856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6,6]	4:3:3:	3:3:3:	3:3:4:4:	Si[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6]-4:C[6]-4:	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	Si[6,6](N[6]C[6a]C[6])2(C[6]C[6]HH)(C[6]N[6]CC)	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>}	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>}	Si[6,6](N[6]C[6a]C[6])2(C[6]C[6]HH)(C[6]N[6]CC){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	127.6490	0.000	1	127.0385	0.745	2	127.0385	0.745	2	127.0385	0.745	2	127.0385	0.745	2	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6,6]	4:3:3:	3:3:3:	3:3:4:4:	Si[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6]-4:C[6]-4:	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	Si[6,6](N[6]C[6a]C[6])2(C[6]C[6]HH)(C[6]N[6]CC)	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>}	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>}	Si[6,6](N[6]C[6a]C[6])2(C[6]C[6]HH)(C[6]N[6]CC){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	126.4280	0.000	1	127.0385	0.745	2	127.0385	0.745	2	127.0385	0.745	2	127.0385	0.745	2	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:2:1:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-2:Cl-1:Cl-1:	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	Si[6](N[6]C[6a]C[6])(N[6]C[6])(Cl)2	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]N[6]N){2|C<4>,3|C<3>}	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>}	Si[6](N[6]C[6a]C[6])(N[6]C[6])(Cl)2{1|N<2>,2|C<3>,2|N<3>}	120.6370	0.000	1	120.6370	0.000	1	120.6370	0.000	1	120.6370	0.000	1	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:2:4:4:	Si[6]-4:C[6a]-3:In[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[6]-2:C-4:C-4:	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	Si[6](N[6]C[6a]In[6])(O[6]Si[6])(CH3)2	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>}	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>}	Si[6](N[6]C[6a]In[6])(O[6]Si[6])(CH3)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>}	123.8435	1.428	2	123.8435	2.038	2	122.8325	2.508	4	122.8325	2.508	4	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:2:4:4:	Si[6]-4:C[6a]-3:In[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[6]-2:C-4:C-4:	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	Si[6](N[6]C[6a]In[6])(O[6]Si[6])(CH3)2	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>}	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>}	Si[6](N[6]C[6a]In[6])(O[6]Si[6])(CH3)2{1|Zn<3>,1|N<3>,2|C<3>,2|C<4>}	121.8215	1.182	2	121.8215	1.396	2	122.8325	2.508	4	122.8325	2.508	4	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:1:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:Br-1:Br-1:	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	Si[6](N[6]C[6a]C[6])(C[6]C[6]H)(Br)2	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>}	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>}	Si[6](N[6]C[6a]C[6])(C[6]C[6]H)(Br)2{1|C<4>,1|N<3>,3|C<3>}	120.7395	1.275	2	120.7395	1.625	2	120.7395	1.625	2	122.3393	4.818	9	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:1:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Br-1:Br-1:	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	Si[6](N[6]C[6a]C[6])2(Br)2	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>}	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>}	Si[6](N[6]C[6a]C[6])2(Br)2{1|C<4>,6|C<3>}	123.9970	3.130	2	122.7115	9.109	4	122.7115	9.109	4	122.3393	4.818	9	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:1:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Br-1:Br-1:	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	Si[6](N[6]C[6a]C[6])2(Br)2	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>}	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>}	Si[6](N[6]C[6a]C[6])2(Br)2{1|C<4>,6|C<3>}	121.4260	3.305	2	122.7115	9.109	4	122.7115	9.109	4	122.3393	4.818	9	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:1:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Cl-1:Cl-1:	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	Si[6](N[6]C[6a]C[6])2(Cl)2	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>}	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>}	Si[6](N[6]C[6a]C[6])2(Cl)2{1|C<4>,6|C<3>}	124.1860	0.000	1	123.4785	1.001	2	123.4785	1.001	2	122.3393	4.818	9	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:1:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Cl-1:Cl-1:	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	Si[6](N[6]C[6a]C[6])2(Cl)2	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>}	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>}	Si[6](N[6]C[6a]C[6])2(Cl)2{1|C<4>,6|C<3>}	122.7710	0.000	1	123.4785	1.001	2	123.4785	1.001	2	122.3393	4.818	9	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:1:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Cl-1:H-1:	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	Si[6](N[6]C[6a]C[6])2(Cl)(H)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(Cl)(H){1|C<4>,2|H<1>,5|C<3>}	121.7720	0.000	1	121.7720	0.000	1	121.7720	0.000	1	122.3393	4.818	9	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:2:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-2:H-1:	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	Si[6](N[6]C[6a]C[6])2(OC)(H)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(OC)(H){1|C<4>,6|C<3>}	120.9730	0.000	1	120.4545	0.538	2	119.9990	0.753	6	119.8330	0.687	8	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:2:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-2:H-1:	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	Si[6](N[6]C[6a]C[6])2(OC)(H)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(OC)(H){1|C<4>,6|C<3>}	119.9360	0.000	1	120.4545	0.538	2	119.9990	0.753	6	119.8330	0.687	8	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:2:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-2:H-1:	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	Si[6](N[6]C[6a]C[6])2(OSi[6])(H)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(OSi[6])(H){1|C<4>,6|C<3>}	119.1120	0.816	2	119.7712	0.869	4	119.9990	0.753	6	119.8330	0.687	8	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:2:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-2:H-1:	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	Si[6](N[6]C[6a]C[6])2(OSi[6])(H)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(OSi[6])(H){1|C<4>,6|C<3>}	120.4305	0.449	2	119.7712	0.869	4	119.9990	0.753	6	119.8330	0.687	8	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:2:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-2:Se-1:	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	Si[6](N[6]C[6a]C[6])2(OH)(Se)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(OH)(Se){2|C<4>,5|C<3>}	119.3350	0.619	2	119.3350	0.384	2	119.3350	0.384	2	119.8330	0.687	8	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:2:2:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Se-2:O-2:	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	Si[6](N[6]C[6a]C[6])2(SeCu)(OCu)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(SeCu)(OCu){2|C<4>,5|C<3>}	118.9315	1.422	2	118.9315	2.022	2	118.9315	2.022	2	118.9315	2.022	2	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C-3:H-1:	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	Si[6](N[6]C[6a]C[6])2(CCP)(H)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(CCP)(H){1|C<4>,6|C<3>}	116.4145	0.043	2	117.9185	3.017	4	117.9185	3.017	4	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C-3:H-1:	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	Si[6](N[6]C[6a]C[6])2(CCP)(H)	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>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|N<3>,3|H<1>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(CCP)(H){1|C<4>,6|C<3>}	119.4225	0.015	2	117.9185	3.017	4	117.9185	3.017	4	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:F-1:	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	Si[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(F)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(F){1|C<4>,2|F<1>,8|C<3>}	119.8830	0.000	1	119.4425	0.388	2	119.4425	0.388	2	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:F-1:	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	Si[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(F)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(F){1|C<4>,2|F<1>,8|C<3>}	119.0020	0.000	1	119.4425	0.388	2	119.4425	0.388	2	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	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	Si[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){1|C<4>,2|F<1>,8|C<3>}	119.9440	0.000	1	119.4825	0.426	2	119.4825	0.426	2	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	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	Si[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	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>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|N<3>,3|H<1>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){1|C<4>,2|F<1>,8|C<3>}	119.0210	0.000	1	119.4825	0.426	2	119.4825	0.426	2	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N-3:Br-1:	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	Si[6](N[6]C[6a]C[6])2(NHH)(Br)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(NHH)(Br){1|C<4>,6|C<3>}	122.0635	0.439	2	121.3972	0.785	4	121.3972	0.785	4	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N-3:Br-1:	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	Si[6](N[6]C[6a]C[6])2(NHH)(Br)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(NHH)(Br){1|C<4>,6|C<3>}	120.7310	0.622	2	121.3972	0.785	4	121.3972	0.785	4	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N-3:H-1:	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	Si[6](N[6]C[6a]C[6])2(NHH)(H)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(NHH)(H){1|C<4>,6|C<3>}	118.0180	0.000	1	117.4625	0.617	2	116.9408	17.412	6	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N-3:H-1:	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	Si[6](N[6]C[6a]C[6])2(NHH)(H)	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>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|N<3>,3|C<3>,3|H<1>}	Si[6](N[6]C[6a]C[6])2(NHH)(H){1|C<4>,6|C<3>}	116.9070	0.000	1	117.4625	0.617	2	116.9408	17.412	6	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N-3:H-1:	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	Si[6](N[6]C[6a]C[6])2(NHN)(H)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(NHN)(H){1|C<4>,6|C<3>}	121.5890	0.000	1	121.2995	0.168	2	116.9408	17.412	6	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N-3:H-1:	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	Si[6](N[6]C[6a]C[6])2(NHN)(H)	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>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|N<3>,3|C<3>,3|H<1>}	Si[6](N[6]C[6a]C[6])2(NHN)(H){1|C<4>,6|C<3>}	121.0100	0.000	1	121.2995	0.168	2	116.9408	17.412	6	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N-3:H-1:	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	Si[6](N[6]C[6a]C[6])2(NCH)(H)	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>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|C<3>,3|H<1>,3|N<3>}	Si[6](N[6]C[6a]C[6])2(NCH)(H){2|N<3>,5|C<3>}	112.0605	0.313	2	112.0605	0.098	2	116.9408	17.412	6	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N[6]-3:O-1:	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	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(O)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(O){1|C<4>,2|H<1>,8|C<3>}	120.3980	0.000	1	120.7615	0.264	2	120.7615	0.264	2	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N[6]-3:O-1:	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	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(O)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(O){1|C<4>,2|H<1>,8|C<3>}	121.1250	0.000	1	120.7615	0.264	2	120.7615	0.264	2	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:P-3:Cl-1:	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	Si[6](N[6]C[6a]C[6])2(PHH)(Cl)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(PHH)(Cl){1|C<4>,6|C<3>}	124.7130	0.000	1	123.4995	2.945	2	123.4995	2.945	2	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:P-3:Cl-1:	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	Si[6](N[6]C[6a]C[6])2(PHH)(Cl)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(PHH)(Cl){1|C<4>,6|C<3>}	122.2860	0.000	1	123.4995	2.945	2	123.4995	2.945	2	119.3309	9.559	22	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:2:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N[6]-3:O-2:	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	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(OZn)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(OZn){1|C<4>,2|H<1>,8|C<3>}	119.4190	0.000	1	119.9685	0.604	2	119.9685	0.604	2	119.9685	0.604	2	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:2:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N[6]-3:O-2:	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	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(OZn)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(OZn){1|C<4>,2|H<1>,8|C<3>}	120.5180	0.000	1	119.9685	0.604	2	119.9685	0.604	2	119.9685	0.604	2	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-3:N-3:	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	Si[6](C[6a]C[6a]N[6a])(N[6]C[6a]C[6])2(NHH)	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>}	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>}	Si[6](C[6a]C[6a]N[6a])(N[6]C[6a]C[6])2(NHH){1|C<4>,1|H<1>,8|C<3>}	121.9625	2.357	2	120.6135	4.279	4	120.6135	4.279	4	121.8553	5.489	10	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:N[6]-3:N-3:	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	Si[6](C[6a]C[6a]N[6a])(N[6]C[6a]C[6])2(NHH)	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>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,4|C<3>}	Si[6](C[6a]C[6a]N[6a])(N[6]C[6a]C[6])2(NHH){1|C<4>,1|H<1>,8|C<3>}	119.2645	0.050	2	120.6135	4.279	4	120.6135	4.279	4	121.8553	5.489	10	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N-3:N-3:	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	Si[6](N[6]C[6a]C[6])2(NHH)2	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>}	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>}	Si[6](N[6]C[6a]C[6])2(NHH)2{1|C<4>,6|C<3>}	124.8200	0.000	1	122.2570	13.138	2	122.2570	13.138	2	121.8553	5.489	10	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N-3:N-3:	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	Si[6](N[6]C[6a]C[6])2(NHH)2	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>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|H<1>,3|C<3>,3|N<3>}	Si[6](N[6]C[6a]C[6])2(NHH)2{1|C<4>,6|C<3>}	119.6940	0.000	1	122.2570	13.138	2	122.2570	13.138	2	121.8553	5.489	10	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N[6]-3:P-3:	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	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PCrH)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PCrH){1|C<4>,2|H<1>,8|C<3>}	122.5690	0.000	1	121.5220	2.192	2	121.5220	2.192	2	121.8553	5.489	10	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N[6]-3:P-3:	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	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PCrH)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PCrH){1|C<4>,2|H<1>,8|C<3>}	120.4750	0.000	1	121.5220	2.192	2	121.5220	2.192	2	121.8553	5.489	10	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:P-3:P-3:	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	Si[6](N[6]C[6a]C[6])2(PHH)2	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>}	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>}	Si[6](N[6]C[6a]C[6])2(PHH)2{1|C<4>,6|C<3>}	125.4660	0.000	1	124.2705	2.858	2	124.2705	2.858	2	121.8553	5.489	10	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:P-3:P-3:	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	Si[6](N[6]C[6a]C[6])2(PHH)2	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>}	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>}	Si[6](N[6]C[6a]C[6])2(PHH)2{1|C<4>,6|C<3>}	123.0750	0.000	1	124.2705	2.858	2	124.2705	2.858	2	121.8553	5.489	10	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:4:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C-4:Br-1:	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	Si[6](N[6]C[6a]C[6])2(CC[6a]HH)(Br)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(CC[6a]HH)(Br){1|C<4>,6|C<3>}	125.0920	0.000	1	124.8880	0.083	2	124.8880	0.083	2	122.3937	5.724	6	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:4:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C-4:Br-1:	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	Si[6](N[6]C[6a]C[6])2(CC[6a]HH)(Br)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(CC[6a]HH)(Br){1|C<4>,6|C<3>}	124.6840	0.000	1	124.8880	0.083	2	124.8880	0.083	2	122.3937	5.724	6	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:4:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C-4:Cl-1:	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	Si[6](N[6]C[6a]C[6])2(CClHH)(Cl)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(CClHH)(Cl){1|C<4>,6|C<3>}	122.4410	0.000	1	122.6240	0.067	2	122.6240	0.067	2	122.3937	5.724	6	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:4:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C-4:Cl-1:	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	Si[6](N[6]C[6a]C[6])2(CClHH)(Cl)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(CClHH)(Cl){1|C<4>,6|C<3>}	122.8070	0.000	1	122.6240	0.067	2	122.6240	0.067	2	122.3937	5.724	6	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:4:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Si-4:Cl-1:	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	Si[6](N[6]C[6a]C[6])2(SiCl2H)(Cl)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(SiCl2H)(Cl){1|C<4>,6|C<3>}	120.4020	0.000	1	119.6690	1.075	2	119.6690	1.075	2	122.3937	5.724	6	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:4:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Si-4:Cl-1:	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	Si[6](N[6]C[6a]C[6])2(SiCl2H)(Cl)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(SiCl2H)(Cl){1|C<4>,6|C<3>}	118.9360	0.000	1	119.6690	1.075	2	119.6690	1.075	2	122.3937	5.724	6	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:4:2:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Si-4:O-2:	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	Si[6](N[6]C[6a]C[6])2(SiC3)(OS)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(SiC3)(OS){1|C<4>,6|C<3>}	127.0320	0.000	1	125.3325	5.777	2	125.3325	5.777	2	125.3325	5.777	2	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:3:4:2:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Si-4:O-2:	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	Si[6](N[6]C[6a]C[6])2(SiC3)(OS)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(SiC3)(OS){1|C<4>,6|C<3>}	123.6330	0.000	1	125.3325	5.777	2	125.3325	5.777	2	125.3325	5.777	2	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:4:	3:3:3:	3:3:1:1:	Si[6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Cl-1:H-1:	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	Si[6](N[6]C[6a]C[6])2(Cl)(H)	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>}	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>}	Si[6](N[6]C[6a]C[6])2(Cl)(H){1|C<4>,2|H<1>,5|C<3>}	114.8610	0.000	1	114.8610	0.000	1	114.8610	0.000	1	114.8610	0.000	1	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:4:3:	3:3:3:	3:3:2:2:	Si[6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:O[6]-2:O-2:	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)	Si[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC[6a])	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>}	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>}	Si[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC[6a]){1|C<2>,3|H<1>,6|C<3>}	116.7730	0.000	1	117.3300	0.620	2	117.3300	0.620	2	117.3300	0.620	2	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP2_SP2_SP3	N[6]	C[6a]	Si[6]	4:4:3:	3:3:3:	3:3:2:2:	Si[6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:O[6]-2:O-2:	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)	Si[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC[6a])	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>}	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>}	Si[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC[6a]){1|C<4>,3|H<1>,6|C<3>}	117.8870	0.000	1	117.3300	0.620	2	117.3300	0.620	2	117.3300	0.620	2	120.6937	8.322	69	120.8724	9.213	71
856	643	658	0:SP3_SP2_SP3	N[6,6]	C[6a]	Si[6,6]	4:3:3:	3:3:3:	3:4:4:4:	Si[6,6]-4:B[3x6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C-4:C-4:	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	Si[6,6](N[6,6]B[3x6]C[6a])(C[3x6]Si[6,6]2H)(CH3)2	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>}	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>}	Si[6,6](N[6,6]B[3x6]C[6a])(C[3x6]Si[6,6]2H)(CH3)2{2|C<3>,2|N<3>,4|C<4>}	122.6573	1.464	3	122.6573	2.143	3	122.6573	2.143	3	122.6573	2.143	3	122.6573	2.143	3	122.1815	2.334	4
856	643	658	0:SP3_SP2_SP3	N[6]	C[6a]	Si[6]	4:3:3:	3:3:3:	3:2:1:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-2:Cl-1:Cl-1:	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	Si[6](N[6]C[6a]C[6])(N[6]C[6])(Cl)2	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]N[6]N){2|C<4>,3|C<3>}	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>}	Si[6](N[6]C[6a]C[6])(N[6]C[6])(Cl)2{1|N<2>,2|C<3>,2|N<3>}	120.7540	0.000	1	120.7540	0.000	1	120.7540	0.000	1	120.7540	0.000	1	120.7540	0.000	1	122.1815	2.334	4
856	643	658	6:SP2_SP2_SP3	N[6]	C[6,6a]	Si[6]	3:4:4:	3:3:3:	4:3:4:1:	C[6,6a]-3:Si[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	Si[5]-4:N[6]-3:C[6]-4:Cl-1:	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)	Si[6](Si[5]N[5]2Cl)(N[6]C[6,6a]C)(C[6]N[6]CC)(Cl)	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>}	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>}	Si[6](Si[5]N[5]2Cl)(N[6]C[6,6a]C)(C[6]N[6]CC)(Cl){3|C<4>,4|C<3>}	118.1240	0.000	1	118.1240	0.000	1	118.1240	0.000	1	118.1240	0.000	1	118.1240	0.000	1	118.1240	0.000	1
856	643	679	0:SP2_SP2_SP3	N[6]	C[6a]	B[5a,6]	4:3:3:	3:3:3:	3:2:2:2:	B[5a,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[5a]-2:O[5a]-2:O[6]-2:	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	B[5a,6](N[6]C[6a]C[6])(O[5a]C[5a,6a])2(O[6]C[6,6a])	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>}	C[6a](N[6]B[5a,6]C[6])(C[6a]C[6a]C)2{2|C<3>,3|H<1>,3|O<2>}	B[5a,6](N[6]C[6a]C[6])(O[5a]C[5a,6a])2(O[6]C[6,6a]){1|H<1>,6|C<3>}	117.7020	0.000	1	117.7020	0.000	1	117.7020	0.000	1	117.7020	0.000	1	119.9095	9.351	4	119.9095	9.351	4
856	643	679	0:SP2_SP2_SP3	N[6]	C[6a]	B[5a,6]	4:3:3:	3:3:3:	3:3:2:1:	B[5a,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:O[5a]-2:F-1:	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	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F)	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>}	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>}	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F){2|C<4>,5|C<3>}	116.9380	0.000	1	116.9380	0.000	1	116.9380	0.000	1	116.9380	0.000	1	119.9095	9.351	4	119.9095	9.351	4
856	643	679	0:SP2_SP2_SP3	N[6]	C[6a]	B[5a,6]	4:3:3:	3:3:3:	3:3:2:2:	B[5a,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:O[5a]-2:O-2:	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)	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6])	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>}	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>}	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6]){2|C<4>,5|C<3>}	122.4990	0.969	2	122.4990	0.938	2	122.4990	0.938	2	122.4990	0.938	2	119.9095	9.351	4	119.9095	9.351	4
856	643	722	0:SP2_SP2_SPD5	N[6]	C[6a]	Si[4,6]	5:3:3:	3:3:3:	3:3:3:1:1:	Si[4,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[4,6]-3:N[4,6]-3:N[6]-3:F-1:F-1:	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	Si[4,6](N[4,6]Si[4,6]C[6])2(N[6]C[6a]C[6])(F)2	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>}	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>}	Si[4,6](N[4,6]Si[4,6]C[6])2(N[6]C[6a]C[6])(F)2{2|C<3>,2|F<1>,2|N<2>,4|N<3>}	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1
856	643	727	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[5a]-3:S[5a]-2:	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)	C[5a](N[6]C[6,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	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>}	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[5a](N[6]C[6,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	118.3135	1.200	4	118.3135	1.441	4	118.3135	1.441	4	118.3135	1.441	4	118.3135	1.441	4	119.0558	3.560	25
856	643	727	0:SP2_SP2_SP2	N[6]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:N[5a]-2:	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)	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6a])(N[5a]O[5a])	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>}	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[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6a])(N[5a]O[5a]){1|N<2>,4|C<3>}	122.6995	0.206	2	122.6995	0.042	2	122.6995	0.042	2	120.7903	10.956	3	119.1972	3.925	21	119.0558	3.560	25
856	643	727	0:SP2_SP2_SP2	N[6]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:S[5a]-2:	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	C[5a,6](C[5a,6]C[5a,6a]S[6])(N[6]C[5a,6]C[6a])(S[5a]C[5a,6a])	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>}	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]S[6])(N[6]C[5a,6]C[6a])(S[5a]C[5a,6a]){6|C<3>}	116.9720	0.000	1	116.9720	0.000	1	116.9720	0.000	1	120.7903	10.956	3	119.1972	3.925	21	119.0558	3.560	25
856	643	727	0:SP2_SP2_SP2	N[6]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C[5a]-3:	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	C[5a,6](C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])(C[5a]C[5a]H)	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>}	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6](C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	120.3410	2.355	4	120.3410	5.548	4	120.3410	5.548	4	119.8128	4.964	6	119.1972	3.925	21	119.0558	3.560	25
856	643	727	0:SP2_SP2_SP2	N[6]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-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)	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)2	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])	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>}	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a]){1|H<1>,1|S<2>,5|C<3>}	117.2030	0.000	1	117.2030	0.000	1	117.2030	0.000	1	119.8128	4.964	6	119.1972	3.925	21	119.0558	3.560	25
856	643	727	0:SP2_SP2_SP2	N[6]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	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	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6a]C[6])	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>}	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[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6a]C[6]){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	120.3100	0.000	1	120.3100	0.000	1	120.3100	0.000	1	119.8128	4.964	6	119.1972	3.925	21	119.0558	3.560	25
856	643	727	0:SP2_SP2_SP2	N[6]	C[6a]	C[5a,6]	3:4:3:	3:3:3:	3:3:2:	C[5a,6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:S[5a]-2:	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	C[5a,6](C[5a,6]C[6,6]N[5a])(N[6]C[6a]B[6])(S[5a]C[5a])	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>}	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[5a,6](C[5a,6]C[6,6]N[5a])(N[6]C[6a]B[6])(S[5a]C[5a]){1|N<3>,2|F<1>,4|C<3>}	119.5480	0.000	1	119.5480	0.000	1	119.5480	0.000	1	119.5480	0.000	1	119.1972	3.925	21	119.0558	3.560	25
856	643	727	0:SP2_SP2_SP2	N[6]	C[6a]	C[5a,6]	3:4:3:	3:3:3:	3:3:3:	C[5a,6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	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)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6])	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>}	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[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	121.4430	0.000	1	121.4430	0.000	1	118.4982	1.501	10	118.3951	1.467	11	119.1972	3.925	21	119.0558	3.560	25
856	643	727	0:SP2_SP2_SP2	N[6]	C[6a]	C[5a,6]	3:4:3:	3:3:3:	3:3:3:	C[5a,6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	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	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6])	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>}	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[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	117.8285	0.416	4	117.8621	0.130	7	118.4982	1.501	10	118.3951	1.467	11	119.1972	3.925	21	119.0558	3.560	25
856	643	727	0:SP2_SP2_SP2	N[6]	C[6a]	C[5a,6]	3:4:3:	3:3:3:	3:3:3:	C[5a,6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	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	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6])	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>}	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[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6]){1|Pd<4>,1|H<1>,1|N<3>,2|F<1>,5|C<3>}	117.9070	0.352	3	117.8621	0.130	7	118.4982	1.501	10	118.3951	1.467	11	119.1972	3.925	21	119.0558	3.560	25
856	643	727	0:SP2_SP2_SP2	N[6]	C[6a]	C[5a,6]	3:4:3:	3:3:3:	3:3:3:	C[5a,6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	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	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6])	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>}	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[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	119.2520	0.294	2	119.2520	0.087	2	118.4982	1.501	10	118.3951	1.467	11	119.1972	3.925	21	119.0558	3.560	25
856	643	727	0:SP2_SP2_SP2	N[6]	C[6a]	C[5a,6]	3:4:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	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	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6])	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>}	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[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,7|C<3>}	117.3640	0.000	1	117.3640	0.000	1	117.3640	0.000	1	118.3951	1.467	11	119.1972	3.925	21	119.0558	3.560	25
856	643	727	0:SP3_SP2_SP2	N[6]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C[5a]-3:	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	C[5a,6](C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])(C[5a]C[5a]H)	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>}	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6](C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	118.2920	0.508	2	118.2920	0.258	2	118.2920	0.258	2	118.6412	0.294	4	118.0280	2.101	5	118.0280	2.101	5
856	643	727	0:SP3_SP2_SP2	N[6]	C[6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	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	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])	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>}	C[6a](N[6]C[5a,6]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a]){1|H<1>,6|C<3>}	118.9905	0.371	2	118.9905	0.138	2	118.9905	0.138	2	118.6412	0.294	4	118.0280	2.101	5	118.0280	2.101	5
856	643	727	0:SP3_SP2_SP2	N[6]	C[6a]	C[5a,6]	3:4:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	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	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6])	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>}	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[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,7|C<3>}	115.5750	0.000	1	115.5750	0.000	1	115.5750	0.000	1	115.5750	0.000	1	118.0280	2.101	5	118.0280	2.101	5
856	643	727	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[5a,6,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6,6]-3:C[6,6a]-3:C[6]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[5a,6]-3:N[5a,6]-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)	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[5a,6,6](N[6,6]C[6,6a]C[6])(C[5a,6]C[5a]C[6])(N[5a,6]N[5a]C[6])	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>}	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[5a,6,6](N[6,6]C[6,6a]C[6])(C[5a,6]C[5a]C[6])(N[5a,6]N[5a]C[6]){1|C<4>,1|O<1>,1|P<4>,2|C<3>,4|H<1>}	114.4865	0.687	2	114.4865	0.471	2	114.4865	0.471	2	114.4865	0.471	2	114.4865	0.471	2	117.8951	11.098	11
856	643	727	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5a,6]	3:3:1:	3:2:3:	3:3:2:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[5a,6a])(N[6]C[5a,6]H)	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[6,6a]H)(N[5a]O[5a])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(H){1|C<3>,1|N<3>,1|O<2>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[5a,6a])(N[6]C[5a,6]H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[6,6a]H)(N[5a]O[5a]){1|C<3>,1|N<2>}	119.0480	0.000	1	119.0480	0.000	1	119.0480	0.000	1	119.0480	0.000	1	118.6526	10.263	9	117.8951	11.098	11
856	643	727	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5a,6]	3:3:1:	3:3:3:	3:3:2:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[5a,6]-3:N[6]-3:O[5a]-2:	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)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6a]H)(O[5a]N[5a])	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>}	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[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6a]H)(O[5a]N[5a]){1|N<3>,4|C<3>}	113.6870	0.000	1	113.6870	0.000	1	113.6870	0.000	1	113.6870	0.000	1	118.6526	10.263	9	117.8951	11.098	11
856	643	727	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C[5a]-3:	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)	C[5a,6](C[5a,6]N[5a]C[6])(N[6]C[6,6a]H)(C[5a]C[5a]H)	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>}	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[5a,6](C[5a,6]N[5a]C[6])(N[6]C[6,6a]H)(C[5a]C[5a]H){1|Ni<4>,4|C<3>}	121.5190	0.000	1	121.5190	0.000	1	121.5190	0.000	1	120.3162	5.727	4	118.6526	10.263	9	117.8951	11.098	11
856	643	727	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6]-3:N[6]-3:	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)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(N[6]C[6,6a]H)	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>}	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[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(N[6]C[6,6a]H){1|H<1>,1|O<1>,5|C<3>}	116.7430	0.000	1	116.7430	0.000	1	116.7430	0.000	1	120.3162	5.727	4	118.6526	10.263	9	117.8951	11.098	11
856	643	727	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-3:	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)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(N[6]C[6,6a]H)	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>}	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[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(N[6]C[6,6a]H){1|N<3>,2|H<1>,5|C<3>}	121.5015	0.395	2	121.5015	0.156	2	121.5015	0.156	2	120.3162	5.727	4	118.6526	10.263	9	117.8951	11.098	11
856	643	727	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	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)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]C[6,6a]C)	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>}	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[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]C[6,6a]C){1|C<4>,1|H<1>,4|C<3>}	119.0240	0.000	1	119.0240	0.000	1	119.0240	0.000	1	117.9577	13.795	3	118.6526	10.263	9	117.8951	11.098	11
856	643	727	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-3:	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)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(N[6]C[6,6a]C)	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>}	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[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(N[6]C[6,6a]C){1|O<1>,4|C<3>}	121.0220	0.000	1	121.0220	0.000	1	121.0220	0.000	1	117.9577	13.795	3	118.6526	10.263	9	117.8951	11.098	11
856	643	727	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5a,6]	3:3:4:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:S-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	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)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(N[6]C[6,6a]S)	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>}	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[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(N[6]C[6,6a]S){1|C<4>,1|H<1>,4|C<3>}	113.8270	0.000	1	113.8270	0.000	1	113.8270	0.000	1	117.9577	13.795	3	118.6526	10.263	9	117.8951	11.098	11
856	643	727	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	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)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6a]H)	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>}	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[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6a]H){3|H<1>,4|C<3>}	116.8160	0.000	1	116.8160	0.000	1	116.8160	0.000	1	118.9370	8.997	2	118.9370	8.997	2	118.9370	8.997	2
856	643	727	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[5a,6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[5a,6]-3:C[5a]-3:N[6]-3:	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)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(N[6]C[6,6a]H)	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>}	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[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(N[6]C[6,6a]H){1|N<3>,2|H<1>,5|C<3>}	121.0580	0.000	1	121.0580	0.000	1	121.0580	0.000	1	118.9370	8.997	2	118.9370	8.997	2	118.9370	8.997	2
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6,6]-3:C[6]-4:	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)	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	122.9800	0.000	2	122.9800	0.000	2	122.9800	0.000	2	122.9800	0.000	2	122.9800	0.000	2	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a,6a]-3:N[6,6]-3:O[6a]-2:	N[6,6]-3:C[6]-3:C[6a]-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])	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](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]C[6a])(C[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]){9|C<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]){8|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	118.5590	0.000	1	118.5590	0.000	1	118.5590	0.000	1	118.5590	0.000	1	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:H-1:	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)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	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>}	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](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.9440	0.000	1	119.9440	0.000	1	120.3680	0.360	2	120.3680	0.360	2	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-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)	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](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	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>}	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](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.7920	0.000	1	120.7920	0.000	1	120.3680	0.360	2	120.3680	0.360	2	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6,6]-3:C[6]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6]-3:N-2:	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)	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]C[6]C)(NH)	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>}	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](N[6,6]C[5,6,6]C[6,6a])(C[6]C[6]C)(NH){5|C<3>}	126.4427	0.186	3	126.4427	0.034	3	126.4427	0.034	3	126.4427	0.034	3	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6,6]-3:C[6,6a]-3:C[6]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6]-4:O-1:	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)	C[6](N[6,6]C[5a,6,6]C[6,6a])(C[6]C[6]HH)(O)	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>}	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](N[6,6]C[5a,6,6]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,2|H<1>,3|C<3>}	126.5725	0.149	2	126.5725	0.022	2	126.5725	0.022	2	126.5725	0.022	2	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[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){1|N<3>,3|H<1>,6|C<3>}	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](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,3|H<1>,6|C<3>}	120.6965	1.995	2	120.6965	3.979	2	120.6965	3.979	2	120.6965	3.979	2	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:2:4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:N[6]-2:C[3]-4:	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)	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(C[3]C[3]2H)	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>}	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](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(C[3]C[3]2H){1|N<3>,4|C<3>,5|H<1>}	124.9860	0.000	1	124.9860	0.000	1	124.9860	0.000	1	124.9860	0.000	1	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]S[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	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](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.3370	0.049	2	121.3370	0.002	2	121.3370	0.002	2	121.3370	0.002	2	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6a]-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])	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](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]I)(C[6a]C[6a]2)	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>}	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](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]I)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	121.6480	0.000	1	121.6480	0.000	1	123.4025	6.157	2	122.4986	6.229	5	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6a]-3:	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)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	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>}	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](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	125.1570	0.000	1	125.1570	0.000	1	123.4025	6.157	2	122.4986	6.229	5	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]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]){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	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](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	118.6730	0.000	1	118.6730	0.000	1	121.8960	8.018	3	122.4986	6.229	5	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6]-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])	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](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)	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>}	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](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<2>,1|C<4>,1|O<2>,3|H<1>,5|C<3>}	123.9840	0.000	1	123.9840	0.000	1	121.8960	8.018	3	122.4986	6.229	5	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6]-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])	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](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(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]){1|C<4>,3|H<1>,5|C<3>}	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](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	123.0310	0.000	1	123.0310	0.000	1	121.8960	8.018	3	122.4986	6.229	5	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-4:O-1:	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)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O)	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>}	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](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O){1|O<2>,2|C<4>,3|C<3>}	120.3150	0.000	1	120.6525	0.228	2	120.5670	0.355	4	120.5670	0.355	4	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-4:O-1:	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)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O)	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>}	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](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O){1|O<2>,2|C<4>,3|C<3>}	120.9900	0.000	1	120.6525	0.228	2	120.5670	0.355	4	120.5670	0.355	4	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-4:O-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)	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](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O)	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>}	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](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	121.1170	0.000	1	121.1170	0.000	1	120.5670	0.355	4	120.5670	0.355	4	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-4:O-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)	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](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(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){1|C<4>,4|C<3>,4|H<1>}	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](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.8460	0.000	1	119.8460	0.000	1	120.5670	0.355	4	120.5670	0.355	4	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:5:3:	3:3:3:	3:3:4:	C[6,6a]-3:Nb[6,6]-5:C[6]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C-4:	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)	C[6](N[6,6]C[6,6a]Nb[6,6])(C[6]C[6]H)(CH3)	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>}	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](N[6,6]C[6,6a]Nb[6,6])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	118.4540	2.232	2	118.4540	4.980	2	118.4540	4.980	2	118.4540	4.980	2	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[3,6,6]-4:C[6,6a]-3:C[6]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6]-4:O-1:	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)	C[6](N[6,6]C[3,6,6]C[6,6a])(C[6]N[6]HH)(O)	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>}	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](N[6,6]C[3,6,6]C[6,6a])(C[6]N[6]HH)(O){1|O<2>,2|C<4>,3|C<3>}	120.7960	0.382	3	120.7960	0.146	3	120.7960	0.146	3	120.1903	1.792	6	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[5,6]-4:O-1:	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)	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O)	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>}	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[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	117.5170	0.000	1	117.5170	0.000	1	117.5170	0.000	1	120.1903	1.792	6	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[5,6]-4:O-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)	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](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O)	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>}	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](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	120.4570	0.000	1	120.4570	0.000	1	120.4570	0.000	1	120.1903	1.792	6	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6]-4:O-1:	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)	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]N[6]HH)(O)	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>}	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](N[6,6]C[5,6,6]C[6,6a])(C[6]N[6]HH)(O){1|N<3>,2|C<4>,3|C<3>}	120.7800	0.000	1	120.7800	0.000	1	120.7800	0.000	1	120.1903	1.792	6	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6]	4:3:3:	3:3:3:	4:3:1:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[5,6,6]-4:N[6,6]-3:O-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)	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](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6,6]C[6,6a]C[6,6])(O)	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>}	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](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6,6]C[6,6a]C[6,6])(O){3|C<3>,3|H<1>,4|C<4>}	123.0970	0.000	1	123.0970	0.000	1	123.0970	0.000	1	123.0970	0.000	1	121.8300	7.677	31	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:1:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:H-1:	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	C[6,6](N[6,6]P[4,6,6]C[6a])2(H)	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>}	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[6,6](N[6,6]P[4,6,6]C[6a])2(H){2|N<3>,4|C<3>}	121.4885	0.446	2	119.6243	3.588	8	119.6243	3.588	8	119.6243	3.588	8	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:1:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:H-1:	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	C[6,6](N[6,6]P[4,6,6]C[6a])2(H)	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>}	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[6,6](N[6,6]P[4,6,6]C[6a])2(H){2|N<3>,4|C<3>}	119.0028	1.769	6	119.6243	3.588	8	119.6243	3.588	8	119.6243	3.588	8	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:4:1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:C[4,6,6]-4:O-1:	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	C[6,6](N[6,6]C[6,6]C[6a])(C[4,6,6]C[4,6]2C)(O)	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>}	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[6,6](N[6,6]C[6,6]C[6a])(C[4,6,6]C[4,6]2C)(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	120.1820	0.000	1	120.1820	0.000	1	120.1820	0.000	1	120.1820	0.000	1	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C-3:	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	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH)	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>}	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[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	118.2840	0.000	1	117.0160	3.216	2	117.0160	3.216	2	117.0160	3.216	2	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C-3:	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	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH)	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>}	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[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH){1|C<4>,1|N<3>,4|C<3>}	115.7480	0.000	1	117.0160	3.216	2	117.0160	3.216	2	117.0160	3.216	2	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:4:4:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C-4:	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	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3)	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>}	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[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3){1|H<1>,1|N<3>,4|C<3>}	120.1020	0.000	1	120.5710	0.440	2	120.5710	0.440	2	120.5710	0.440	2	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:4:4:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C-4:	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	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3)	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>}	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[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CH3){1|N<3>,5|C<3>}	121.0400	0.000	1	120.5710	0.440	2	120.5710	0.440	2	120.5710	0.440	2	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[4,6,6]-4:N[6,6]-3:O-1:	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)	C[6,6](C[4,6,6]C[4,6]O[4,6]C)(N[6,6]C[6,6]C[6a])(O)	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>}	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[6,6](C[4,6,6]C[4,6]O[4,6]C)(N[6,6]C[6,6]C[6a])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.3090	1.212	2	118.7860	1.555	3	119.2750	1.087	7	119.2750	1.087	7	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[4,6,6]-4:N[6,6]-3:O-1:	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)	C[6,6](C[4,6,6]C[4,6]O[4,6]C)(N[6,6]C[6,6]C[6a])(O)	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>}	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[6,6](C[4,6,6]C[4,6]O[4,6]C)(N[6,6]C[6,6]C[6a])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	117.7400	0.000	1	118.7860	1.555	3	119.2750	1.087	7	119.2750	1.087	7	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[4,6,6]-4:N[6,6]-3:O-1:	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)	C[6,6](C[4,6,6]C[4,6]O[4,6]C[6a])(N[6,6]C[6,6]C[6a])(O)	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>}	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[6,6](C[4,6,6]C[4,6]O[4,6]C[6a])(N[6,6]C[6,6]C[6a])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	119.5875	0.811	2	119.9110	0.643	3	119.2750	1.087	7	119.2750	1.087	7	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[4,6,6]-4:N[6,6]-3:O-1:	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)	C[6,6](C[4,6,6]C[4,6]O[4,6]C[6a])(N[6,6]C[6,6]C[6a])(O)	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>}	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[6,6](C[4,6,6]C[4,6]O[4,6]C[6a])(N[6,6]C[6,6]C[6a])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	120.5580	0.000	1	119.9110	0.643	3	119.2750	1.087	7	119.2750	1.087	7	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[4,6,6]-4:N[6,6]-3:O-1:	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	C[6,6](C[4,6,6]C[4,6]2C[6a])(N[6,6]C[6,6]C[6a])(O)	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>}	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[6,6](C[4,6,6]C[4,6]2C[6a])(N[6,6]C[6,6]C[6a])(O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	118.8340	0.000	1	118.8340	0.000	1	119.2750	1.087	7	119.2750	1.087	7	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	4:3:3:	3:3:3:	3:4:1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:Se-1:	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	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(Se)	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>}	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[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(Se){2|C<3>,3|H<1>,4|C<4>}	122.5130	0.000	1	122.5130	0.000	1	122.5130	0.000	1	122.5130	0.000	1	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	4:3:3:	3:3:3:	3:4:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:B-4:	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	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BBr3)	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>}	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[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BBr3){2|C<3>,3|H<1>,4|C<4>}	125.6965	0.197	2	125.6965	0.039	2	125.1149	0.581	8	125.1149	0.581	8	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	4:3:3:	3:3:3:	3:4:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:B-4:	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	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BCl3)	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>}	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[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BCl3){2|C<3>,3|H<1>,4|C<4>}	125.3125	0.465	2	125.3125	0.216	2	125.1149	0.581	8	125.1149	0.581	8	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	4:3:3:	3:3:3:	3:4:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:B-4:	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	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BF3)	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>}	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[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BF3){2|C<3>,3|H<1>,4|C<4>}	125.1630	0.274	3	125.1630	0.075	3	125.1149	0.581	8	125.1149	0.581	8	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	4:3:3:	3:3:3:	3:4:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:B-4:	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	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BH3)	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>}	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[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(BH3){2|C<3>,3|H<1>,4|C<4>}	123.4120	0.000	1	123.4120	0.000	1	125.1149	0.581	8	125.1149	0.581	8	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	4:3:3:	3:3:3:	4:3:1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:O-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)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O)	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>}	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[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	123.7210	0.533	2	124.0657	0.499	3	124.0657	0.499	3	124.0657	0.499	3	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6,6]	C[6a]	C[6,6]	4:3:3:	3:3:3:	4:3:1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:O-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)	C[6a](N[6,6]C[3x6]C[6,6])(C[6a]C[6a]H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O)	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>}	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[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	124.7550	0.000	1	124.0657	0.499	3	124.0657	0.499	3	124.0657	0.499	3	121.3407	8.753	32	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6]-3:	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)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]2)(C[6]C[6]H)	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>}	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](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]2)(C[6]C[6]H){1|H<1>,1|N<3>,6|C<3>}	119.2780	0.767	2	119.2780	0.588	2	119.2780	0.588	2	119.2780	0.588	2	119.2780	0.588	2	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:2:	3:3:2:	3:3:3:	C[6,6]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:N[6a]-2:	C[6,6]-3:N[6]-3:C[6]-3:	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])	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(C[6]C[6,6a]O)	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>}	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[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,5|C<3>}	124.7190	0.000	1	124.7190	0.000	1	124.7190	0.000	1	124.7190	0.000	1	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6]-3:C[6a]-3:Ge[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-3:	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	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]H)	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>}	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[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.5810	0.000	1	117.5810	0.000	1	117.5810	0.000	1	117.5810	0.000	1	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6]-3:C[6a]-3:Ge[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	119.9320	0.000	1	119.9320	0.000	1	119.9320	0.000	1	119.9320	0.000	1	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	120.1040	0.000	1	122.1282	2.380	4	121.9234	1.527	7	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	121.8730	0.000	1	122.1282	2.380	4	121.9234	1.527	7	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	123.7040	0.000	1	122.1282	2.380	4	121.9234	1.527	7	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	122.8320	0.000	1	122.1282	2.380	4	121.9234	1.527	7	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	120.6350	0.000	1	121.6503	0.815	3	121.9234	1.527	7	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	121.9530	0.000	1	121.6503	0.815	3	121.9234	1.527	7	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,4|C<4>,5|C<3>}	122.3630	0.000	1	121.6503	0.815	3	121.9234	1.527	7	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	119.4995	1.418	2	119.4995	2.010	2	119.7001	0.445	28	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	119.2630	0.000	1	119.6744	0.368	25	119.7001	0.445	28	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	119.7070	1.245	2	119.6744	0.368	25	119.7001	0.445	28	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,5|C<4>}	119.7097	0.424	4	119.6744	0.368	25	119.7001	0.445	28	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	119.6609	0.620	12	119.6744	0.368	25	119.7001	0.445	28	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	119.8695	0.262	2	119.6744	0.368	25	119.7001	0.445	28	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	119.6685	0.852	4	119.6744	0.368	25	119.7001	0.445	28	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]S[6]HH)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2){2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]S[6]HH){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	120.7440	0.000	1	120.7440	0.000	1	119.7001	0.445	28	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6]-3:N[6]-3:C[6]-4:	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	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[6a]C[6])(C[6]C[6]HH)	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>}	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[6,6](C[6,6]C[5,6]C[6])(N[6]C[6a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,5|C<3>}	121.0297	2.026	3	121.0297	4.106	3	121.0297	4.106	3	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	121.0685	0.446	2	120.7857	0.340	3	121.0015	0.348	6	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	120.2200	0.000	1	120.7857	0.340	3	121.0015	0.348	6	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,2|O<1>,3|C<3>,4|C<4>}	121.4120	0.000	1	121.2173	0.390	3	121.0015	0.348	6	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	121.1200	0.850	2	121.2173	0.390	3	121.0015	0.348	6	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.2740	0.000	1	120.2740	0.000	1	120.2343	0.002	3	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	120.1880	0.000	1	120.1880	0.000	1	120.2343	0.002	3	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	120.2410	0.000	1	120.2410	0.000	1	120.2343	0.002	3	120.3163	1.396	47	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:3:	3:3:3:	4:3:2:	C[6,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[3x6]-4:N[6]-3:N[6]-2:	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	C[6,6](C[3x6]C[6,6]2C)(N[6]C[6a]C[6])(N[6]C[6])	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>}	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[6,6](C[3x6]C[6,6]2C)(N[6]C[6a]C[6])(N[6]C[6]){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	117.5300	0.000	1	117.5300	0.000	1	117.5300	0.000	1	117.5300	0.000	1	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:4:	3:3:2:	3:3:2:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:N[6,6]-3:N[6]-2:	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])	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6])	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>}	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[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]){1|C<3>,1|N<2>,2|C<4>,8|H<1>}	121.1060	0.000	1	122.4608	1.758	5	122.4608	1.758	5	122.4608	1.758	5	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:4:	3:3:2:	3:3:2:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:N[6,6]-3:N[6]-2:	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])	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6])	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>}	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[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]){1|C<3>,1|N<2>,2|C<4>,8|H<1>}	122.7003	1.520	3	122.4608	1.758	5	122.4608	1.758	5	122.4608	1.758	5	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:4:	3:3:2:	3:3:2:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:N[6,6]-3:N[6]-2:	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])	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6])	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>}	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[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]){1|C<3>,1|N<2>,2|C<4>,8|H<1>}	123.0970	0.000	1	122.4608	1.758	5	122.4608	1.758	5	122.4608	1.758	5	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:4:	3:3:2:	3:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:N[6,6]-3:N[6]-3:	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])	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]H)	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>}	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[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]H){1|C<3>,1|N<2>,2|C<4>,8|H<1>}	122.9865	0.293	2	122.9143	0.059	3	122.9143	0.059	3	122.9143	0.059	3	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:4:	3:3:2:	3:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:N[6,6]-3:N[6]-3:	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])	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]H)	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>}	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[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]H){1|C<3>,1|N<2>,2|C<4>,8|H<1>}	122.7700	0.000	1	122.9143	0.059	3	122.9143	0.059	3	122.9143	0.059	3	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6,6]-3:	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	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6,6]C[6]2)	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>}	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[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6,6]C[6]2){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	117.6160	0.000	1	117.6160	0.000	1	117.6160	0.000	1	117.6160	0.000	1	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:3:4:	3:3:3:	3:3:4:	C[6,6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	124.1180	0.000	1	124.1180	0.000	1	124.1180	0.000	1	124.1180	0.000	1	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	3:4:3:	3:3:3:	4:3:2:	C[6,6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	P[6,6]-4:N[6]-3:S[6]-2:	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	C[6,6](P[6,6]C[6a]C[6]2)(N[6]C[6a]B[6])(S[6]B[6])	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>}	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[6,6](P[6,6]C[6a]C[6]2)(N[6]C[6a]B[6])(S[6]B[6]){2|C<4>,4|H<1>,8|C<3>}	116.2940	0.000	1	116.2940	0.000	1	116.2940	0.000	1	116.2940	0.000	1	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	4:3:3:	3:3:3:	3:3:4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6]-3:N[6]-3:C[6]-4:	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	C[6,6](C[6,6]C[4x6]C[6])(N[6]C[3x6]C[6a])(C[6]C[6]HH)	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>}	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[6,6](C[6,6]C[4x6]C[6])(N[6]C[3x6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	123.0110	1.355	2	123.0110	1.836	2	123.0110	1.836	2	122.7948	2.573	6	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	4:3:3:	3:3:3:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	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)	C[6,6](C[6,6]C[3x6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	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>}	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[6,6](C[6,6]C[3x6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	122.9180	0.000	1	122.9180	0.000	1	122.6868	3.630	4	122.7948	2.573	6	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	4:3:3:	3:3:3:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:N[6]-3:C[6]-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)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	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>}	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[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	121.6940	0.000	1	121.6940	0.000	1	122.6868	3.630	4	122.7948	2.573	6	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	4:3:3:	3:3:3:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:N[6]-3:C[6]-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)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	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>}	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[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	120.8810	0.000	1	123.0675	9.562	2	122.6868	3.630	4	122.7948	2.573	6	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6,6]	4:3:3:	3:3:3:	3:3:4:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:N[6]-3:C[6]-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)	C[6a](C[6a]C[6a]H)2(N[6]C[6,6]2)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	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>}	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[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	125.2540	0.000	1	123.0675	9.562	2	122.6868	3.630	4	122.7948	2.573	6	120.7423	3.354	68	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-2:C-3:	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	C[6](N[6]C[6a]N[6])(N[6]N[6])(COO)	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]N[6])(N[6]N[6])(COO){4|C<3>}	123.4930	0.000	1	123.4930	0.000	1	123.4930	0.000	1	123.4930	0.000	1	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	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	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]O[6])(O)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]O[6])(O){1|C<4>,1|H<1>,4|C<3>}	128.2440	0.000	1	128.2440	0.000	1	128.2440	0.000	1	120.3922	4.314	30	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:As[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(As[6]N[6]){2|C<4>,5|C<3>}	C[6a](N[6]As[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	119.6665	0.021	2	119.6665	0.000	2	119.6665	0.000	2	120.3922	4.314	30	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)	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>}	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[6](N[6]C[6a]N[6])(C[6]C[6]H)(H){4|C<3>}	123.2590	0.000	1	123.2590	0.000	1	123.2590	0.000	1	120.3922	4.314	30	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-1:	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	C[6](N[6]C[6a]N[6])2(O)	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>}	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[6](N[6]C[6a]N[6])2(O){5|C<3>}	118.3461	0.304	8	120.0358	2.035	26	120.0358	2.035	26	120.3922	4.314	30	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-1:	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	C[6](N[6]C[6a]N[6])2(O)	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>}	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[6](N[6]C[6a]N[6])2(O){5|C<3>}	120.2150	0.662	4	120.0358	2.035	26	120.0358	2.035	26	120.3922	4.314	30	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-1:	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	C[6](N[6]C[6a]N[6])2(O)	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>}	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[6](N[6]C[6a]N[6])2(O){5|C<3>}	121.0682	1.085	12	120.0358	2.035	26	120.0358	2.035	26	120.3922	4.314	30	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-1:	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	C[6](N[6]C[6a]N[6])2(O)	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>}	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[6](N[6]C[6a]N[6])2(O){1|C<4>,5|C<3>}	120.2415	0.333	2	120.0358	2.035	26	120.0358	2.035	26	120.3922	4.314	30	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[6]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	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	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,6|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,6|C<3>}	124.8705	0.295	2	124.8705	0.087	2	124.8705	0.087	2	124.8705	0.087	2	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:Ge[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6]-3:N[6]-3:C[6a]-3:	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	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]){3|C<4>,6|C<3>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	121.3220	0.000	1	121.3220	0.000	1	121.3220	0.000	1	121.6246	9.329	7	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:	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	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,5|C<3>}	124.3155	0.190	2	124.3155	0.036	2	124.3155	0.036	2	121.6246	9.329	7	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	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>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>}	117.0420	0.000	1	117.0420	0.000	1	117.0420	0.000	1	121.6246	9.329	7	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:N-3:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(NCC)	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>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(NCC){2|C<3>,2|N<3>}	123.2890	0.433	2	123.2890	0.187	2	123.2890	0.187	2	121.6246	9.329	7	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:Si[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>}	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	121.6246	9.329	7	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:Ga[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	125.2355	1.886	2	125.2355	3.556	2	122.1390	14.380	4	120.9223	10.955	17	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:Ga[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	119.0425	1.109	2	119.0425	1.231	2	122.1390	14.380	4	120.9223	10.955	17	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CBHH)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CBHH){1|C<4>,1|N<3>,2|C<3>}	119.6450	0.000	1	119.6450	0.000	1	121.4950	13.770	7	120.9223	10.955	17	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	127.6070	0.000	1	126.3735	3.043	2	121.4950	13.770	7	120.9223	10.955	17	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.1400	0.000	1	126.3735	3.043	2	121.4950	13.770	7	120.9223	10.955	17	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	120.3580	1.494	3	119.5182	4.309	4	121.4950	13.770	7	120.9223	10.955	17	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,3|C<3>}	116.9990	0.000	1	119.5182	4.309	4	121.4950	13.770	7	120.9223	10.955	17	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:In[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	119.2780	1.540	4	119.2780	2.370	4	119.2780	2.370	4	120.9223	10.955	17	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(CH3)	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	122.9920	0.000	1	122.9920	0.000	1	122.9920	0.000	1	120.9223	10.955	17	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:Si[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|N<3>,3|C<3>}	116.5540	0.000	1	116.5540	0.000	1	116.5540	0.000	1	120.9223	10.955	17	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-2:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]){3|C<3>,5|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|H<1>}	118.1230	0.000	1	117.1410	0.757	3	117.1410	0.757	3	120.1269	7.306	8	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-2:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	116.6500	0.259	2	117.1410	0.757	3	117.1410	0.757	3	120.1269	7.306	8	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O){1|H<1>,4|C<3>}	121.9865	2.271	2	121.7627	2.728	3	121.9184	1.709	5	120.1269	7.306	8	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O){2|H<1>,3|C<3>}	121.3150	0.000	1	121.7627	2.728	3	121.9184	1.709	5	120.1269	7.306	8	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[6a]N[6])(C[6]O[6]HH)(O)	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>}	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[6](N[6]C[6a]N[6])(C[6]O[6]HH)(O){3|C<3>}	122.1520	1.095	2	122.1520	1.198	2	121.9184	1.709	5	120.1269	7.306	8	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:Ge[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:C-3:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]CH)(CHH)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]CH)(CHH){1|H<1>,1|O<2>,3|C<3>}	118.7720	0.000	1	118.7720	0.000	1	118.7720	0.000	1	118.7720	0.000	1	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]N[6a]2)(C[6]C[6]H)2{2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	119.8795	0.870	2	120.0058	1.296	8	120.0058	1.296	8	120.0058	1.296	8	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]N[6a]2)(C[6]C[6]H)2{2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	120.0478	1.286	6	120.0058	1.296	8	120.0058	1.296	8	120.0058	1.296	8	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	2:2:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6a]-2:N[6a]-2:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]N[6a]2)(C[6]C[6]O)2	C[6a](N[6a]C[6a])2(N[6]C[6]2)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]N[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,4|H<1>}	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|N<2>,1|O<2>,2|C<4>,2|O<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	116.9515	0.268	2	116.9515	0.072	2	116.9515	0.072	2	116.9515	0.072	2	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	2:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6a]-2:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	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>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(N[6]C[6]2){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.3500	1.879	2	120.3500	3.532	2	120.3500	3.532	2	120.3500	3.532	2	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,2|N<2>,4|C<3>}	115.4410	0.000	1	115.4410	0.000	1	115.4410	0.000	1	117.3863	2.851	8	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]O)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	116.7570	0.829	4	116.7570	0.688	4	116.7570	0.688	4	117.3863	2.851	8	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P){3|C<3>,3|H<1>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	118.8737	1.716	3	118.8737	2.943	3	118.8737	2.943	3	117.3863	2.851	8	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:N-2:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(NS)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(NS){1|H<1>,1|N<2>,3|C<3>}	121.7860	0.000	1	121.7860	0.000	1	121.7860	0.000	1	121.7860	0.000	1	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:P-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PCl2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P){3|C<3>,3|H<1>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(PCl2){1|N<2>,2|C<3>,2|H<1>}	116.9620	0.000	1	116.9620	0.000	1	119.1350	3.841	3	120.1605	6.767	4	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:P-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PN[5a]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P){3|C<3>,3|H<1>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(PN[5a]2){1|N<2>,2|C<3>,2|H<1>}	120.2215	0.774	2	120.2215	0.600	2	119.1350	3.841	3	120.1605	6.767	4	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(C[6]C[6]Ir)	C[6a](C[6a]C[6a]Ir)(N[6a]C[6a])(N[6]C[6]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(C[6]C[6]Ir){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Ir)(N[6a]C[6a])(N[6]C[6]2){1|C<4>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Ir<6>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	123.2370	0.000	1	123.2370	0.000	1	123.2370	0.000	1	120.1605	6.767	4	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:C[6]-4:O-1:	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])	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|H<1>,3|C<3>}	117.7325	0.590	2	117.7325	0.349	2	117.7325	0.349	2	117.7325	0.349	2	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:Cl-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(Cl)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]Cl){2|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6,6a])(Cl){1|N<3>,4|C<3>}	120.8220	0.000	1	120.8220	0.000	1	120.8220	0.000	1	117.9545	2.750	14	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:Se-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6])(Se){1|C<4>,4|C<3>}	119.3400	0.181	2	119.3400	0.033	2	119.5343	0.130	3	117.9545	2.750	14	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:Se-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se){3|H<1>,5|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6])(Se){1|C<4>,4|C<3>}	119.9230	0.000	1	119.9230	0.000	1	119.5343	0.130	3	117.9545	2.750	14	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:Se[6]-2:O-1:	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)	C[6](N[6]C[6a]C[6])(Se[6]C[6,6a])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]Se[6]O){2|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(Se[6]C[6,6a])(O){1|O<1>,4|C<3>}	115.5040	0.000	1	115.5040	0.000	1	115.5040	0.000	1	117.9545	2.750	14	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6])(S)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6])(S){2|C<4>,3|C<3>}	119.2680	0.000	1	119.2680	0.000	1	119.2680	0.000	1	117.9545	2.750	14	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:O-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,3|H<1>}	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[6](N[6]C[6a]C[6])(N[6]C[6])(O){1|C<4>,4|C<3>}	117.5990	0.000	1	117.5990	0.000	1	117.5990	0.000	1	117.9545	2.750	14	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:O-1:	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)	C[6](N[6]C[6a]C[6])(O[6]C[6])(O)	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>}	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[6](N[6]C[6a]C[6])(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	116.8420	0.000	1	116.8420	0.000	1	117.0810	1.098	7	117.9545	2.750	14	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:O-1:	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)	C[6](N[6]C[6a]C[6])(O[6]Si[6])(O)	N[6](C[6a]C[6a]2)(C[6]O[6]O)2{1|Si<4>,2|C<3>,2|C<4>}	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[6](N[6]C[6a]C[6])(O[6]Si[6])(O){1|Ni<4>,1|O<1>,2|C<3>,2|O<2>}	117.1208	1.142	6	117.1208	1.304	6	117.0810	1.098	7	117.9545	2.750	14	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:C-2:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CN)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CN){1|N<2>,4|C<3>}	120.1490	0.000	1	120.1490	0.000	1	120.1490	0.000	1	117.8835	1.839	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:N-2:	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)	C[6](N[6]C[6a]C[6])(N[6]C[5,6])(NC[6a])	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>}	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[6](N[6]C[6a]C[6])(N[6]C[5,6])(NC[6a]){1|S<1>,2|C<3>,2|N<3>}	118.2020	0.000	2	118.2020	0.000	2	118.2020	0.000	2	117.8835	1.839	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:O-2:	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)	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(OC)	N[6](C[6]C[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[5a,6])(OC){1|N<2>,1|N<3>,3|C<3>}	119.0600	0.103	2	119.0600	0.011	2	119.0600	0.011	2	117.8835	1.839	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:N-2:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a])	N[6](C[6a]C[6a]2)(C[6]N[6]N)2{2|H<1>,3|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	117.1380	0.000	1	117.4020	0.139	2	117.4020	0.139	2	117.8835	1.839	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:N-2:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a])	N[6](C[6a]C[6a]2)(C[6]N[6]N)2{2|H<1>,3|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a]){1|N<2>,1|N<3>,3|C<3>}	117.6660	0.000	1	117.4020	0.139	2	117.4020	0.139	2	117.8835	1.839	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:S[6]-2:N-2:	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)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	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>}	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[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	116.4527	0.921	3	116.4527	0.848	3	116.4527	0.848	3	117.8835	1.839	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:N[5]-3:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(N[5]C[5]2)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6,6a])(N[5]C[5]2){1|N<2>,2|C<4>,4|C<3>,4|H<1>}	116.0800	0.000	1	116.0800	0.000	1	116.0800	0.000	1	120.6165	10.570	6	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:N-3:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(NC[6a]H)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6,6a])(NC[6a]H){5|C<3>}	118.7440	0.000	1	118.7440	0.000	1	118.7470	0.000	2	120.6165	10.570	6	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:N-3:	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)	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(NC[6a]H)	N[6](C[6]N[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]N){2|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[5a,6])(NC[6a]H){1|N<3>,2|C<3>,2|N<2>}	118.7500	0.000	1	118.7500	0.000	1	118.7470	0.000	2	120.6165	10.570	6	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:C-3:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CCC)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){3|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(N[6]C[6])(CCC){1|C<4>,2|C<3>,2|O<1>}	124.5530	0.000	1	124.5530	0.000	1	124.5530	0.000	1	120.6165	10.570	6	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:N-3:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC)	N[6](C[6a]C[6a]2)(C[6]N[6]N)2{2|H<1>,3|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6])(NCC){1|C<4>,2|C<3>,2|N<2>}	122.3560	0.000	1	122.7860	0.370	2	122.7860	0.370	2	120.6165	10.570	6	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:N-3:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC)	N[6](C[6a]C[6a]2)(C[6]N[6]N)2{2|H<1>,3|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6])(NCC){2|N<2>,3|C<3>}	123.2160	0.000	1	122.7860	0.370	2	122.7860	0.370	2	120.6165	10.570	6	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:4:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:C-4:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CF3)	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CF3){5|C<3>}	122.9420	0.000	1	122.9420	0.000	1	120.9357	3.037	3	120.9357	3.037	3	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:4:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:C-4:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C){2|C<4>,4|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3){1|N<2>,4|C<3>}	119.9325	0.189	2	119.9325	0.036	2	120.9357	3.037	3	120.9357	3.037	3	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	As[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H)	N[6](As[6]N[6]As)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	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[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H){1|As<2>,1|H<1>,1|N<3>,4|C<3>}	118.6065	0.343	2	118.6065	0.118	2	118.6065	0.118	2	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:S-1:	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	C[6](N[6]C[6a]B[6])(N[6]C[6,6a]H)(S)	N[6](B[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	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[6](N[6]C[6a]B[6])(N[6]C[6,6a]H)(S){1|O<2>,4|C<3>}	117.7870	0.457	2	117.7870	0.209	2	117.7870	0.209	2	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:S-1:	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	C[6](N[6]C[5,6]C[6a])(C[6]C[6a]C[6])(S)	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>}	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[6](N[6]C[5,6]C[6a])(C[6]C[6a]C[6])(S){1|O<1>,2|N<3>,4|C<3>}	119.0210	0.000	1	119.0210	0.000	1	119.0210	0.000	1	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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	C[6](N[6]C[6,6a]C[6a])(C[6]N[6]H)(H)	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>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]N[6]H)(H){4|C<3>}	118.6977	0.634	3	118.6977	0.401	3	118.6977	0.401	3	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:H-1:	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	C[6](N[6]C[6,6a]C[6a])2(H)	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>}	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[6](N[6]C[6,6a]C[6a])2(H){7|C<3>}	118.4275	0.407	2	118.4275	0.165	2	118.4275	0.165	2	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:S-1:	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	C[6](N[6]C[6,6a]C[6a])2(S)	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>}	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[6](N[6]C[6,6a]C[6a])2(S){7|C<3>}	119.0185	0.658	4	119.0185	0.433	4	119.0185	0.433	4	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:N[6]-3:H-1:	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)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(H)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(H){1|C<4>,6|C<3>}	117.2460	0.000	1	117.2460	0.000	1	117.2460	0.000	1	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:N[6]-3:O-1:	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)	C[6](C[6,6]C[3x6]C[5,6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6]C[3x6]C[5,6])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,5|C<3>}	118.8760	0.000	1	118.8760	0.000	1	118.7930	0.014	2	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:N[6]-3:O-1:	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)	C[6](C[6,6]C[3x6]N[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6]C[3x6]N[6])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	118.7100	0.000	1	118.7100	0.000	1	118.7930	0.014	2	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	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>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	115.4150	0.000	1	116.7785	3.718	2	117.1432	1.663	4	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	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>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	118.1420	0.000	1	116.7785	3.718	2	117.1432	1.663	4	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	117.5080	0.860	2	117.5080	0.739	2	117.1432	1.663	4	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	118.0690	0.738	2	118.0690	0.545	2	117.4358	0.597	73	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	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[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	117.0280	1.097	2	117.3614	0.857	14	117.4358	0.597	73	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	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[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	117.4170	0.938	12	117.3614	0.857	14	117.4358	0.597	73	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6a]C[6])(O){1|O<1>,6|C<3>}	116.2230	1.817	2	116.2230	3.302	2	117.4358	0.597	73	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	116.8930	0.569	2	117.3426	0.723	16	117.4358	0.597	73	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	117.3552	0.893	13	117.3426	0.723	16	117.4358	0.597	73	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){7|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	118.0790	0.000	1	117.3426	0.723	16	117.4358	0.597	73	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]F)2(N[6]C[6]2){2|F<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	117.0420	0.209	2	117.0420	0.044	2	117.4358	0.597	73	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	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[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	117.2950	0.550	2	117.2942	0.827	6	117.4358	0.597	73	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	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[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	117.2938	1.130	4	117.2942	0.827	6	117.4358	0.597	73	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	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[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	117.4315	0.421	2	117.6077	0.257	31	117.4358	0.597	73	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	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[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	117.7430	0.534	4	117.6077	0.257	31	117.4358	0.597	73	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	117.6002	0.522	25	117.6077	0.257	31	117.4358	0.597	73	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:S-1:	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)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(S)	N[6](C[6]C[6,6a]S)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|S<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(S){1|H<1>,1|S<1>,5|C<3>}	117.1635	0.669	4	117.1635	0.448	4	117.1635	0.448	4	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	117.1750	0.000	1	117.1750	0.000	1	117.1750	0.000	1	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	117.1750	0.000	1	117.1750	0.000	1	117.0423	0.693	9	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	117.9830	0.000	1	117.9830	0.000	1	117.0423	0.693	9	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	117.4573	0.446	4	117.4573	0.199	4	117.0423	0.693	9	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	116.2615	0.873	2	116.2615	0.763	2	117.0423	0.693	9	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]Se[6]O){2|H<1>,4|C<3>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|Se<2>,1|H<1>,1|O<1>,4|C<3>}	115.8710	0.000	1	115.8710	0.000	1	117.0423	0.693	9	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:S-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(S)	N[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(S){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	118.9070	0.000	1	118.9070	0.000	1	118.9070	0.000	1	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:O-1:	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)	C[6](C[6]C[6,6]C[5])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6,6]C[5])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|S<2>,3|C<3>}	118.1770	0.000	1	118.1770	0.000	1	118.1770	0.000	1	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[5,6]-3:N[6]-3:O-1:	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)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	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>}	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[6](N[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	117.7550	0.000	1	117.7550	0.000	1	117.7550	0.000	1	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[5,6]-3:N[6]-3:S-1:	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)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(S)	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>}	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[6](N[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(S){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	118.1780	0.000	2	118.1780	0.000	2	118.1780	0.000	2	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	118.8000	0.689	2	118.8000	0.474	2	116.9530	2.992	5	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]C)(H)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]C)(H){1|C<4>,4|C<3>}	115.4830	0.000	1	115.4830	0.000	1	116.9530	2.992	5	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){5|C<3>}	115.8410	0.188	2	115.8410	0.035	2	116.9530	2.992	5	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O)	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>}	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[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,7|C<3>}	119.2285	0.552	2	119.2285	0.305	2	117.1574	2.754	7	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){5|C<3>}	115.8985	1.266	2	115.8985	1.604	2	117.1574	2.754	7	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]B[6])(N[6]C[6a]C[6])(O)	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>}	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[6](N[6]C[6a]B[6])(N[6]C[6a]C[6])(O){1|O<2>,7|C<3>}	115.4650	0.000	1	115.4650	0.000	1	117.1574	2.754	7	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(N[6]B[6]C[6])(O)	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>}	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[6](N[6]C[6a]C[6])(N[6]B[6]C[6])(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	117.2160	0.000	1	117.2160	0.000	1	117.1574	2.754	7	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O)	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>}	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[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	117.1670	0.000	1	117.1670	0.000	1	117.1574	2.754	7	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S){1|O<1>,4|C<3>}	119.4815	0.613	2	119.4815	0.376	2	118.8230	1.489	3	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S)	N[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S){1|S<1>,4|C<3>}	117.5060	0.000	1	117.5060	0.000	1	118.8230	1.489	3	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	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	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O){1|C<4>,1|H<1>,5|C<3>}	125.7170	0.000	1	125.7170	0.000	1	124.3410	3.787	2	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	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	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O){1|Ru<10>,1|C<4>,1|H<1>,4|C<3>}	122.9650	0.000	1	122.9650	0.000	1	124.3410	3.787	2	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-1:	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	C[6](N[6]C[3x6]Ge[6])(N[6]C[6a]B[6])(O)	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>}	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[6](N[6]C[3x6]Ge[6])(N[6]C[6a]B[6])(O){2|C<3>,2|N<3>,3|C<4>}	110.2290	0.000	1	110.2290	0.000	1	110.5683	2.163	3	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-1:	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	C[6](N[6]C[6a]B[6])(N[6]Ge[6]C)(O)	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>}	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[6](N[6]C[6a]B[6])(N[6]Ge[6]C)(O){2|C<3>,2|N<3>}	110.7380	2.038	2	110.7380	4.153	2	110.5683	2.163	3	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[5,6a]2)(C[6]C[6]H)2	C[6a](C[5,6a]C[5,6a]C[5])2(N[6]C[6]2)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[5,6a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])2(N[6]C[6]2){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.5330	1.510	2	120.5330	2.281	2	120.5330	2.281	2	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{3|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	118.9425	0.217	2	118.9425	0.047	2	118.9425	0.047	2	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	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)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){2|H<1>,5|C<3>}	119.3115	0.064	2	119.9640	2.211	4	119.9640	2.211	4	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	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)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,2|H<1>,5|C<3>}	120.6165	2.220	2	119.9640	2.211	4	119.9640	2.211	4	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	116.9830	0.000	1	116.9830	0.000	1	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]N){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.7520	0.000	1	116.7520	0.000	1	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|O<1>,3|C<3>}	119.6210	0.000	1	119.6210	0.000	1	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	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>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|P<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|P<4>,3|C<3>}	116.5060	0.000	1	116.5060	0.000	1	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	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>}	C[6a](C[6a]C[6a]O)2(N[6]C[6]2){1|P<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|P<3>,3|C<3>}	117.9930	0.000	1	117.9930	0.000	1	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	117.8350	0.000	1	117.8350	0.000	1	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.6215	0.862	2	120.4513	0.591	4	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.2810	0.956	2	120.4513	0.591	4	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|Cl<1>,2|H<1>,3|C<3>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.2095	0.571	2	119.5307	0.253	4	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|Cl<1>,2|H<1>,3|C<3>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.8520	0.144	2	119.5307	0.253	4	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[6]C[6]2){3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.3148	0.371	4	119.3148	0.138	4	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H){1|H<1>,5|C<3>}	120.7395	1.790	2	120.7395	3.203	2	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	121.0440	0.436	2	120.9990	0.364	9	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	120.8828	0.674	6	120.9990	0.364	9	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	121.6060	0.000	1	120.9990	0.364	9	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	121.5040	0.000	1	119.8036	0.893	103	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.1616	0.826	18	119.8036	0.893	103	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<2>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.6690	1.005	4	119.8036	0.893	103	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.8675	0.186	2	119.8036	0.893	103	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.7635	1.073	50	119.8036	0.893	103	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.4879	0.525	16	119.8036	0.893	103	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.2635	0.965	2	119.8036	0.893	103	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.6434	0.902	10	119.8036	0.893	103	119.7963	1.168	132	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[5]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[5]C[6])(O){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	118.8740	0.000	1	118.8740	0.000	1	118.4980	0.283	2	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{3|C<3>,5|H<1>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|O<1>,3|C<3>}	118.1220	0.000	1	118.1220	0.000	1	118.4980	0.283	2	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:Br-1:	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)	C[6](N[6]C[6a]C[6])2(Br)	N[6](C[6a]C[6a]2)(C[6]N[6]Br)(C[6]C[6]O){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])2(Br){1|C<4>,2|O<1>,4|C<3>}	121.9790	0.996	2	121.9790	0.991	2	121.9790	0.991	2	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])2(H)	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>}	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[6](N[6]C[6a]C[6])2(H){1|C<4>,2|H<1>,5|C<3>}	118.5270	0.000	1	118.5270	0.000	1	118.5273	0.501	3	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]H){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])2(H){1|C<4>,2|O<1>,4|C<3>}	118.5275	1.001	2	118.5275	1.001	2	118.5273	0.501	3	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,4|H<1>}	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[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){2|C<4>,3|C<3>}	115.3520	0.719	3	115.3520	0.517	3	115.9827	4.757	15	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])2(O)	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>}	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[6](N[6]C[6a]C[6])2(O){2|H<1>,6|C<3>}	121.1220	0.000	1	121.1220	0.000	1	115.9827	4.757	15	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])2(O){1|C<4>,2|O<1>,4|C<3>}	116.8885	0.067	2	116.8885	0.005	2	115.9827	4.757	15	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){1|C<4>,2|C<3>,2|O<1>}	115.9100	0.000	1	115.9100	0.000	1	115.9827	4.757	15	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])2(O)	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>}	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[6](N[6]C[6a]C[6])2(O){1|C<4>,2|O<1>,4|C<3>}	114.9570	0.099	2	115.3997	0.265	4	115.9827	4.757	15	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])2(O)	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>}	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[6](N[6]C[6a]C[6])2(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	115.8425	0.047	2	115.3997	0.265	4	115.9827	4.757	15	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]Fe)(C[6]N[6]O){3|C<4>,4|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6]C)(O){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>}	112.4985	0.094	2	112.4985	0.009	2	115.9827	4.757	15	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|C<4>,3|C<3>,3|H<1>}	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[6](N[6]C[6a]C[6])(N[6]C[6]C)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	118.6640	0.000	1	118.6640	0.000	1	115.9827	4.757	15	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|C<4>,3|C<3>,3|H<1>}	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[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	117.6160	0.000	1	117.6160	0.000	1	115.9827	4.757	15	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	119.2060	0.000	1	119.2060	0.000	1	119.1926	0.399	23	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	119.8630	0.000	1	119.8630	0.000	1	119.1926	0.399	23	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	118.7040	0.000	1	119.1298	0.321	5	119.1926	0.399	23	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	119.7480	0.088	2	119.1298	0.321	5	119.1926	0.399	23	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	118.6980	0.000	1	119.1298	0.321	5	119.1926	0.399	23	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){1|H<1>,2|C<4>,3|C<3>}	118.7510	0.000	1	119.1298	0.321	5	119.1926	0.399	23	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	118.0200	0.000	1	118.0200	0.000	1	119.1926	0.399	23	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	119.8650	0.000	1	119.8650	0.000	1	119.1926	0.399	23	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	118.7200	0.000	1	118.7200	0.000	1	119.1926	0.399	23	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	118.4110	0.000	1	119.3848	0.364	9	119.1926	0.399	23	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	119.7608	0.335	4	119.3848	0.364	9	119.1926	0.399	23	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	119.0235	0.238	2	119.3848	0.364	9	119.1926	0.399	23	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	119.4810	0.854	2	119.3848	0.364	9	119.1926	0.399	23	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(S)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]C)(S){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	118.8090	0.540	2	118.9110	0.467	4	119.1926	0.399	23	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(S)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]C)(S){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.0130	1.034	2	118.9110	0.467	4	119.1926	0.399	23	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{3|C<3>,4|H<1>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	120.3140	0.048	2	120.3140	0.002	2	120.3140	0.002	2	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-1:	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	C[6](N[6]C[6a]N[6])2(O)	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>}	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[6](N[6]C[6a]N[6])2(O){1|C<4>,5|C<3>}	122.3555	2.461	2	122.3555	6.059	2	122.3555	6.059	2	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:P[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:H-1:	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	C[6](C[6]C[6a]C[6])(N[6]C[6a]P[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]N[6]I){2|C<4>,5|C<3>}	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[6](C[6]C[6a]C[6])(N[6]C[6a]P[6])(H){1|H<1>,1|I<1>,1|N<3>,4|C<3>}	119.6485	0.811	2	119.6485	0.658	2	119.6485	0.658	2	118.6526	3.559	324	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:S-2:	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	C[6](N[6]C[5,6]C[6a])(C[6]N[6]C)(SC)	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>}	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[6](N[6]C[5,6]C[6a])(C[6]N[6]C)(SC){1|Se<2>,1|C<4>,3|C<3>}	122.5370	0.000	1	122.5370	0.000	1	122.5370	0.000	1	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:N-2:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	117.5850	0.000	1	117.5850	0.000	1	116.6460	1.783	6	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:N-2:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	114.1020	0.000	1	114.1020	0.000	1	116.6460	1.783	6	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:N-2:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	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>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){2|H<1>,2|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|H<1>,1|N<2>,5|C<3>}	117.2870	0.000	1	117.2870	0.000	1	116.6460	1.783	6	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:N-2:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|H<1>,1|N<2>,5|C<3>}	116.9673	0.647	3	116.9673	0.419	3	116.6460	1.783	6	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	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>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){2|H<1>,2|N<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|N<2>,2|H<1>,6|C<3>}	121.5250	0.000	1	121.5250	0.000	1	120.5025	1.173	6	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	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>}	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[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	119.0910	0.000	1	119.0910	0.000	1	120.5025	1.173	6	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	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>}	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[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	119.4200	0.000	1	120.5998	0.929	4	120.5025	1.173	6	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,2|N<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|N<2>,2|H<1>,6|C<3>}	120.9930	0.682	3	120.5998	0.929	4	120.5025	1.173	6	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:N[6]-3:N-2:	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)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6a]C[6])(NH)	N[6](C[6]C[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,4|C<3>}	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[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6a]C[6])(NH){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	118.7095	0.289	2	118.7095	0.084	2	118.7095	0.084	2	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:N-2:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C){2|C<4>,4|C<3>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	117.5695	0.227	2	117.5695	0.052	2	118.0977	0.863	3	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:N-2:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	119.1540	0.000	1	119.1540	0.000	1	118.0977	0.863	3	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[5a,6]-3:N[6]-3:N-2:	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)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(NC[6a])	N[6](C[6]N[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]N){2|H<1>,4|C<3>}	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[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(NC[6a]){1|N<3>,2|N<2>,4|C<3>}	119.0170	0.000	1	119.0170	0.000	1	119.0170	0.000	1	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:N-2:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NH)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(NH){1|O<1>,2|C<3>,2|C<4>}	117.3050	0.000	1	117.3050	0.000	1	117.3050	0.000	1	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O[6]-2:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6])	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>}	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[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|O<1>,2|F<1>,6|C<3>}	120.3800	0.000	1	121.1060	1.054	2	121.1060	1.054	2	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O[6]-2:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6])	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>}	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[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|O<1>,2|F<1>,6|C<3>}	121.8320	0.000	1	121.1060	1.054	2	121.1060	1.054	2	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:N-2:	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)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(NS)	N[6](C[6a]C[6a]2)(C[6]C[6]N)2{1|C<2>,2|H<1>,4|C<3>}	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[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(NS){1|H<1>,1|N<3>,5|C<3>}	117.9200	0.000	1	117.9200	0.000	1	117.9200	0.000	1	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-2:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CN)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CN){1|O<1>,2|C<3>,3|C<4>}	120.2590	0.000	1	120.2590	0.000	1	120.2590	0.000	1	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:C-2:	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)	C[6](N[6]C[6a]C[6])2(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])2(CN){1|C<4>,2|O<1>,4|C<3>}	117.1524	1.124	7	117.1524	1.264	7	117.1524	1.264	7	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:P-2:	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)	C[6](N[6]C[6a]C[6])2(PC[6a])	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]P){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])2(PC[6a]){1|C<4>,2|O<1>,4|C<3>}	120.2865	2.402	2	120.2865	5.770	2	120.2865	5.770	2	118.6210	4.058	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:N-3:	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	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(NHH)	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>}	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[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	121.3620	0.000	1	121.3620	0.000	1	121.3620	0.000	1	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:N-3:	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	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH)	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>}	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[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH){1|C<4>,5|C<3>}	118.6257	1.603	3	118.6257	2.570	3	118.9238	1.278	6	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:N-3:	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	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH)	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>}	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[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,4|C<3>}	119.2220	0.600	3	119.2220	0.360	3	118.9238	1.278	6	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-3:	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	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCH)	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>}	C[6a](N[6]C[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCH){1|H<1>,6|C<3>}	118.4620	0.117	2	118.4620	0.014	2	118.4620	0.014	2	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H)	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>}	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[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H){2|H<1>,8|C<3>}	117.8690	0.000	1	117.8690	0.000	1	117.8690	0.000	1	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6]-3:	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	C[6](N[6]C[6,6a]C[6a])2(C[6]N[6]2)	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>}	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[6](N[6]C[6,6a]C[6a])2(C[6]N[6]2){11|C<3>}	119.8050	0.000	1	119.8050	0.000	1	119.8050	0.000	1	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:N-3:	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	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH)	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>}	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[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH){1|H<1>,1|S<2>,4|C<3>}	120.1530	0.242	2	120.1530	0.058	2	120.1530	0.058	2	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:N-3:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH){1|H<1>,1|N<2>,5|C<3>}	120.0990	0.000	1	120.0990	0.000	1	119.6305	0.439	2	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:N-3:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH){1|H<1>,1|N<2>,5|C<3>}	119.1620	0.000	1	119.1620	0.000	1	119.6305	0.439	2	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:C[6a]-3:	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)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	119.5930	0.000	1	119.5930	0.000	1	120.9203	4.522	3	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:C[6a]-3:	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)	C[6](C[6]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)	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>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	119.7950	0.000	1	119.7950	0.000	1	120.9203	4.522	3	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:C[6a]-3:	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)	C[6](C[6]C[6,6a]Pd)(N[6]C[6a]C[6])(C[6a]C[6a]2)	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>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]Pd)(N[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	123.3730	0.000	1	123.3730	0.000	1	120.9203	4.522	3	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C[6a]-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2){1|Fe<10>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	119.7350	0.199	2	119.7350	0.040	2	120.3307	0.678	4	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C[6a]-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.9265	0.757	2	120.9265	0.574	2	120.3307	0.678	4	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]2)2(N[6]C[6]2){1|N<2>,2|H<1>,8|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	119.7430	0.361	2	119.7430	0.130	2	118.4158	3.476	6	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	119.3970	1.028	2	117.7523	3.989	4	118.4158	3.476	6	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	116.1075	0.298	2	117.7523	3.989	4	118.4158	3.476	6	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:N[6]-3:C[6a]-3:	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)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2)	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>}	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[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,2|N<3>,2|O<1>,6|C<3>}	119.7170	0.430	2	119.7170	0.185	2	119.7170	0.185	2	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C-3:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]H)	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	118.4620	0.000	1	118.4620	0.000	1	119.3487	1.074	4	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C-3:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCH)	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	119.6443	1.043	3	119.6443	1.087	3	119.3487	1.074	4	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	120.5620	0.000	1	120.5620	0.000	1	120.5620	0.000	1	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:N-3:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]Cl){2|H<1>,4|C<3>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	120.0690	0.000	1	120.0690	0.000	1	120.0690	0.000	1	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	120.3240	0.000	1	120.3240	0.000	1	120.3651	1.710	7	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	122.0040	0.301	2	122.0040	0.091	2	120.3651	1.710	7	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	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>}	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[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	120.7190	0.000	1	120.7190	0.000	1	120.3651	1.710	7	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	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>}	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[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Se<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	119.2910	0.533	2	119.2910	0.284	2	120.3651	1.710	7	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se){3|H<1>,5|C<3>}	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[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Se<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	118.9230	0.000	1	118.9230	0.000	1	120.3651	1.710	7	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:C[6]-3:	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)	C[6](N[6]C[6a]C[6])2(C[6]C[6]2)	N[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<4>,6|C<3>}	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[6](N[6]C[6a]C[6])2(C[6]C[6]2){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	123.3810	1.153	6	123.3810	1.329	6	123.3810	1.329	6	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6]-3:N[6]-3:C[6a]-3:	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	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	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>}	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[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	122.3330	0.000	1	122.3330	0.000	1	121.9970	0.087	3	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6]-3:N[6]-3:C[6a]-3:	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	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	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>}	C[6a](N[6]Ge[6]C[6])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){2|C<4>,2|N<3>,4|C<3>,4|H<1>}	121.8770	0.000	1	121.8770	0.000	1	121.9970	0.087	3	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:Ge[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6]-3:N[6]-3:C[6a]-3:	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	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	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>}	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[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	121.7810	0.000	1	121.7810	0.000	1	121.9970	0.087	3	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	119.3690	0.000	1	119.6560	0.165	2	119.6560	0.165	2	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	119.9430	0.000	1	119.6560	0.165	2	119.6560	0.165	2	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:N-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	120.8020	0.000	1	120.4795	0.208	2	120.4795	0.208	2	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:N-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	120.1570	0.000	1	120.4795	0.208	2	120.4795	0.208	2	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	119.6520	0.000	1	119.6520	0.000	1	120.2086	0.574	10	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	119.4985	0.022	2	120.0465	0.752	6	120.2086	0.574	10	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	121.7040	0.000	1	120.0465	0.752	6	120.2086	0.574	10	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	120.0840	0.049	2	120.0465	0.752	6	120.2086	0.574	10	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	119.4100	0.000	1	120.0465	0.752	6	120.2086	0.574	10	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CHH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,3|H<1>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	121.0360	0.000	1	121.0360	0.000	1	120.2086	0.574	10	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO){6|C<3>}	120.5595	0.108	2	120.5595	0.012	2	120.2086	0.574	10	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:N-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	120.4880	0.000	1	120.4880	0.000	1	119.7371	2.814	9	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:N-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	121.7580	0.023	2	119.9728	2.905	5	119.7371	2.814	9	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:N-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	117.9700	0.000	1	119.9728	2.905	5	119.7371	2.814	9	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:N-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	119.1890	0.081	2	119.9728	2.905	5	119.7371	2.814	9	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:N-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(NC[6a]H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]N){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(NC[6a]H){2|H<1>,3|C<3>}	121.2980	0.000	1	121.2980	0.000	1	119.7371	2.814	9	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:N-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	118.8650	0.000	1	118.8650	0.000	1	119.7371	2.814	9	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:N-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	N[6](C[6a]C[6a]2)(C[6]C[6]N)2{1|C<2>,2|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,3|C<3>}	117.1190	0.000	1	117.1190	0.000	1	119.7371	2.814	9	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:P-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PC[6a]2)	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>}	C[6a](C[6a]C[6a]O)2(N[6]C[6]2){1|P<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PC[6a]2){2|H<1>,3|C<3>}	119.5720	0.000	1	119.5720	0.000	1	119.5720	0.000	1	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:B-3:	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)	C[6](N[6]C[6a]C[6])2(BC[6a]Br)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])2(BC[6a]Br){1|C<4>,2|O<1>,4|C<3>}	121.1615	2.319	2	121.1615	5.376	2	119.9912	1.967	6	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:B-3:	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)	C[6](N[6]C[6a]C[6])2(BClN)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])2(BClN){1|C<4>,2|O<1>,4|C<3>}	119.4060	0.342	4	119.4060	0.117	4	119.9912	1.967	6	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:C-3:	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)	C[6](N[6]C[6a]C[6])2(CC[6a]O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])2(CC[6a]O){1|C<4>,2|O<1>,4|C<3>}	121.8965	1.827	4	121.8965	3.337	4	121.2822	4.628	10	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:C-3:	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)	C[6](N[6]C[6a]C[6])2(CHH)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])2(CHH){1|C<4>,2|O<1>,4|C<3>}	118.6850	0.310	2	118.6850	0.096	2	121.2822	4.628	10	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:C-3:	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)	C[6](N[6]C[6a]C[6])2(CP[5,5]C)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])2(CP[5,5]C){1|C<4>,2|O<1>,4|C<3>}	123.1240	2.918	2	123.1240	8.512	2	121.2822	4.628	10	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:C-3:	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)	C[6](N[6]C[6a]C[6])2(CP[5]C)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])2(CP[5]C){1|C<4>,2|O<1>,4|C<3>}	120.8090	0.895	2	120.8090	0.801	2	121.2822	4.628	10	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Si[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:N-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|P<3>,2|C<3>,2|N<3>}	121.5725	2.975	2	121.5725	8.849	2	121.5725	8.849	2	120.2704	3.020	94	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CBHH)	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>}	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[6](N[6]C[6a]B[6])(C[6]C[6]H)(CBHH){1|C<4>,1|N<3>,3|C<3>}	118.0410	0.000	1	118.0410	0.000	1	118.3287	0.365	4	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	B[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	118.4247	0.702	3	118.4247	0.492	3	118.3287	0.365	4	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:N[6]-3:C-4:	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)	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6a]C[6])(CH3)	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>}	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[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6a]C[6])(CH3){1|C<4>,1|O<1>,5|C<3>}	119.7240	0.000	1	119.7240	0.000	1	119.7240	0.000	1	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C-4:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CH3)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CH3){2|H<1>,5|C<3>}	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:B[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	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>}	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[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	120.7480	0.588	2	120.7480	0.346	2	121.1535	0.791	4	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:B[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	121.5590	1.170	2	121.5590	1.368	2	121.1535	0.791	4	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<1>,2|C<3>}	119.5420	0.000	1	119.5420	0.000	1	119.5420	0.000	1	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){2|H<1>,4|C<3>}	122.1510	0.000	1	122.1510	0.000	1	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]N[6]H)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	119.8370	0.000	1	119.8370	0.000	1	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	117.7210	0.618	2	117.7210	0.382	2	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|H<1>}	121.6780	0.000	1	121.6780	0.000	1	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,4|H<1>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	121.7357	0.221	3	121.7357	0.049	3	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	120.3440	0.000	1	120.3440	0.000	1	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	119.2700	0.000	1	119.2700	0.000	1	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	119.0080	0.000	1	119.0080	0.000	1	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	118.9100	0.000	1	119.2025	0.120	4	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	119.1675	0.377	2	119.2025	0.120	4	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	119.5650	0.000	1	119.2025	0.120	4	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	120.2100	0.000	1	120.2100	0.000	1	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	118.6720	0.000	1	118.6720	0.000	1	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	120.1380	0.000	1	120.1380	0.000	1	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	120.3020	0.000	1	119.6524	0.144	9	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	119.4580	0.288	4	119.6524	0.144	9	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	119.7715	0.035	2	119.6524	0.144	9	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	119.5975	0.542	2	119.6524	0.144	9	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	119.2445	0.729	2	119.2445	0.531	2	119.7975	1.302	29	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:B-4:	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)	C[6](N[6]C[6a]C[6])2(BC[6a]Br2)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])2(BC[6a]Br2){1|C<4>,2|O<1>,4|C<3>}	123.1175	0.711	2	123.1175	0.505	2	123.2802	1.885	6	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:B-4:	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)	C[6](N[6]C[6a]C[6])2(BCl3)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])2(BCl3){1|C<4>,2|O<1>,4|C<3>}	124.8220	0.143	2	124.8220	0.020	2	123.2802	1.885	6	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:B-4:	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)	C[6](N[6]C[6a]C[6])2(BF3)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])2(BF3){1|C<4>,2|O<1>,4|C<3>}	121.9010	0.537	2	121.9010	0.289	2	123.2802	1.885	6	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ga[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Al<4>,1|C<4>,1|N<3>,2|C<3>}	119.4780	0.610	2	119.4780	0.372	2	119.2410	2.366	25	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ga[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	118.2157	1.138	3	118.2157	1.294	3	119.2410	2.366	25	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ga[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Co<4>,1|C<4>,1|N<3>,2|C<3>}	120.0010	0.222	4	120.0010	0.049	4	119.2410	2.366	25	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ga[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<4>,1|C<4>,1|N<3>,2|C<3>}	123.3390	0.318	2	123.3390	0.101	2	119.2410	2.366	25	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ga[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ga<4>,1|C<4>,1|N<3>,2|C<3>}	119.5235	0.581	2	119.5235	0.337	2	119.2410	2.366	25	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ga[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ni<5>,1|C<4>,1|N<3>,2|C<3>}	119.4130	0.552	2	118.6381	0.772	8	119.2410	2.366	25	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ga[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ni<7>,1|C<4>,1|N<3>,2|C<3>}	118.3798	0.836	6	118.6381	0.772	8	119.2410	2.366	25	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ga[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Rh<4>,1|C<4>,1|N<3>,2|C<3>}	118.5225	0.404	2	118.5225	0.163	2	119.2410	2.366	25	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ga[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|W<6>,2|C<3>}	117.7715	0.298	2	117.7715	0.089	2	119.2410	2.366	25	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	120.7820	0.000	1	120.1065	1.797	13	120.3296	1.568	79	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	120.0502	1.384	12	120.1065	1.797	13	120.3296	1.568	79	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CGe[4]HH)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CGe[4]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	121.9780	0.000	1	121.9780	0.000	1	120.3296	1.568	79	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	120.8983	1.193	4	120.8983	1.424	4	120.3296	1.568	79	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHHP)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHHP){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	119.6290	0.378	2	119.6290	0.143	2	120.3296	1.568	79	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CSi[4]HH)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CSi[4]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	122.3020	0.000	1	122.3020	0.000	1	120.3296	1.568	79	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.6710	0.359	2	121.6710	0.129	2	120.3296	1.568	79	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	120.0913	0.576	6	120.0774	0.718	16	120.3296	1.568	79	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|N<3>}	120.0690	1.006	10	120.0774	0.718	16	120.3296	1.568	79	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	120.1055	1.013	19	120.1055	1.025	19	120.3296	1.568	79	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<1>,2|C<3>}	119.8215	0.524	2	119.8828	2.787	12	120.3296	1.568	79	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,2|C<3>}	119.8951	1.837	10	119.8828	2.787	12	120.3296	1.568	79	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Se<2>,1|C<4>,1|N<3>,2|C<3>}	120.7282	0.303	6	120.7282	0.092	6	120.3296	1.568	79	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Te<2>,1|C<4>,1|N<3>,2|C<3>}	122.8795	0.900	2	122.8795	0.810	2	120.3296	1.568	79	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	122.2170	0.000	1	122.2170	0.000	1	120.3296	1.568	79	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:P[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]P[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]P[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	120.7730	0.000	1	120.7730	0.000	1	121.4517	0.984	3	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:P[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(CH3)	N[6](C[6a]C[6a]2)(P[6]N[6]Br)(C[6]C[6]C){3|C<4>,4|C<3>}	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[6](N[6]C[6a]P[6])(C[6]C[6]C)(CH3){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	121.7910	1.130	2	121.7910	1.277	2	121.4517	0.984	3	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Si[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CBHH)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CBHH){1|Ni<4>,1|C<4>,1|N<3>,2|C<3>}	119.8490	0.253	2	119.8490	0.064	2	119.1230	0.893	4	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Si[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,2|C<3>}	118.3970	0.711	2	118.3970	0.506	2	119.1230	0.893	4	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	Ge[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	120.8010	0.402	2	120.8010	0.161	2	119.6665	1.947	4	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	Ge[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,2|C<3>}	118.5320	0.728	2	118.5320	0.530	2	119.6665	1.947	4	120.1210	2.222	161	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[4,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[4,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[4,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	117.9670	0.757	2	117.9670	0.572	2	117.9670	0.572	2	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	117.9820	0.000	1	118.2563	0.535	3	118.2563	0.535	3	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	117.7020	0.000	1	118.2563	0.535	3	118.2563	0.535	3	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	119.0850	0.000	1	118.2563	0.535	3	118.2563	0.535	3	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[5a,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[5a,6]C[6a])(C[6]C[6]CC)(O){1|O<1>,4|C<3>}	118.1900	0.000	1	118.1900	0.000	1	118.1900	0.000	1	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]CH)(O)	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>}	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[6](N[6]C[6,6]C[6a])(C[6]C[6,6]CH)(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	116.9290	0.000	1	116.9290	0.000	1	116.3235	0.303	4	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O)	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>}	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[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	116.1217	0.458	3	116.1217	0.210	3	116.3235	0.303	4	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|H<1>,4|C<3>}	118.1070	0.000	1	118.1070	0.000	1	117.7440	1.857	6	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]CN)(O)	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>}	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[6](N[6]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|O<1>,4|C<3>}	116.3990	0.000	1	116.3990	0.000	1	117.7440	1.857	6	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|H<1>,4|C<3>}	116.7190	0.000	1	116.7190	0.000	1	117.7440	1.857	6	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O)	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>}	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[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O){4|C<3>}	120.1990	0.000	1	120.1990	0.000	1	117.7440	1.857	6	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|S<2>,4|C<3>}	117.8100	0.000	1	117.8100	0.000	1	117.7440	1.857	6	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HN)(O)	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>}	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[6](N[6]C[6,6a]C[6a])(C[6]C[6]HN)(O){1|H<1>,1|S<2>,4|C<3>}	117.2300	0.000	1	117.2300	0.000	1	117.7440	1.857	6	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-4:S-1:	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)	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(S)	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>}	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[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(S){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	118.0790	0.000	1	118.0790	0.000	1	118.0790	0.000	1	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]N[5,6]CH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]N[5,6]CH)(O){1|C<4>,4|C<3>}	117.2030	0.000	1	117.2030	0.000	1	115.7234	3.983	10	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	119.2480	0.000	1	119.2480	0.000	1	115.7234	3.983	10	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O){1|C<4>,1|O<1>,4|C<3>}	117.0180	0.000	1	117.0180	0.000	1	115.7234	3.983	10	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	116.9020	0.000	1	116.9020	0.000	1	115.7234	3.983	10	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<4>,6|C<3>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	114.4772	1.330	6	114.4772	1.770	6	115.7234	3.983	10	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O){1|C<4>,4|C<3>}	119.0990	0.000	1	119.0990	0.000	1	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){3|C<3>,3|C<4>}	116.5810	0.000	1	116.5810	0.000	1	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<2>,2|C<4>,3|C<3>}	120.1540	0.000	1	120.1540	0.000	1	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]Ir)(C[6]C[6]O){2|C<3>,7|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	113.8610	0.000	1	113.8610	0.000	1	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|N<3>,1|O<1>,2|C<3>}	116.3810	1.305	6	114.4158	5.562	12	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|N<3>,1|O<1>,2|C<3>}	112.4505	1.125	6	114.4158	5.562	12	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){3|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<2>,1|O<1>,3|C<3>}	115.8070	0.000	1	116.8263	9.708	18	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	119.4631	1.440	7	116.8263	9.708	18	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	115.0824	2.838	10	116.8263	9.708	18	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]H){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.2470	0.484	2	120.2470	0.234	2	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|O<1>}	117.9595	0.032	2	117.9595	0.001	2	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|O<1>}	119.1260	0.000	1	119.1260	0.000	1	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.7435	1.344	2	118.7435	1.807	2	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]ClC)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]ClC)(O){1|N<3>,2|C<3>,2|O<1>}	119.2440	0.626	2	119.2440	0.392	2	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]P){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|P<2>,2|C<3>}	115.5715	0.829	2	115.5715	0.688	2	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	116.4445	0.100	2	116.4445	0.010	2	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	116.8830	1.264	2	116.8830	1.598	2	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	119.1060	0.000	1	119.1060	0.000	1	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	116.2280	0.784	3	116.2280	0.614	3	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{2|C<3>,3|C<4>,4|H<1>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	117.5250	0.006	2	117.5250	0.000	2	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	118.2870	0.216	2	118.2870	0.047	2	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{2|C<3>,2|O<2>,5|H<1>}	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[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,1|O<1>,2|C<3>}	118.1080	0.467	2	118.1080	0.218	2	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|O<1>,2|C<3>,2|C<4>}	117.7600	0.877	2	117.7600	0.769	2	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,3|C<3>,5|H<1>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	116.9670	0.245	2	116.9670	0.060	2	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,3|C<3>,5|H<1>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	118.6585	0.186	2	118.5510	0.052	3	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{3|C<3>,5|H<1>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|O<1>,4|C<3>}	118.3360	0.000	1	118.5510	0.052	3	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]Br)(C[6]C[6]O){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	115.9215	0.541	2	115.9215	0.293	2	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O){3|C<3>,5|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	115.9980	0.000	1	115.9636	0.301	5	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<4>,1|N<3>,1|O<1>,2|C<3>}	116.4300	0.544	2	115.9636	0.301	5	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<6>,1|N<3>,1|O<1>,2|C<3>}	115.4800	0.069	2	115.9636	0.301	5	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]Ni)(C[6]C[6]O){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ni<3>,1|N<3>,1|O<1>,2|C<3>}	117.6970	0.595	2	117.6970	0.354	2	116.8355	5.624	75	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:S-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(S)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CH)(S){1|H<1>,1|N<3>,4|C<3>}	118.8810	0.000	1	118.8810	0.000	1	118.8810	0.000	1	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[6a]N[6])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[6a]N[6])(C[6]C[6]CC)(O){2|H<1>,4|C<3>}	123.7640	0.000	1	123.7640	0.000	1	123.7640	0.000	1	116.9353	5.295	104	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:N-2:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(NH)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CH)(NH){1|H<1>,5|C<3>}	118.0720	0.000	1	118.0720	0.000	1	118.0720	0.000	1	118.0720	0.000	1	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:C-3:	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)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(CCH)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(CCH){1|S<4>,4|C<3>}	118.3920	0.000	1	118.3920	0.000	1	118.3920	0.000	1	119.6783	2.170	4	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:C-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CHH)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CHH){1|O<1>,2|C<3>,3|C<4>}	118.6910	0.000	1	118.6910	0.000	1	119.3505	0.870	2	119.6783	2.170	4	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:C-3:	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)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CHH)	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>}	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[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CHH){1|C<4>,1|O<1>,2|C<3>}	120.0100	0.000	1	120.0100	0.000	1	119.3505	0.870	2	119.6783	2.170	4	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:P-4:C[6]-3:	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)	C[6](N[6]C[6a]C[6])(PC[6a]2Au)(C[6]C[6]H)	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>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|P<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(PC[6a]2Au)(C[6]C[6]H){2|H<1>,3|C<3>}	121.6200	0.000	1	121.6200	0.000	1	121.6200	0.000	1	119.6783	2.170	4	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:Ge[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]HH)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	120.7005	0.889	4	120.7005	0.790	4	120.7005	0.790	4	120.7005	0.790	4	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[3,6]-4:N[6]-3:O-1:	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)	C[6](C[3,6]C[6,6a]C[3]O[3])(N[6]C[6a]C[6])(O)	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>}	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[6](C[3,6]C[6,6a]C[3]O[3])(N[6]C[6a]C[6])(O){1|N<2>,5|C<3>}	117.2860	0.000	1	117.2860	0.000	1	117.2860	0.000	1	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	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[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	118.4530	1.242	2	118.4530	1.542	2	117.7812	1.667	14	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	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[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	118.1470	0.519	2	118.1470	0.269	2	117.7812	1.667	14	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O)	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>}	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[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	117.0615	0.682	4	117.0615	0.466	4	117.7812	1.667	14	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]Si)(N[6]C[6a]C[6])(O)	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>}	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[6](C[5,6]C[5,6]C[5]Si)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	118.9433	0.713	4	118.9433	0.508	4	117.7812	1.667	14	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6a]C[6])(O)	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>}	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[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6a]C[6])(O){1|H<1>,2|C<4>,4|C<3>}	115.8590	0.949	2	115.8590	0.900	2	117.7812	1.667	14	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]C[6]Si)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6]C[6,6]C[6]Si)(N[6]C[6a]C[6])(O){1|S<1>,2|C<3>,2|C<4>,4|H<1>}	116.5670	0.000	1	116.5670	0.000	1	117.3060	0.696	27	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	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[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	117.9840	1.286	2	117.9840	1.653	2	117.3060	0.696	27	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|H<1>,2|C<3>,6|C<4>}	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[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	117.0393	0.719	14	117.0393	0.517	14	117.3060	0.696	27	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,5|C<4>}	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[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	117.4022	0.395	4	117.4022	0.156	4	117.3060	0.696	27	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	117.8435	1.681	2	117.8435	2.825	2	117.3060	0.696	27	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]C[6]Si)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6]C[6,6]C[6]Si)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	117.7655	1.569	2	117.7655	2.462	2	117.3060	0.696	27	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	117.9830	0.000	1	117.6750	0.190	2	117.3060	0.696	27	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	117.3670	0.000	1	117.6750	0.190	2	117.3060	0.696	27	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:S-1:	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)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(S)	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>}	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[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(S){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	119.3190	0.000	1	119.3190	0.000	1	119.3190	0.000	1	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O)	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>}	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[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	119.9005	0.786	2	119.9005	0.617	2	119.3333	1.274	3	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O)	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>}	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[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	118.1990	0.000	1	118.1990	0.000	1	119.3333	1.274	3	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O){1|O<1>,3|C<3>,4|C<4>}	117.0870	0.000	1	117.0870	0.000	1	117.3970	0.192	2	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	117.7070	0.000	1	117.7070	0.000	1	117.3970	0.192	2	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	117.8340	0.000	1	117.8340	0.000	1	118.1573	0.667	7	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	117.0700	0.000	1	117.0700	0.000	1	118.1573	0.667	7	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	118.5915	0.787	4	118.5915	0.619	4	118.1573	0.667	7	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(O){1|H<1>,7|C<3>}	117.8310	0.000	1	117.8310	0.000	1	118.1573	0.667	7	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	117.7425	0.361	2	117.7425	0.131	2	117.1710	1.045	3	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(O){1|C<4>,5|C<3>}	116.0280	0.000	1	116.0280	0.000	1	117.1710	1.045	3	117.6588	1.159	58	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	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>}	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[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	118.1762	0.884	4	118.1762	0.782	4	118.1762	0.782	4	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CC){2|H<1>,4|C<3>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	118.0380	0.000	1	118.0380	0.000	1	119.4479	1.113	19	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CF){2|H<1>,4|C<3>}	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[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|F<1>,1|O<2>,6|C<3>}	120.3170	0.000	1	120.3170	0.000	1	119.4479	1.113	19	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	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>}	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[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	118.7080	0.000	1	118.7080	0.000	1	119.4479	1.113	19	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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	C[6](C[6,6a]C[6,6a]2)(N[6]C[6a]B[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	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[6](C[6,6a]C[6,6a]2)(N[6]C[6a]B[6])(H){2|F<1>,2|O<2>,4|C<3>}	120.1668	0.252	4	120.1668	0.063	4	119.4479	1.113	19	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	119.2376	1.126	9	119.2376	1.268	9	119.4479	1.113	19	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	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[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	121.0200	0.000	1	120.2015	1.340	2	119.4479	1.113	19	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	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[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	119.3830	0.000	1	120.2015	1.340	2	119.4479	1.113	19	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]OO){2|H<1>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,3|O<2>,4|C<3>}	118.2400	0.000	1	118.2400	0.000	1	119.4479	1.113	19	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:N[6]-3:O-1:	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)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(O)	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>}	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[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	118.8510	0.000	1	118.8510	0.000	1	118.8510	0.000	1	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:N[6]-3:O-1:	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)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6a]C[6])(O)	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>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	119.8400	0.000	1	119.8400	0.000	1	119.8400	0.000	1	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	121.0840	0.268	5	121.0840	0.072	5	121.0840	0.072	5	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	120.9150	0.042	2	120.9150	0.002	2	119.7641	3.586	7	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC){2|H<1>,4|C<3>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	117.4180	0.000	1	118.0153	0.405	3	119.7641	3.586	7	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC){3|H<1>,4|C<3>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	118.3140	0.525	2	118.0153	0.405	3	119.7641	3.586	7	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	122.7440	0.000	1	122.7440	0.000	1	119.7641	3.586	7	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]S[6]CH){2|H<1>,4|C<3>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	119.7290	0.000	1	119.7290	0.000	1	119.7641	3.586	7	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6,6]-3:N[6]-3:O-1:	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)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O)	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>}	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[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:B[6]-4:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	120.1795	1.107	2	120.1795	1.225	2	119.8923	0.860	3	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:B[6]-4:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	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>}	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[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	119.3180	0.000	1	119.3180	0.000	1	119.8923	0.860	3	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:In[6]-4:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]In[6])(H)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]In[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	117.8720	0.240	4	117.8720	0.058	4	117.8720	0.058	4	119.4590	1.768	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:	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	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	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[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|F<1>,2|H<1>,4|C<3>}	120.3180	0.000	1	120.9223	0.467	13	120.9223	0.467	13	120.9845	0.485	14	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:	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	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	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[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	120.9727	0.688	12	120.9223	0.467	13	120.9223	0.467	13	120.9845	0.485	14	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	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>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[6]C[6]2){3|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,6|C<3>}	121.7930	0.000	1	121.7930	0.000	1	121.7930	0.000	1	120.9845	0.485	14	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:B[5a]-4:B[6]-3:	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)	C[6](N[6]C[6a]C[6])(B[5a]O[5a]2O)(B[6]N[6]O)	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>}	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[6](N[6]C[6a]C[6])(B[5a]O[5a]2O)(B[6]N[6]O){1|C<4>,2|H<1>,5|C<3>}	122.9370	0.000	1	122.9370	0.000	1	122.9370	0.000	1	122.9370	0.000	1	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[3,6]-4:N[6]-3:O-1:	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)	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O)	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>}	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[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O){4|C<3>,5|H<1>}	118.0830	0.000	1	118.5800	0.494	2	118.5800	0.494	2	118.5111	0.710	13	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[3,6]-4:N[6]-3:O-1:	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)	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O)	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>}	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[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O){1|C<1>,3|C<3>,6|H<1>}	119.0770	0.000	1	118.5800	0.494	2	118.5800	0.494	2	118.5111	0.710	13	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[4,6,6]-4:N[6]-3:O-1:	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)	C[6](C[4,6,6]C[4,6]2O[6])(N[6]C[6a]C[6])(O)	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>}	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[6](C[4,6,6]C[4,6]2O[6])(N[6]C[6a]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	117.9187	0.476	3	117.9187	0.226	3	117.9187	0.226	3	118.5111	0.710	13	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O){1|O<2>,3|C<3>,5|C<4>}	117.7860	0.000	1	117.7860	0.000	1	118.7160	0.883	8	118.5111	0.710	13	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	119.4428	0.784	4	119.4428	0.615	4	118.7160	0.883	8	118.5111	0.710	13	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	118.0570	0.161	3	118.0570	0.026	3	118.7160	0.883	8	118.5111	0.710	13	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:2:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:N[6a]-2:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])2(H)	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>}	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[6](N[6]C[6a]C[6])2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	118.6020	0.000	1	118.6020	0.000	1	118.6020	0.000	1	118.6020	0.000	1	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:H-1:	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)	C[6](N[6]C[6a]C[6])(N[6]N[6])(H)	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>}	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[6](N[6]C[6a]C[6])(N[6]N[6])(H){1|C<4>,2|H<1>,3|C<3>}	119.8190	0.000	1	119.8190	0.000	1	119.8190	0.000	1	119.5462	0.849	5	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:O-1:	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)	C[6](N[6]C[6a]C[6])(O[6]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){3|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(O[6]C[6])(O){1|C<4>,2|C<3>,4|H<1>}	118.8080	0.877	2	118.8080	0.769	2	119.0523	0.563	3	119.5462	0.849	5	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:O-1:	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)	C[6](N[6]C[6a]C[6])(O[6]C[6])(O)	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>}	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[6](N[6]C[6a]C[6])(O[6]C[6])(O){1|C<4>,3|C<3>,3|H<1>}	119.5410	0.000	1	119.5410	0.000	1	119.0523	0.563	3	119.5462	0.849	5	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:S[6]-2:S-1:	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)	C[6](N[6]C[6a]C[6])(S[6]C[6])(S)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]S[6]S){2|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(S[6]C[6])(S){1|N<3>,2|C<3>,4|H<1>}	120.7550	0.000	1	120.7550	0.000	1	120.7550	0.000	1	119.5462	0.849	5	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:2:3:	C[6a]-3:S[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-2:C-3:	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	C[6](N[6]C[6a]S[6])(N[6]C[6])(CC[6a]O)	N[6](C[6a]C[6a]2)(S[6]N[6]OO)(C[6]N[6]C){2|H<1>,3|C<3>}	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[6](N[6]C[6a]S[6])(N[6]C[6])(CC[6a]O){1|N<2>,1|N<3>,2|C<3>,2|O<1>}	123.7650	0.000	1	123.7650	0.000	1	123.7650	0.000	1	123.7650	0.000	1	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6]-3:Ga[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ga[6])(H)	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(C[6a]C[6a]2){2|H<1>,4|C<3>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ga[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	119.2420	0.000	1	119.2420	0.000	1	119.2420	0.000	1	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:H-1:	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	C[6](C[6]C[6a]C[6])(N[6]C[6a]B[6])(H)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	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[6](C[6]C[6a]C[6])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	119.5620	0.000	1	119.5620	0.000	1	119.5620	0.000	1	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	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[6](N[6]C[6a]B[6])(C[6]C[6]H)(H){1|O<2>,2|F<1>,3|C<3>}	119.5630	0.000	1	119.5630	0.000	1	119.5630	0.000	1	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	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)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){2|H<1>,4|C<3>}	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[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	119.1780	0.000	1	119.1780	0.000	1	119.1780	0.000	1	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	121.0890	0.000	1	121.0890	0.000	1	120.8449	3.814	8	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	119.7050	0.000	1	119.7050	0.000	1	120.8449	3.814	8	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	120.9280	0.000	1	120.9280	0.000	1	120.8449	3.814	8	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]N)(H)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]N)(H){2|C<3>,2|C<4>,3|H<1>}	121.0990	0.000	1	121.0990	0.000	1	120.8449	3.814	8	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.0900	0.000	1	121.5380	4.817	2	120.8449	3.814	8	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.9860	0.000	1	121.5380	4.817	2	120.8449	3.814	8	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|N<2>,4|C<3>}	117.3370	0.000	1	117.3370	0.000	1	120.8449	3.814	8	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,4|H<1>}	123.5250	0.000	1	123.5250	0.000	1	120.8449	3.814	8	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]O)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]O)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	123.0970	0.000	1	123.0970	0.000	1	123.0970	0.000	1	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:Br-1:	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)	C[6](N[6]C[6a]C[6])2(Br)	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>}	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[6](N[6]C[6a]C[6])2(Br){1|C<4>,4|C<3>,4|H<1>}	122.9150	0.438	10	122.9150	0.192	10	122.9150	0.192	10	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])2(H)	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>}	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[6](N[6]C[6a]C[6])2(H){2|C<4>,3|H<1>,4|C<3>}	118.8370	0.000	1	118.8370	0.000	1	119.8775	0.903	16	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	120.7913	0.338	3	120.7913	0.115	3	119.8775	0.903	16	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]Pd)(H)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]Pd)(H){1|C<4>,2|C<3>,4|H<1>}	119.1260	0.000	1	119.1260	0.000	1	119.8775	0.903	16	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])2(H)	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>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|N<3>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])2(H){1|C<4>,2|H<1>,5|C<3>}	119.2160	0.000	1	119.7510	0.778	6	119.8775	0.903	16	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])2(H)	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>}	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[6](N[6]C[6a]C[6])2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	118.2310	0.000	1	119.7510	0.778	6	119.8775	0.903	16	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])2(H)	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>}	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[6](N[6]C[6a]C[6])2(H){1|C<4>,4|C<3>,4|H<1>}	120.3377	0.294	3	119.7510	0.778	6	119.8775	0.903	16	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])2(H)	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>}	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[6](N[6]C[6a]C[6])2(H){2|C<4>,3|H<1>,4|C<3>}	120.0460	0.000	1	119.7510	0.778	6	119.8775	0.903	16	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])2(H)	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>}	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[6](N[6]C[6a]C[6])2(H){1|C<4>,4|C<3>,4|H<1>}	119.2213	1.024	3	119.2213	1.048	3	119.8775	0.903	16	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])2(H)	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>}	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[6](N[6]C[6a]C[6])2(H){1|C<4>,4|C<3>,4|H<1>}	120.7665	0.466	2	120.7665	0.217	2	119.8775	0.903	16	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])2(O)	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>}	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[6](N[6]C[6a]C[6])2(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	119.3645	0.629	2	119.3645	0.395	2	118.1420	1.254	6	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])2(O)	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>}	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[6](N[6]C[6a]C[6])2(O){2|C<4>,3|H<1>,4|C<3>}	118.1040	0.267	2	118.1040	0.071	2	118.1420	1.254	6	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6]S)(O)	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>}	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[6](N[6]C[6a]C[6])(N[6]C[6]S)(O){1|C<4>,3|C<3>,3|H<1>}	116.9070	0.000	1	116.9070	0.000	1	118.1420	1.254	6	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])2(O)	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>}	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[6](N[6]C[6a]C[6])2(O){2|C<4>,3|H<1>,4|C<3>}	117.0080	0.000	1	117.0080	0.000	1	118.1420	1.254	6	120.5210	3.611	45	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:2:	C[6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	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	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6,6])	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>}	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[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	121.8280	0.000	1	121.8280	0.000	1	121.8280	0.000	1	121.2600	0.645	2	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:S-2:	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	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(SC)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]S){3|C<3>,3|H<1>}	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[6](N[6]C[6a]B[6])(C[6]C[6]H)(SC){1|O<2>,2|F<1>,3|C<3>}	120.6920	0.000	1	120.6920	0.000	1	120.6920	0.000	1	121.2600	0.645	2	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:	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	C[6](C[6]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2)	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>}	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[6](C[6]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2){1|N<3>,1|S<2>,2|F<1>,2|H<1>,6|C<3>}	121.5605	0.913	2	121.5605	0.833	2	121.7142	0.365	5	120.7410	3.918	21	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:	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	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2)	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>}	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[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,7|C<3>}	121.8167	0.524	3	121.8167	0.275	3	121.7142	0.365	5	120.7410	3.918	21	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:	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	C[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2)	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>}	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[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2){1|N<3>,1|S<2>,2|F<1>,2|H<1>,4|C<3>}	120.7230	0.170	2	120.7230	0.029	2	120.7144	0.286	7	120.7410	3.918	21	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:	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	C[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2)	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>}	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[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2){1|N<3>,1|S<2>,2|F<1>,2|H<1>,4|C<3>}	120.8752	0.619	4	120.8752	0.383	4	120.7144	0.286	7	120.7410	3.918	21	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:	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	C[6](N[6]C[6a]B[6])(C[6]C[6,6]H)(C[6a]C[6a]2)	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>}	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[6](N[6]C[6a]B[6])(C[6]C[6,6]H)(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	120.0540	0.000	1	120.0540	0.000	1	120.7144	0.286	7	120.7410	3.918	21	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6]-3:Ga[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[3x6]-3:N[6]-3:C[6a]-3:	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	C[6](N[3x6]Ga[4x6]Ga[6,6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2)	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>}	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[6](N[3x6]Ga[4x6]Ga[6,6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>,5|N<3>}	119.4300	0.000	1	119.4300	0.000	1	119.4300	0.000	1	120.7410	3.918	21	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6]-3:Ga[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C[6a]-3:	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	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2)	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>}	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[6](N[6,6]Ga[4x6]Ga[6])(N[6]C[6a]Ga[6])(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>,4|N<3>}	119.3990	0.000	1	119.3990	0.000	1	119.3990	0.000	1	120.7410	3.918	21	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO){1|C<4>,1|H<1>,5|C<3>}	120.7650	0.000	1	120.7650	0.000	1	120.7650	0.000	1	120.7410	3.918	21	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:B-3:	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)	C[6](N[6]C[6a]C[6])2(BBr2)	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>}	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[6](N[6]C[6a]C[6])2(BBr2){1|C<4>,4|C<3>,4|H<1>}	118.0570	0.323	4	118.0570	0.104	4	118.0570	0.104	4	120.7410	3.918	21	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:P-3:	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)	C[6](N[6]C[6a]C[6])2(PCl2)	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>}	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[6](N[6]C[6a]C[6])2(PCl2){1|C<4>,4|C<3>,4|H<1>}	125.0840	0.247	2	125.0840	0.061	2	125.0840	0.061	2	120.7410	3.918	21	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	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>}	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[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	124.0910	0.356	2	124.0910	0.127	2	122.1525	4.898	11	122.8286	4.108	24	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	121.0760	0.068	2	121.0760	0.005	2	122.1525	4.898	11	122.8286	4.108	24	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){3|H<1>,4|C<3>}	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[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|N<3>,2|F<1>,3|C<3>}	119.0110	0.000	1	119.0110	0.000	1	122.1525	4.898	11	122.8286	4.108	24	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	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>}	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[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	123.8040	1.214	4	123.8040	1.474	4	122.1525	4.898	11	122.8286	4.108	24	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	119.5585	0.596	2	119.5585	0.355	2	122.1525	4.898	11	122.8286	4.108	24	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:B-4:	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)	C[6](N[6]C[6a]C[6])2(BBr3)	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>}	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[6](N[6]C[6a]C[6])2(BBr3){1|C<4>,4|C<3>,4|H<1>}	126.5815	1.241	2	126.5815	1.540	2	126.5815	1.540	2	122.8286	4.108	24	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:Ga-4:	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)	C[6](N[6]C[6a]C[6])2(GaCCO)	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>}	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[6](N[6]C[6a]C[6])2(GaCCO){1|C<4>,4|C<3>,4|H<1>}	122.8460	0.802	2	122.8460	0.643	2	123.1328	0.363	4	122.8286	4.108	24	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:Ga-4:	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)	C[6](N[6]C[6a]C[6])2(GaCl3)	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>}	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[6](N[6]C[6a]C[6])2(GaCl3){1|C<4>,4|C<3>,4|H<1>}	123.4195	0.340	2	123.4195	0.116	2	123.1328	0.363	4	122.8286	4.108	24	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:In-4:	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)	C[6](N[6]C[6a]C[6])2(InCCO)	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>}	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[6](N[6]C[6a]C[6])2(InCCO){1|C<4>,4|C<3>,4|H<1>}	121.1360	1.256	2	121.1360	1.577	2	121.1360	1.577	2	122.8286	4.108	24	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:S[6]-4:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHP)	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>}	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](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHP){2|O<1>,4|C<3>}	123.6555	0.185	2	123.6555	0.034	2	123.6555	0.034	2	122.8286	4.108	24	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:S[6]-4:C[6]-3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHO)	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>}	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[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHO){2|O<1>,4|C<3>}	123.2455	0.323	2	123.2455	0.104	2	123.2455	0.104	2	122.8286	4.108	24	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:S[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]S[6])(C[6]C[6]H)(CH3)	N[6](C[6a]C[6a]2)(S[6]C[6]OO)(C[6]C[6]C){3|C<3>,4|H<1>}	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[6](N[6]C[6a]S[6])(C[6]C[6]H)(CH3){1|C<4>,2|O<1>,3|C<3>}	122.4410	0.000	1	122.4410	0.000	1	122.4410	0.000	1	122.8286	4.108	24	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	119.7550	0.000	1	119.7550	0.000	1	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	117.4390	0.000	1	117.4390	0.000	1	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	119.0790	0.129	2	119.0790	0.017	2	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	119.3010	0.000	1	119.3010	0.000	1	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.3590	0.000	1	119.3032	0.468	4	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.9210	0.779	2	119.3032	0.468	4	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.0120	0.000	1	119.3032	0.468	4	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	118.7630	0.000	1	118.7630	0.000	1	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	120.4210	0.000	1	120.4210	0.000	1	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){2|H<1>,4|C<3>}	120.5590	0.000	1	120.6930	0.124	3	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){2|H<1>,4|C<3>}	120.7600	0.471	2	120.6930	0.124	3	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	123.5000	0.000	1	122.0820	1.744	3	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	121.3730	0.687	2	122.0820	1.744	3	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	114.8025	0.571	2	116.6725	2.331	8	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.2958	1.155	6	116.6725	2.331	8	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	115.7520	1.107	2	115.7520	1.226	2	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	119.4090	0.464	2	119.4090	0.215	2	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|N<3>,1|O<1>,1|P<3>,2|C<3>}	117.1190	0.382	2	117.1190	0.146	2	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|S<2>}	116.1485	1.057	2	116.1485	1.118	2	118.4731	4.556	33	118.4731	4.556	33	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O){4|H<1>,5|C<3>}	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:2:1:	C[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[6]-2:O-1:	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)	C[6](N[6]C[6,6]C[6a])(O[6]C[6])(O)	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>}	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[6](N[6]C[6,6]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	117.0190	0.000	1	117.0190	0.000	1	117.0190	0.000	1	119.3281	2.433	21	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:H-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H){1|H<1>,1|N<3>,4|C<3>}	119.5050	0.000	1	119.5050	0.000	1	121.2524	1.187	5	119.3281	2.433	21	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:H-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H){2|H<1>,4|C<3>}	121.6893	0.557	4	121.6893	0.310	4	121.2524	1.187	5	119.3281	2.433	21	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:O-1:	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)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]O){2|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O){1|C<4>,1|H<1>,4|C<3>}	116.7520	0.000	1	116.7520	0.000	1	118.8406	1.178	15	119.3281	2.433	21	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:O-1:	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)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O)	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>}	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[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O){1|H<1>,5|C<3>}	118.3107	0.401	3	118.3107	0.161	3	118.8406	1.178	15	119.3281	2.433	21	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:O-1:	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)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O){2|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O){2|H<1>,4|C<3>}	119.1750	0.987	11	119.1750	0.974	11	118.8406	1.178	15	119.3281	2.433	21	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:2:2:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:S[6]-2:N-2:	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)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	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>}	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[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,4|C<3>}	118.9370	0.000	1	118.9370	0.000	1	118.9370	0.000	1	118.9370	0.000	1	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:2:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:S[6]-2:N-3:	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	C[6](N[6]C[6a]Ge[6])(S[6]Ga[6])(NCC)	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>}	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[6](N[6]C[6a]Ge[6])(S[6]Ga[6])(NCC){1|C<2>,1|N<3>,2|C<4>,3|C<3>}	118.6320	0.000	1	118.6320	0.000	1	118.6320	0.000	1	120.0870	4.234	2	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:2:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-2:N-3:	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	C[6](N[6]C[6a]Si[6])(N[6]C[6])(NCC)	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]N[6]N){2|C<4>,3|C<3>}	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[6](N[6]C[6a]Si[6])(N[6]C[6])(NCC){2|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	121.5420	0.000	1	121.5420	0.000	1	121.5420	0.000	1	120.0870	4.234	2	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[3x6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[3x6]C[6a])(H)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]B[3x6]C[6a])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	119.1190	0.000	1	119.1190	0.000	1	119.1190	0.000	1	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[5,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5,6]C[6a])(H)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5,6]C[6a])(H){1|H<1>,1|O<2>,6|C<3>}	117.4497	1.020	3	117.4497	1.040	3	117.4497	1.040	3	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[5a,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5a,6]C[6a])(H)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5a,6]C[6a])(H){1|H<1>,3|O<2>,4|C<3>}	120.0440	0.000	1	120.0440	0.000	1	120.0440	0.000	1	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	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>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,6|C<3>}	118.3812	0.837	5	118.3812	0.701	5	118.3812	0.701	5	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-1:	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	C[6](N[6]C[6a]B[6])(N[6]C[6]2)(O)	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>}	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[6](N[6]C[6a]B[6])(N[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	115.9001	0.695	7	115.9001	0.483	7	115.8978	0.414	8	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-1:	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	C[6](N[6]C[6a]B[6])(N[6]C[6a]C[6])(O)	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,8|C<3>}	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[6](N[6]C[6a]B[6])(N[6]C[6a]C[6])(O){1|O<2>,7|C<3>}	115.8810	0.000	1	115.8810	0.000	1	115.8978	0.414	8	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(O)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(O){1|H<1>,1|N<3>,6|C<3>}	119.1330	0.000	1	119.1330	0.000	1	119.1330	0.000	1	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:O-1:	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	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(O)	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>}	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[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(O){1|C<4>,2|H<1>,4|C<3>}	117.5640	0.771	2	117.5640	0.594	2	117.5640	0.594	2	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-1:	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	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O)	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>}	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[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	117.6160	0.000	1	117.6160	0.000	1	118.0030	1.556	3	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-1:	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	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O)	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>}	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[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,7|C<3>}	118.1965	1.699	2	118.1965	2.887	2	118.0030	1.556	3	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]C)(H)	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>}	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[6](N[6]C[6,6]C[6a])(C[6]C[6,6]C)(H){2|C<4>,2|H<1>,3|C<3>}	122.6410	0.000	1	122.6410	0.000	1	122.6410	0.000	1	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-1:	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	C[6](N[6]C[6,6]C[6a])(N[6]C[6]S)(O)	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>}	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[6](N[6]C[6,6]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,4|C<3>}	117.9980	0.000	1	117.9980	0.000	1	117.9980	0.000	1	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	119.9750	0.000	1	120.7050	0.423	3	120.7050	0.423	3	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	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>}	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[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	121.2220	0.000	1	120.7050	0.423	3	120.7050	0.423	3	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	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>}	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[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.9180	0.000	1	120.7050	0.423	3	120.7050	0.423	3	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:N[6]-3:O-1:	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)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O)	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>}	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[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	122.1940	0.000	1	122.1940	0.000	1	120.8790	1.612	3	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:N[6]-3:O-1:	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)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O)	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>}	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[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	120.2215	0.794	2	120.2215	0.631	2	120.8790	1.612	3	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	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>}	C[6a](C[6a]C[6a]C)2(N[6]C[6]2){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|N<3>,2|H<1>,5|C<3>}	122.8040	0.000	1	122.8040	0.000	1	122.8040	0.000	1	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	122.2440	0.000	1	122.2440	0.000	1	120.0268	0.944	11	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	119.9060	0.000	1	119.9060	0.000	1	120.0268	0.944	11	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|S<3>,2|H<1>,5|C<3>}	118.7180	0.000	1	119.7939	0.502	9	120.0268	0.944	11	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	120.0920	0.000	1	119.7939	0.502	9	120.0268	0.944	11	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|S<2>,2|H<1>,5|C<3>}	119.9050	0.669	7	119.7939	0.502	9	120.0268	0.944	11	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:O-1:	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)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(O)	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>}	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[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,5|C<3>}	119.6850	0.000	1	119.6850	0.000	1	119.6850	0.000	1	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(H)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(H){1|H<1>,5|C<3>}	115.0510	0.000	1	115.0510	0.000	1	118.3076	4.517	5	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){6|C<3>}	118.2765	0.384	2	118.2765	0.147	2	118.3076	4.517	5	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|C<4>,4|C<3>}	119.0170	0.000	1	119.0170	0.000	1	118.3076	4.517	5	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	120.9170	0.000	1	120.9170	0.000	1	118.3076	4.517	5	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,4|C<3>}	122.5735	0.118	2	122.5735	0.014	2	122.3063	0.221	3	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(O)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	121.7720	0.000	1	121.7720	0.000	1	122.3063	0.221	3	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])2(O)	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>}	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[6](N[6]C[6a]C[6])2(O){2|C<4>,3|H<1>,4|C<3>}	118.0363	0.813	3	118.0363	0.660	3	118.2525	1.743	10	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	120.2120	0.194	2	120.2120	0.038	2	118.2525	1.743	10	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){1|O<2>,5|C<3>}	117.7355	0.343	2	117.7355	0.118	2	118.2525	1.743	10	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){2|H<1>,4|C<3>}	118.2965	0.668	2	118.2965	0.447	2	118.2525	1.743	10	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])2(O)	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>}	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[6](N[6]C[6a]C[6])2(O){2|H<1>,6|C<3>}	115.9280	0.000	1	115.9280	0.000	1	118.2525	1.743	10	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	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[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S){1|C<4>,1|H<1>,4|C<3>}	120.5980	1.427	3	120.5980	2.036	3	120.5980	2.036	3	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6a]C[6])(H)	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6a]C[6])(H){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	116.5250	1.065	2	116.5250	1.134	2	116.5250	1.134	2	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	Ge[4,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(H)	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>}	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[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(H){2|As<2>,1|H<1>,1|N<3>,2|C<3>}	115.5945	0.242	4	115.5945	0.059	4	115.5945	0.059	4	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	In[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H)	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>}	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[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H){1|Cl<1>,1|In<4>,1|H<1>,1|N<3>,4|C<3>}	115.8142	0.882	6	115.8142	0.778	6	117.1162	2.318	12	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	In[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H)	N[6](In[6]N[6]ClS)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	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[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	118.5588	0.583	4	118.5588	0.340	4	117.1162	2.318	12	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	In[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H)	N[6](In[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	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[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,2|N<3>,4|C<3>}	118.1375	0.033	2	118.1375	0.001	2	117.1162	2.318	12	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	P[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:O-1:	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	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(O)	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>}	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[6](N[6]C[6a]P[6])(C[6]C[6]C)(O){1|Cl<1>,1|C<4>,1|O<1>,1|O<2>,2|C<3>}	118.6120	0.000	1	118.6120	0.000	1	118.6120	0.000	1	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.6180	0.000	1	119.6180	0.000	1	119.6180	0.000	1	118.4753	4.365	86	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:2:	B[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	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	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	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>}	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[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	120.3370	0.000	1	120.3370	0.000	1	119.8653	0.768	7	121.2144	2.574	15	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:2:	B[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	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	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	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>}	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[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	119.7726	1.042	5	119.7867	0.870	6	119.8653	0.768	7	121.2144	2.574	15	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:2:	B[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	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	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	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>}	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[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	119.8570	0.000	1	119.7867	0.870	6	119.8653	0.768	7	121.2144	2.574	15	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:2:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	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>}	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[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|C<2>,3|H<1>,6|C<3>}	123.6610	0.703	2	123.2927	0.654	3	122.8423	0.546	6	121.2144	2.574	15	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:2:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	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>}	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[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|C<4>,3|H<1>,6|C<3>}	122.5560	0.000	1	123.2927	0.654	3	122.8423	0.546	6	121.2144	2.574	15	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:2:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<2>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,7|C<3>}	122.6660	0.000	1	122.6660	0.000	1	122.8423	0.546	6	121.2144	2.574	15	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:2:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	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>}	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[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|N<3>,3|H<1>,6|C<3>}	122.2550	0.304	2	122.2550	0.092	2	122.8423	0.546	6	121.2144	2.574	15	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:2:	Ga[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	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	C[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)(N[6]Ga[6,6])	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>}	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[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)(N[6]Ga[6,6]){1|N<3>,1|O<3>,2|H<1>,3|C<4>,4|C<3>}	121.0630	0.000	1	121.0630	0.000	1	121.0525	0.000	2	121.2144	2.574	15	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:2:	Ga[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	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	C[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)(N[6]Ga[6,6])	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>}	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[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)(N[6]Ga[6,6]){1|N<3>,1|O<3>,2|H<1>,3|C<4>,4|C<3>}	121.0420	0.000	1	121.0420	0.000	1	121.0525	0.000	2	121.2144	2.574	15	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	B[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:	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	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2)	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>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,9|C<3>}	121.1380	0.000	1	121.1380	0.000	1	121.1380	0.000	1	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(COO)	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>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(COO){6|C<3>}	120.1040	0.000	1	120.1040	0.000	1	120.1040	0.000	1	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C[6a]-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	116.2230	0.000	1	116.2230	0.000	1	118.5445	10.779	2	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C[6a]-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	120.8660	0.000	1	120.8660	0.000	1	118.5445	10.779	2	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:C-3:	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)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){3|H<1>,5|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O){1|H<1>,7|C<3>}	117.0135	0.473	2	117.0135	0.224	2	117.0135	0.224	2	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|N<3>,3|C<3>,3|H<1>}	122.4279	0.855	13	122.4279	0.730	13	122.4279	0.730	13	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Ga[4,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[4,6]-3:N[6]-3:C[6a]-3:	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	C[6](N[4,6]Ga[4,6,6]Ga[4,6])(N[6]Ga[4,6]C[6a])(C[6a]C[6a]2)	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>}	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[6](N[4,6]Ga[4,6,6]Ga[4,6])(N[6]Ga[4,6]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<3>,2|N<4>,3|C<4>,4|C<3>}	118.6170	0.000	1	118.6170	0.000	1	118.6170	0.000	1	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Ga[4x6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:	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	C[6](N[6]Ga[4x6]C[6a])(N[6]Ga[6,6]H)(C[6a]C[6a]2)	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>}	C[6a](N[6]Ga[4x6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|N<3>}	C[6](N[6]Ga[4x6]C[6a])(N[6]Ga[6,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>,4|N<3>}	119.9390	0.000	1	119.9390	0.000	1	119.9390	0.000	1	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Ga[6,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C[6a]-3:	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	C[6](N[6,6]Ga[4x6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2)	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>}	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[6](N[6,6]Ga[4x6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>,5|N<3>}	117.7860	0.000	1	117.7860	0.000	1	119.4665	5.648	2	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Ga[6,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C[6a]-3:	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	C[6](N[6,6]Ga[6,6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2)	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>}	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[6](N[6,6]Ga[6,6]Ga[6])(N[6]Ga[6,6]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<3>,2|H<1>,2|N<2>,4|C<3>,4|C<4>}	121.1470	0.000	1	121.1470	0.000	1	119.4665	5.648	2	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	118.1350	0.297	2	118.1350	0.088	2	118.3187	0.145	3	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	118.6860	0.000	1	118.6860	0.000	1	118.3187	0.145	3	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){2|C<3>,2|C<4>,2|N<3>}	116.7110	0.000	1	116.7110	0.000	1	117.3134	2.416	5	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,2|N<3>,3|C<3>}	115.3500	0.000	1	115.3500	0.000	1	117.3134	2.416	5	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|N<3>,2|C<3>,3|C<4>}	117.2260	0.000	1	117.2260	0.000	1	117.3134	2.416	5	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	117.6610	0.000	1	117.6610	0.000	1	117.3134	2.416	5	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	119.6190	0.000	1	119.6190	0.000	1	117.3134	2.416	5	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CHH){1|N<3>,2|C<3>,3|C<4>}	115.6230	0.000	1	115.6230	0.000	1	115.6230	0.000	1	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|F<1>,1|N<3>,3|C<3>}	117.6060	0.000	1	117.6060	0.000	1	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	117.9380	0.000	1	117.9380	0.000	1	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,4|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,2|N<3>,3|C<3>}	117.4690	0.713	2	117.4690	0.508	2	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	116.7770	0.000	1	116.4250	0.248	2	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	116.0730	0.000	1	116.4250	0.248	2	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|P<3>,2|C<3>,2|N<3>}	117.7660	0.000	1	117.7660	0.000	1	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){2|Br<1>,1|C<4>,1|N<3>,2|C<3>}	117.4135	0.887	2	117.4135	0.788	2	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	116.5850	0.000	1	116.5850	0.000	1	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Br<1>,1|C<4>,2|C<3>,2|N<3>}	116.3825	0.767	2	116.3825	0.589	2	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	115.2855	0.033	2	115.2855	0.001	2	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	116.3770	0.000	1	116.3770	0.000	1	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	116.5680	0.000	1	116.5680	0.000	1	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	116.8070	0.000	1	116.8070	0.000	1	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>}	119.6190	0.000	1	119.6190	0.000	1	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	119.3910	0.957	2	119.3910	0.917	2	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	115.4280	1.159	3	115.4280	1.344	3	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|H<1>,3|C<3>,3|N<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,2|C<3>,3|N<3>}	117.6150	0.000	1	117.6150	0.000	1	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	116.8650	0.000	1	116.8650	0.000	1	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Si<4>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	117.0560	0.000	1	117.0560	0.000	1	116.9930	1.702	26	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:N-3:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	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>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|C<3>,3|H<1>,3|N<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|H<1>,2|C<3>,3|N<3>}	122.7215	0.503	2	122.7215	0.253	2	122.7215	0.253	2	118.7636	6.823	60	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	B[5a,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	123.1530	0.000	1	123.1530	0.000	1	121.8063	2.322	3	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	B[5a,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	121.1330	1.387	2	121.1330	1.925	2	121.8063	2.322	3	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3)	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,9|C<3>}	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[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,4|C<3>}	119.1800	0.000	1	119.1800	0.000	1	120.8950	5.518	7	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3)	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|H<1>,9|C<3>}	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[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,4|C<3>}	119.5230	0.000	1	119.5230	0.000	1	120.8950	5.518	7	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]B[6])(C[6]C[6]N)(CH3)	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>}	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[6](N[6]C[6a]B[6])(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,4|C<3>}	120.3540	0.000	1	120.3540	0.000	1	120.8950	5.518	7	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){2|Br<1>,1|C<4>,1|N<3>,2|C<3>}	119.3740	0.000	1	119.3740	0.000	1	120.8950	5.518	7	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	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>}	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[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	123.9970	2.307	2	123.9970	5.320	2	120.8950	5.518	7	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	119.8400	0.000	1	119.8400	0.000	1	120.8950	5.518	7	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:B-4:	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	C[6](N[6]C[5,6]C[6a])2(BF3)	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>}	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[6](N[6]C[5,6]C[6a])2(BF3){2|H<1>,3|C<4>,4|C<3>}	121.5765	0.168	2	121.5765	0.028	2	121.5765	0.028	2	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	124.0240	0.000	1	124.0240	0.000	1	123.8997	1.308	3	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.6990	0.000	1	122.6990	0.000	1	123.8997	1.308	3	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CFFH)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]H)(CFFH){1|H<1>,1|N<2>,4|C<3>}	124.9760	0.000	1	124.9760	0.000	1	123.8997	1.308	3	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[4,4,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Ga[4,4,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Ga[4,4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	120.8346	1.074	8	120.8346	1.153	8	120.8346	1.153	8	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[4,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3){2|As<2>,1|C<4>,1|N<3>,2|C<3>}	120.8635	0.668	2	120.8635	0.447	2	118.3445	8.658	4	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[4,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|S<2>}	115.8255	0.384	2	115.8255	0.147	2	118.3445	8.658	4	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[5,5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	120.4447	1.099	4	120.4447	1.207	4	119.2680	2.196	8	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[5,5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	118.0913	0.475	4	118.0913	0.225	4	119.2680	2.196	8	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|N<3>}	121.1640	0.410	2	121.1640	0.168	2	119.0254	4.480	8	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	119.3785	1.051	2	118.3125	3.800	6	119.0254	4.480	8	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,1|P<4>,2|C<3>}	117.7795	2.197	4	118.3125	3.800	6	119.0254	4.480	8	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C-4:	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	C[6](N[6]Ga[6,6]C[6a])(N[6]Ga[6,6]H)(CH3)	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>}	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[6](N[6]Ga[6,6]C[6a])(N[6]Ga[6,6]H)(CH3){2|C<3>,2|C<4>,3|N<3>}	118.8100	0.963	2	118.8100	0.928	2	118.8100	0.928	2	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|As<3>,1|N<3>,2|C<3>,2|C<4>}	119.3035	1.220	2	119.3035	1.488	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	119.1745	0.384	2	119.1745	0.147	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|P<2>,2|C<3>,2|N<3>}	117.9345	0.378	2	117.9345	0.143	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Bi<3>,1|N<3>,2|C<3>,2|C<4>}	120.4325	0.230	2	120.4325	0.053	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	120.1099	0.921	8	120.1099	0.848	8	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	121.0630	1.278	2	121.0630	1.634	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	120.5845	1.146	2	120.5845	1.314	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Co<5>,1|C<4>,1|N<3>,2|C<3>}	119.8860	0.132	2	119.8860	0.017	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	118.4735	0.060	2	118.4735	0.004	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Rh<9>,1|C<4>,1|N<3>,2|C<3>}	120.2920	1.304	2	120.2920	1.700	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Sb<3>,1|C<4>,1|N<3>,2|C<3>}	120.3815	0.584	6	120.3815	0.341	6	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>}	121.6540	0.000	1	121.6540	0.000	1	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Sn<4>,1|C<4>,1|N<3>,2|C<3>}	119.9642	0.762	4	119.9642	0.581	4	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<3>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	125.5030	0.000	1	125.2230	1.619	3	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<4>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	125.0830	1.766	2	125.2230	1.619	3	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.7315	1.461	6	121.7315	2.134	6	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	120.0485	2.606	2	120.0485	6.790	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|In<3>,1|N<3>,2|C<3>,2|C<4>}	118.3810	0.717	4	118.7193	0.904	6	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|In<4>,1|N<3>,2|C<3>,2|C<4>}	119.3960	1.266	2	118.7193	0.904	6	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	119.2050	1.427	2	119.2050	2.036	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	119.7000	1.291	2	119.7000	1.667	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Ni<5>,1|C<4>,1|N<3>,2|C<3>}	119.2420	1.738	2	119.2420	3.021	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	118.3240	0.044	2	118.3240	0.002	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|I<1>,1|N<3>,1|P<4>,2|C<3>}	119.3400	0.887	2	119.3400	0.786	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Rh<9>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	119.9130	2.066	2	119.9130	4.269	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Te<2>,1|C<4>,1|N<3>,2|C<3>}	118.7610	0.281	2	117.9862	0.910	4	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Te<3>,1|C<4>,1|N<3>,2|C<3>}	117.2115	0.499	2	117.9862	0.910	4	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Te<2>,1|N<3>,2|C<3>,2|C<4>}	119.4530	0.000	1	119.4530	0.000	1	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Zn<2>,1|N<3>,2|C<3>,2|C<4>}	119.8937	1.153	4	119.8937	1.329	4	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	118.0000	0.823	2	118.0000	0.677	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,1|P<3>,2|C<3>}	120.2110	1.930	2	120.2110	3.726	2	119.9529	2.949	79	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ge[4,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<2>}	115.5370	0.393	2	115.5370	0.155	2	115.5370	0.155	2	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,1|O<1>,4|C<3>}	117.3110	0.656	2	117.3110	0.431	2	120.0103	1.507	35	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Ag<2>,1|C<4>,1|N<3>,3|C<3>}	121.9990	0.588	2	121.9990	0.346	2	120.0103	1.507	35	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	119.5565	0.892	4	119.5565	0.796	4	120.0103	1.507	35	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|S<1>,2|C<3>}	120.6605	1.078	4	120.6605	1.162	4	120.0103	1.507	35	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Se<1>,1|C<4>,1|N<3>,2|C<3>}	119.5015	0.013	2	119.5015	0.000	2	120.0103	1.507	35	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	N[6](Ge[6]N[6]ClW)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,4|C<3>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|W<6>,2|C<3>}	120.1510	0.486	2	120.1510	0.237	2	120.0103	1.507	35	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|S<1>,2|C<3>}	120.7890	0.643	4	120.7890	0.414	4	120.0103	1.507	35	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Fe<5>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	120.2310	0.369	2	120.2310	0.136	2	120.0103	1.507	35	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Mn<8>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	118.3490	0.849	2	118.3490	0.720	2	120.0103	1.507	35	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<2>,2|N<3>,3|C<3>}	119.7890	0.000	1	119.7890	0.000	1	120.0103	1.507	35	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	120.2590	0.458	4	120.2590	0.210	4	120.0103	1.507	35	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Ge[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Se<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	120.0710	1.241	6	120.0710	1.541	6	120.0103	1.507	35	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	In[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Br<1>,1|In<4>,1|C<4>,1|N<3>,2|C<3>}	117.5135	0.008	2	117.5135	0.000	2	120.4311	2.258	21	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	In[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Bi<3>,1|N<3>,2|C<3>,2|C<4>}	119.8485	0.131	2	119.8485	0.017	2	120.4311	2.258	21	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	In[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	121.7185	0.612	2	121.7185	0.374	2	120.4311	2.258	21	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	In[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	120.9745	1.821	2	120.9745	3.315	2	120.4311	2.258	21	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	In[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|I<1>,1|N<3>,2|C<3>,2|C<4>}	119.6100	0.000	1	119.6100	0.000	1	120.4311	2.258	21	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	In[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Fe<8>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	120.6143	1.189	6	120.6143	1.414	6	120.4311	2.258	21	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	In[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	121.0145	2.396	2	121.0145	5.743	2	120.4311	2.258	21	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	In[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	N[6](In[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,4|C<3>}	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[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	121.5975	1.193	2	121.5975	1.423	2	120.4311	2.258	21	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	In[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|S<2>}	120.2115	1.109	2	120.2115	1.231	2	120.4311	2.258	21	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Nb[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	120.3285	0.907	2	119.9471	0.526	7	119.9471	0.526	7	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Nb[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	119.9530	0.689	4	119.9471	0.526	7	119.9471	0.526	7	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Nb[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	119.1610	0.000	1	119.9471	0.526	7	119.9471	0.526	7	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|C<3>}	116.8460	0.000	1	116.8460	0.000	1	117.8110	0.964	5	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){2|N<3>,4|C<3>}	116.6600	0.000	1	116.6600	0.000	1	117.8110	0.964	5	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	118.2490	0.000	1	118.2490	0.000	1	117.8110	0.964	5	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|O<2>,2|N<3>,3|C<3>}	118.6460	0.000	1	118.6460	0.000	1	117.8110	0.964	5	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|O<2>,2|N<3>,3|C<3>}	118.6540	0.000	1	118.6540	0.000	1	117.8110	0.964	5	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	117.0550	0.000	1	117.0550	0.000	1	117.0550	0.000	1	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Br<1>,1|N<3>,3|C<3>}	117.9610	0.884	2	117.9610	0.781	2	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|F<1>,1|N<3>,4|C<3>}	118.6140	0.000	1	118.6140	0.000	1	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,4|C<3>}	116.9610	0.000	1	116.9610	0.000	1	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|N<3>,4|C<3>}	118.1150	1.810	2	118.1150	3.277	2	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|O<1>,2|N<3>,3|C<3>}	117.0430	0.000	1	117.3510	0.190	2	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|O<2>,2|N<3>,3|C<3>}	117.6590	0.000	1	117.3510	0.190	2	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|P<3>,2|N<3>,3|C<3>}	116.9890	0.000	1	116.9890	0.000	1	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Br<1>,1|N<3>,3|C<3>}	118.0315	0.251	2	118.0315	0.063	2	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<1>,1|C<4>,1|N<3>,3|C<3>}	118.2160	0.000	1	118.2160	0.000	1	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<1>,2|N<3>,3|C<3>}	116.8700	0.532	2	116.8700	0.283	2	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,4|C<3>}	117.5680	0.059	2	117.5680	0.004	2	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|N<3>,3|C<3>}	117.4590	0.000	1	117.4590	0.000	1	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>}	118.1510	0.000	1	118.1510	0.000	1	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,1|P<3>,3|C<3>}	118.5230	0.000	1	118.5230	0.000	1	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Si<4>,1|N<3>,3|C<3>}	121.0920	0.000	1	121.0920	0.000	1	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,2|N<3>,3|C<3>}	118.6175	0.465	2	118.6175	0.216	2	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	117.9530	0.323	3	117.9530	0.105	3	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){3|C<3>,3|N<3>}	117.9160	0.000	1	117.9160	0.000	1	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	117.8100	0.658	3	117.8100	0.433	3	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	118.6640	0.864	2	118.6640	0.747	2	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,1|S<2>,2|C<3>}	118.5040	0.253	2	118.5040	0.064	2	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|N<3>,2|P<3>,3|C<3>}	118.0260	0.000	1	118.0260	0.000	1	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Se<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	118.5825	0.260	2	119.2720	0.716	4	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Se<2>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	119.9615	0.422	2	119.2720	0.716	4	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Si<4>,1|N<3>,1|O<2>,3|C<3>}	117.3490	0.000	1	117.3490	0.000	1	118.1292	0.891	39	119.6586	3.316	234	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	117.3398	0.389	4	117.3398	0.151	4	117.0527	2.062	27	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|H<1>,4|C<3>}	116.9390	0.000	1	116.9390	0.000	1	117.0527	2.062	27	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	118.5535	0.193	2	116.7309	3.120	14	117.0527	2.062	27	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	118.3555	1.057	2	116.7309	3.120	14	117.0527	2.062	27	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	116.0160	0.851	2	116.7309	3.120	14	117.0527	2.062	27	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	118.6085	0.084	2	116.7309	3.120	14	117.0527	2.062	27	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	115.0302	1.156	4	116.7309	3.120	14	117.0527	2.062	27	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	115.5225	0.419	2	116.7309	3.120	14	117.0527	2.062	27	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	118.9100	0.768	2	118.9100	0.590	2	117.0527	2.062	27	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	116.5768	0.578	4	116.5768	0.334	4	117.0527	2.062	27	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[3,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|P<2>,3|C<3>}	117.8830	0.178	2	117.8830	0.032	2	117.0527	2.062	27	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	117.1120	0.700	2	117.0397	0.253	4	116.8710	0.332	5	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	116.9675	0.497	2	117.0397	0.253	4	116.8710	0.332	5	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	116.1960	0.000	1	116.1960	0.000	1	116.8710	0.332	5	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[6,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	117.4240	0.752	2	117.4240	0.566	2	117.4240	0.566	2	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|B<3>,2|C<3>}	115.2650	0.000	1	115.2650	0.000	1	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.3500	0.147	2	119.3500	0.022	2	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.3125	1.109	2	117.3125	1.231	2	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,4|C<3>}	118.1800	0.000	1	118.1800	0.000	1	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[5,6]CH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.8020	0.000	1	121.8020	0.000	1	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]CH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6,6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	117.5120	0.000	1	117.5120	0.000	1	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]N[6,6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]N[6,6]HH)(O){1|C<4>,1|H<1>,4|C<3>}	118.2810	0.715	3	118.2810	0.511	3	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]O[6]CC)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]O[6]CC)(O){1|C<4>,2|C<3>,2|H<1>}	120.0480	0.651	2	120.0480	0.423	2	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	120.5610	0.000	1	120.5610	0.000	1	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,7|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	117.3220	0.000	1	117.3220	0.000	1	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	117.3090	0.000	1	117.3090	0.000	1	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	118.4860	0.866	3	118.4098	0.524	4	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,3|C<3>,3|C<4>}	118.1810	0.000	1	118.4098	0.524	4	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	118.2430	0.000	1	118.2430	0.000	1	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|N<3>,2|H<1>,4|C<3>}	119.4410	0.000	1	119.4410	0.000	1	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|S<3>,3|C<3>,3|H<1>}	118.3290	0.000	1	118.7366	1.721	5	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|S<2>,3|C<3>,3|H<1>}	118.8385	1.492	4	118.7366	1.721	5	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(O)	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>}	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[6](N[6]C[6a]C[6])(C[6]C[6]HN)(O){1|S<3>,3|C<3>,3|H<1>}	117.5740	0.533	2	117.5740	0.284	2	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,4|C<4>}	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[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.6860	0.247	2	118.6860	0.061	2	118.5078	1.775	31	117.7441	2.246	65	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	4:3:1:	C[5,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	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>}	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[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	117.8940	0.000	1	117.7543	1.318	3	117.7543	1.318	3	118.9071	2.782	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	4:3:1:	C[5,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	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>}	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[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	116.5430	0.000	1	117.7543	1.318	3	117.7543	1.318	3	118.9071	2.782	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	4:3:1:	C[5,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	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>}	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[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	118.8260	0.000	1	117.7543	1.318	3	117.7543	1.318	3	118.9071	2.782	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-4:N[6]-3:O-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)	C[6a](C[6,6a]C[6,6a]C[6])(N[6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(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){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	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](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	118.0000	0.000	1	118.1975	0.078	2	118.1975	0.078	2	118.9071	2.782	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	4:3:1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5,6]-4:N[6]-3:O-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)	C[6a](C[6,6a]C[6,6a]C[6])(N[6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(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){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	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](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	118.3950	0.000	1	118.1975	0.078	2	118.1975	0.078	2	118.9071	2.782	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	4:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O)	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>}	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[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	118.7990	0.000	1	119.1030	0.185	2	119.1030	0.185	2	118.9071	2.782	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	4:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O)	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>}	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[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	119.4070	0.000	1	119.1030	0.185	2	119.1030	0.185	2	118.9071	2.782	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	4:3:1:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	117.8350	0.000	1	117.8350	0.000	1	117.8350	0.000	1	118.9071	2.782	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	4:3:1:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(O)	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>}	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[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(O){2|H<1>,4|C<3>}	121.6860	0.687	2	121.6860	0.472	2	121.6860	0.472	2	118.9071	2.782	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	4:3:2:	C[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:N-2:	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)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(NS)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]N){4|C<3>,4|H<1>}	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[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(NS){2|H<1>,4|C<3>}	122.6830	0.000	1	122.6830	0.000	1	122.6830	0.000	1	122.6830	0.000	1	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:2:3:	Si[4,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-2:N-3:	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	C[6](N[6]Si[4,6]C[6a])(N[6]C[6])(NCC)	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>}	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[6](N[6]Si[4,6]C[6a])(N[6]C[6])(NCC){2|C<3>,2|F<1>,3|N<3>}	118.0420	0.000	1	118.0420	0.000	1	118.0420	0.000	1	118.0420	0.000	1	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:1:	In[4,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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	C[6](N[6]In[4,6]C[6a])(C[6]C[6a]C[6])(H)	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>}	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[6](N[6]In[4,6]C[6a])(C[6]C[6a]C[6])(H){1|Cl<1>,1|H<1>,1|N<3>,2|O<3>,4|C<3>}	115.7550	0.857	2	115.7550	0.734	2	115.7550	0.734	2	115.2310	6.007	4	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:1:	Si[6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	114.7070	4.023	2	114.7070	16.188	2	114.7070	16.188	2	115.2310	6.007	4	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:3:	Si[3,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-3:	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	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CHH)	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>}	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[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|O<2>,3|C<3>}	113.7640	0.000	1	113.7640	0.000	1	113.7640	0.000	1	113.7640	0.000	1	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Ga[3,3,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Ga[3,3,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Ga[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Ga<5>,1|C<4>,1|N<3>,2|C<3>,2|O<2>}	114.8480	0.696	2	114.8480	0.484	2	114.8480	0.484	2	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Nb[3,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	118.9815	1.200	2	118.9815	1.440	2	118.9815	1.440	2	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Nb[4,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	116.7610	0.000	1	117.3790	0.764	2	117.3790	0.764	2	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Nb[4,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,2|N<2>}	117.9970	0.000	1	117.3790	0.764	2	117.3790	0.764	2	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Nb[6,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[6,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[6,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	116.0440	0.635	2	116.0440	0.403	2	116.0440	0.403	2	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Nb[6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<2>,1|N<3>,3|C<3>}	116.3757	1.685	6	116.3757	2.841	6	116.1546	1.638	36	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Nb[6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>,3|C<3>}	116.5113	1.466	4	116.5113	2.149	4	116.1546	1.638	36	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Nb[6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	116.8815	1.102	2	116.8815	1.215	2	116.1546	1.638	36	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Nb[6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,3|C<4>}	115.7805	0.922	4	115.7805	0.851	4	116.1546	1.638	36	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Nb[6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|N<3>}	115.5345	1.636	2	116.1310	1.074	6	116.1546	1.638	36	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Nb[6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|N<2>}	116.4292	0.736	4	116.1310	1.074	6	116.1546	1.638	36	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Nb[6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	115.6275	0.960	2	115.6275	0.921	2	116.1546	1.638	36	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Nb[6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	116.6390	0.668	2	116.6390	0.446	2	116.1546	1.638	36	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Nb[6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	115.7875	1.489	6	115.7875	2.218	6	116.1546	1.638	36	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Nb[6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>}	116.1840	0.117	2	116.1840	0.014	2	116.1546	1.638	36	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Nb[6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<3>}	115.9855	3.280	2	115.9855	10.760	2	116.1546	1.638	36	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Si[3,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|O<2>,4|C<3>}	115.5280	0.000	1	115.5280	0.000	1	115.5280	0.000	1	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Si[5,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|N<3>}	117.2465	2.296	2	117.2465	5.272	2	117.2465	5.272	2	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	5:3:3:	3:3:3:	3:3:4:	Si[6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<2>,1|Li<5>,1|N<3>,1|N<4>,3|C<3>}	120.2690	0.000	1	120.2690	0.000	1	120.2690	0.000	1	116.3825	2.241	48	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	6:3:3:	3:3:3:	3:3:1:	Nb[6,6]-6:C[6]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]C[6a])(H)	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>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|N<4>,2|O<2>,4|C<3>}	118.3990	0.000	1	118.3990	0.000	1	118.3990	0.000	1	116.7870	5.197	2	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	6:3:3:	3:3:3:	3:3:1:	Nb[6]-6:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Nb[6])(H)	N[6](Nb[6]O[6]Cl2OO)(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Nb[6])(H){2|Cl<1>,1|H<1>,3|O<2>,4|C<3>}	115.1750	0.000	1	115.1750	0.000	1	115.1750	0.000	1	116.7870	5.197	2	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	6:3:3:	3:3:3:	3:3:4:	Nb[3,3,6]-6:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	118.4125	3.202	2	117.8801	8.145	10	117.0841	7.475	14	116.7418	4.403	31	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	6:3:3:	3:3:3:	3:3:4:	Nb[3,3,6]-6:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	116.7710	4.154	4	117.8801	8.145	10	117.0841	7.475	14	116.7418	4.403	31	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	6:3:3:	3:3:3:	3:3:4:	Nb[3,3,6]-6:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	118.7230	0.991	4	117.8801	8.145	10	117.0841	7.475	14	116.7418	4.403	31	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	6:3:3:	3:3:3:	3:3:4:	Nb[3,3,6]-6:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Nb<6>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|S<2>}	115.5025	1.009	2	115.5025	1.018	2	117.0841	7.475	14	116.7418	4.403	31	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	6:3:3:	3:3:3:	3:3:4:	Nb[3,3,6]-6:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Nb<6>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>}	114.6855	0.105	2	114.6855	0.011	2	117.0841	7.475	14	116.7418	4.403	31	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	6:3:3:	3:3:3:	3:3:4:	Nb[3,6]-6:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	114.5965	1.480	2	114.5965	2.190	2	115.3938	1.149	9	116.7418	4.403	31	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	6:3:3:	3:3:3:	3:3:4:	Nb[3,6]-6:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,1|N<3>,4|C<3>}	116.1855	0.325	2	116.0718	0.086	4	115.3938	1.149	9	116.7418	4.403	31	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	6:3:3:	3:3:3:	3:3:4:	Nb[3,6]-6:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,1|N<3>,4|C<3>}	115.9580	0.320	2	116.0718	0.086	4	115.3938	1.149	9	116.7418	4.403	31	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	6:3:3:	3:3:3:	3:3:4:	Nb[3,6]-6:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,2|N<3>,3|C<3>}	115.0213	1.269	3	115.0213	1.610	3	115.3938	1.149	9	116.7418	4.403	31	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	6:3:3:	3:3:3:	3:3:4:	Nb[6]-6:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<2>,2|C<3>,2|N<3>}	117.7920	0.314	2	117.7920	0.099	2	117.6398	0.178	6	116.7418	4.403	31	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	6:3:3:	3:3:3:	3:3:4:	Nb[6]-6:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|C<2>}	117.3540	0.130	2	117.3540	0.017	2	117.6398	0.178	6	116.7418	4.403	31	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	6:3:3:	3:3:3:	3:3:4:	Nb[6]-6:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|Li<5>,1|C<2>,2|C<3>,2|C<4>,2|N<3>}	117.7735	0.729	2	117.7735	0.531	2	117.6398	0.178	6	116.7418	4.403	31	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	6:3:3:	3:3:3:	3:3:4:	Si[6,6]-6:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>,2|O<2>}	117.7185	0.264	2	117.7185	0.070	2	117.7185	0.070	2	116.7418	4.403	31	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	7:3:3:	3:3:3:	3:3:4:	Nb[3,3,6,6]-7:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[3,3,6,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[3,3,6,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|O<2>}	117.1273	0.898	4	117.1273	0.807	4	117.1273	0.807	4	116.6951	4.149	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	7:3:3:	3:3:3:	3:3:4:	Nb[3,6]-7:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|C<3>,3|F<1>}	115.7588	3.004	4	115.7588	9.026	4	115.7588	9.026	4	116.6951	4.149	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	7:3:3:	3:3:3:	3:3:4:	Nb[3x3,5,6]-7:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[3x3,5,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[3x3,5,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,5|C<4>}	117.7035	1.248	2	117.7035	1.558	2	117.7035	1.558	2	116.6951	4.149	10	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	8:3:3:	3:3:3:	3:3:4:	Nb[5x3,6]-8:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,6|C<4>}	116.4147	0.482	4	116.4147	0.232	4	116.4147	0.232	4	116.4147	0.232	4	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP2_SP2_SP2	N[6]	C[6a]	C[6]	9:3:3:	3:3:3:	3:3:4:	Nb[5x3,6]-9:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3)	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>}	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[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>,6|C<4>}	115.4050	0.474	4	115.4050	0.225	4	115.4050	0.225	4	115.4050	0.225	4	119.0142	5.140	1715	119.1697	5.487	1850
856	643	762	0:SP3_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	4:3:3:	3:3:3:	3:3:4:	C[3x6]-4:C[6,6a]-3:C[6,6]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6,6]-3:C[6]-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])	C[6,6a](N[6,6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](N[6,6]C[6,6a]C[3x6])(C[6,6]C[6]2)(C[6]C[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]){2|C<3>,6|C<4>,6|H<1>}	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[6,6](N[6,6]C[6,6a]C[3x6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	118.8940	0.895	2	118.8940	0.801	2	118.8940	0.801	2	118.8940	0.801	2	118.8940	0.801	2	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[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){1|N<3>,3|H<1>,6|C<3>}	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](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,3|H<1>,6|C<3>}	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	120.3350	0.000	1	119.2857	10.535	7	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:2:4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:N[6]-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]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)	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(CH3)	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>}	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](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(CH3){1|H<1>,1|N<3>,4|C<3>}	121.4510	0.000	1	121.4510	0.000	1	121.4510	0.000	1	121.4510	0.000	1	119.2857	10.535	7	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(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){2|C<4>,6|C<3>}	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](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	118.6830	0.000	1	118.6830	0.000	1	118.6830	0.000	1	115.7355	17.376	2	119.2857	10.535	7	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6,6]-3:O-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)	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](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]2)(O)	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>}	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](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	112.7880	0.000	1	112.7880	0.000	1	112.7880	0.000	1	115.7355	17.376	2	119.2857	10.535	7	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6a]-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])	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](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]I)(C[6a]C[6a]2)	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>}	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](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]I)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	121.2050	0.000	1	121.2050	0.000	1	121.2050	0.000	1	121.8105	0.733	2	119.2857	10.535	7	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6,6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6]-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])	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](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(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]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	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](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	122.4160	0.000	1	122.4160	0.000	1	122.4160	0.000	1	121.8105	0.733	2	119.2857	10.535	7	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6,6]	C[6,6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6a]-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])	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](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	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>}	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](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	118.1220	0.000	1	118.1220	0.000	1	118.1220	0.000	1	118.1220	0.000	1	119.2857	10.535	7	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-2:C-3:	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	C[6](N[6]C[6a]N[6])(N[6]N[6])(CCO)	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>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]N[6])(N[6]N[6])(CCO){4|C<3>}	123.7135	2.152	2	123.7135	4.630	2	123.7135	4.630	2	123.7135	4.630	2	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:C[6a]-3:N[6]-2:	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])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6])	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>}	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[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	124.4090	0.000	1	124.4090	0.000	1	124.4090	0.000	1	124.4090	0.000	1	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6]-3:	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	C[6](N[6]C[6,6a]C[6a])2(C[6]N[6]2)	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>}	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[6](N[6]C[6,6a]C[6a])2(C[6]N[6]2){11|C<3>}	117.1370	0.000	1	117.1370	0.000	1	117.1370	0.000	1	117.8007	0.482	3	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	118.1325	0.551	2	118.1325	0.303	2	118.1325	0.303	2	117.8007	0.482	3	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O)	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>}	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[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O){4|C<3>}	117.8580	0.000	1	117.8580	0.000	1	117.8580	0.000	1	120.0495	9.605	2	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O)	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>}	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[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O){2|C<4>,4|C<3>}	122.2410	0.000	1	122.2410	0.000	1	122.2410	0.000	1	120.0495	9.605	2	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5]-3:N[6]-3:	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)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5,6]N[5])(N[6]C[6a]C[6])	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5,6]N[5])(N[6]C[6a]C[6]){1|N<2>,2|C<4>,3|H<1>,6|C<3>}	117.3360	0.000	1	117.3360	0.000	1	117.3360	0.000	1	117.8070	0.444	2	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	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>}	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[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	118.2780	0.000	1	118.2780	0.000	1	118.2780	0.000	1	117.8070	0.444	2	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:2:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-2:N-3:	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	C[6](N[6]C[6a]Si[6])(N[6]C[6])(NCC)	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]N[6]N){2|C<4>,3|C<3>}	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[6](N[6]C[6a]Si[6])(N[6]C[6])(NCC){2|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	120.6540	0.000	1	120.6540	0.000	1	120.6540	0.000	1	120.6540	0.000	1	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]H)(H)	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>}	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[6](N[6]C[6,6]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.2450	0.000	1	120.2450	0.000	1	120.2450	0.000	1	120.2450	0.000	1	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:2:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	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>}	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[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|C<4>,3|H<1>,6|C<3>}	118.9380	0.000	1	118.9380	0.000	1	120.4475	4.557	2	120.4475	4.557	2	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:2:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	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)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	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>}	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[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|P<4>,3|H<1>,6|C<3>}	121.9570	0.000	1	121.9570	0.000	1	120.4475	4.557	2	120.4475	4.557	2	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	C[6,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:	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	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2)	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>}	C[6a](N[6]C[6,6]C[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	114.8650	0.000	1	114.8650	0.000	1	114.8650	0.000	1	116.7237	6.658	4	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:C[6a]-3:	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)	C[6](C[6]C[5a,6]Cl)(N[6]C[6a]C[6])(C[6a]C[6a]2)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]Cl)(N[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	114.2580	0.000	1	114.2580	0.000	1	114.2580	0.000	1	116.7237	6.658	4	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C[6a]-3:	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)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	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>}	C[6a](C[6a]C[6a]H)2(N[6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	119.6240	0.000	1	119.6240	0.000	1	119.6240	0.000	1	116.7237	6.658	4	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	S[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:	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	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	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>}	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2{2|H<1>,2|O<1>,4|C<3>}	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,2|O<1>,6|C<3>}	118.1480	0.000	1	118.1480	0.000	1	118.1480	0.000	1	116.7237	6.658	4	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	S[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C[3]-4:	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	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[3]C[3]2H)	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>}	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[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[3]C[3]2H){2|O<1>,4|C<3>,4|H<1>}	118.9550	0.000	1	118.9550	0.000	1	118.9550	0.000	1	118.6425	0.195	2	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	S[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C-4:	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	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CCHH)	N[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,4|C<3>}	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[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CCHH){2|O<1>,4|C<3>}	118.3300	0.000	1	118.3300	0.000	1	118.3300	0.000	1	118.6425	0.195	2	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:O-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)	C[6a](N[6]C[5,6,6]C[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](N[6]C[5,6,6]C[6a])(C[6]C[6]HH)(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){3|H<1>,4|C<3>,5|C<4>}	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[6](N[6]C[5,6,6]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	115.5730	0.000	1	115.5730	0.000	1	115.5730	0.000	1	115.5730	0.000	1	118.9103	8.180	23	118.9914	7.895	32
856	643	762	0:SP3_SP2_SP2	N[6]	C[6a]	C[6]	4:3:3:	3:3:3:	4:3:1:	C[5,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	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>}	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[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	116.2190	0.209	2	116.2190	0.044	2	116.2190	0.044	2	116.2190	0.044	2	118.9103	8.180	23	118.9914	7.895	32
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6]-3:C[6]-3:H-1:	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])	C[6](N[6,6]C[6,6,6a]O[6])(C[6]C[6]H)(H)	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>}	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](N[6,6]C[6,6,6a]O[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	122.0190	0.000	1	122.0190	0.000	1	122.0190	0.000	1	122.0190	0.000	1	120.9594	2.007	19	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6]-3:C[6]-3:H-1:	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)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H)	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>}	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](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.2870	0.000	1	121.2870	0.000	1	121.2870	0.000	1	121.2870	0.000	1	120.9594	2.007	19	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6,6a]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6]-3:C[6]-4:C-3:	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)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]O[6]HH)(CHI)	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>}	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](N[6,6]C[6,6,6a]C[6])(C[6]O[6]HH)(CHI){1|H<1>,3|C<3>}	116.6740	0.000	1	116.6740	0.000	1	116.6740	0.000	1	116.6740	0.000	1	120.9594	2.007	19	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:B[6]-4:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6]-3:C[6]-3:H-1:	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])	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(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){1|H<1>,8|C<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]){1|O<2>,3|H<1>,6|C<3>}	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.1610	0.000	1	120.1610	0.000	1	120.1695	0.000	2	121.1707	1.077	12	120.9594	2.007	19	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:B[6]-4:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6]-3:C[6]-3:H-1:	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])	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(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){1|H<1>,4|C<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]){1|F<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	120.1780	0.000	1	120.1780	0.000	1	120.1695	0.000	2	121.1707	1.077	12	120.9594	2.007	19	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6,6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6]-3:C[6]-3: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)	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](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(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){1|N<3>,3|C<3>,3|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>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3635	0.071	2	121.3635	0.005	2	121.3635	0.005	2	121.1707	1.077	12	120.9594	2.007	19	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6]-3:C[6]-3: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)	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](N[6,6]C[6,6,6a]C[6])(C[6]C[6]C)(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){1|C<4>,1|N<3>,2|H<1>,3|C<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){2|C<4>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	121.3260	0.000	1	121.3260	0.000	1	121.3329	1.558	7	121.1707	1.077	12	120.9594	2.007	19	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6]-3:C[6]-3: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)	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](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(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){1|N<3>,3|C<3>,3|H<1>}	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](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3340	1.367	6	121.3340	1.870	6	121.3329	1.558	7	121.1707	1.077	12	120.9594	2.007	19	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6a]-3:N[6,6]-3:	N[6,6]-3:N[6]-3:O-1:	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)	C[6](N[6,6]C[6,6,6a]C[6])(N[6]C[6]C)(O)	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>}	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](N[6,6]C[6,6,6a]C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	121.6520	0.000	1	121.6520	0.000	1	121.6520	0.000	1	121.1707	1.077	12	120.9594	2.007	19	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6]-3:C[6]-3: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]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)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(CH3)	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>}	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](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	122.5320	0.000	1	122.5320	0.000	1	122.5320	0.000	1	122.5320	0.000	1	120.9594	2.007	19	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6,6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6,6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6]-3:C[6]-3: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)	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](N[6,6]C[6,6,6a]C[5,6])(C[6]C[6]H)(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){1|Se<2>,1|C<4>,2|H<1>,5|C<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]){1|C<4>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6,6a]C[5,6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3840	0.000	1	121.3840	0.000	1	121.3840	0.000	1	120.5563	0.589	3	120.9594	2.007	19	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6,6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	Ga[6,6]-4:C[6,6,6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6,6a]-3:	N[6,6]-3:C[6]-3: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)	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](N[6,6]C[6,6,6a]Ga[6,6])(C[6]C[6]H)(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){1|Ga<4>,1|H<1>,5|C<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]){1|Cl<2>,2|Cl<1>,1|N<3>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6,6a]Ga[6,6])(C[6]C[6]H)(H){1|Cl<1>,1|Cl<2>,1|H<1>,3|C<3>}	120.1425	0.387	2	120.1425	0.150	2	120.1425	0.150	2	120.5563	0.589	3	120.9594	2.007	19	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a,6a]-3:N[6,6]-3:O[6a]-2:	C[6,6a]-3:N[6,6]-3:C[6]-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])	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[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6,6a]C[6a])	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>}	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[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	119.0400	0.000	1	119.0400	0.000	1	119.0400	0.000	1	119.0400	0.000	1	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:N[6]-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])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]2)(C[6a]C[6a]H)	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]C)(N[6]C[6]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]){1|C<2>,2|C<4>,4|C<3>,4|H<1>}	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[6,6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	119.9960	0.000	2	119.9960	0.000	2	119.9960	0.000	2	120.0092	0.014	4	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-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)	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[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]H)	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>}	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[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	120.1680	0.000	1	120.1680	0.000	1	120.1680	0.000	1	120.0092	0.014	4	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	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)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]H)	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>}	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[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]H){2|H<1>,3|C<3>}	119.8770	0.000	1	119.8770	0.000	1	119.8770	0.000	1	120.0092	0.014	4	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6,6]-3:C[6]-3:N[6]-2:	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])	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	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>}	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[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	120.5977	0.256	3	120.2843	0.136	7	120.2843	0.136	7	120.8841	1.668	9	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6,6]-3:C[6]-3:N[6]-2:	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])	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	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>}	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[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|F<1>}	119.9767	0.232	3	120.2843	0.136	7	120.2843	0.136	7	120.8841	1.668	9	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6,6]-3:C[6]-3:N[6]-2:	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])	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	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>}	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[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|F<1>}	120.2670	0.000	1	120.2843	0.136	7	120.2843	0.136	7	120.8841	1.668	9	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6,6]-3:C[6]-3:N[6]-2:	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])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]C)(N[6]C[6])	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>}	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[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]C)(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	123.7570	0.000	1	123.7570	0.000	1	122.9835	1.197	2	120.8841	1.668	9	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6,6]-3:C[6]-3:N[6]-2:	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])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(N[6]C[6])	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>}	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[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	122.2100	0.000	1	122.2100	0.000	1	122.9835	1.197	2	120.8841	1.668	9	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6,6]-3:C[6]-3:C[6]-3:	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])	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2	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>}	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[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|F<1>}	119.2779	0.438	14	119.2779	0.192	14	119.2779	0.192	14	119.2779	0.192	14	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:2:3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:N[6]-2:C[6]-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)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[5,6])(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){2|H<1>,5|C<3>}	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[6,6](N[6,6]C[6,6a]B[6])(N[6]C[5,6])(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	119.2447	0.331	3	119.2447	0.110	3	119.7338	0.516	5	119.7338	0.516	5	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:2:3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:N[6]-2:C[6]-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)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[6,6])(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){2|H<1>,5|C<3>}	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[6,6](N[6,6]C[6,6a]B[6])(N[6]C[6,6])(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	120.4675	0.224	2	120.4675	0.050	2	119.7338	0.516	5	119.7338	0.516	5	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:N[6]-2:	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)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	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>}	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[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	120.5130	0.000	1	120.5130	0.000	1	120.3025	0.089	2	119.8222	0.337	4	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:N[6]-2:	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)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	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>}	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[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	120.0920	0.000	1	120.0920	0.000	1	120.3025	0.089	2	119.8222	0.337	4	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:N[6a]-3:	N[6,6]-3:C[6]-3:N[6]-2:	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)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	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>}	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[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|F<1>}	119.3420	0.000	2	119.3420	0.000	2	119.3420	0.000	2	119.8222	0.337	4	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-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)	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[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6,6]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){2|H<1>,6|C<3>}	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[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6,6]H){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	121.1370	0.000	1	121.1370	0.000	1	121.0242	0.161	5	120.2371	0.476	20	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-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)	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[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(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){2|H<1>,5|C<3>}	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[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	121.1663	0.374	3	121.1663	0.140	3	121.0242	0.161	5	120.2371	0.476	20	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-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)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(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){2|H<1>,5|C<3>}	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[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	120.4850	0.000	1	120.4850	0.000	1	121.0242	0.161	5	120.2371	0.476	20	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6,6]-3:C[6]-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)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6,6]C[6,6]C[6])(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){2|H<1>,5|C<3>}	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[6,6](N[6,6]C[6,6a]B[6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|F<1>,4|C<3>}	120.7415	0.380	2	120.7415	0.144	2	120.7415	0.144	2	120.2371	0.476	20	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	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)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C)	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>}	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[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	119.7230	0.000	1	119.7230	0.000	1	119.8568	0.231	13	120.2371	0.476	20	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	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)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2	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>}	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[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2{1|H<1>,1|O<2>,2|F<1>,3|C<3>}	120.2708	0.097	6	120.2708	0.009	6	119.8568	0.231	13	120.2371	0.476	20	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	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)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C)	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>}	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[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C){1|O<2>,2|F<1>,3|C<3>}	119.7745	0.199	2	119.7745	0.039	2	119.8568	0.231	13	120.2371	0.476	20	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	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)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]H)	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>}	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[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]H){1|O<2>,2|F<1>,3|C<3>}	118.9975	0.050	2	118.9975	0.003	2	119.8568	0.231	13	120.2371	0.476	20	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	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)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6a]N[6])(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){1|N<2>,2|H<1>,4|C<3>}	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[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6a]N[6])(C[6]C[6]H){1|O<2>,2|F<1>,5|C<3>}	119.6230	0.206	2	119.6230	0.043	2	119.8568	0.231	13	120.2371	0.476	20	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:4:3:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-4:N[6]-3:	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)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]H)	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>}	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[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	120.4920	0.000	1	120.4920	0.000	1	120.4920	0.000	1	120.4920	0.000	1	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[3x6]-4:C[6,6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-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])	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[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[3x6])(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]){1|N<3>,4|C<3>,5|C<4>,5|H<1>}	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[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[3x6])(C[6]C[6]H){2|H<1>,3|C<4>,4|C<3>}	118.3010	0.000	1	118.3010	0.000	1	118.3010	0.000	1	119.7073	0.961	4	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[6]-4:C[6,6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	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)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[5,6]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){3|H<1>,5|C<3>}	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[6,6](N[6,6]C[6,6a]B[6])(C[6]C[5,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	119.7700	0.000	1	119.7700	0.000	1	120.1760	0.124	3	119.7073	0.961	4	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[6,6]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:B[6]-4:C[6,6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	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)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6,6]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){3|H<1>,5|C<3>}	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[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	120.3790	0.006	2	120.3790	0.000	2	120.1760	0.124	3	119.7073	0.961	4	119.9830	0.792	62	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6]-3:N[6]-3:C[6,6]-3:	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])	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)(C[6,6]C[6]2)	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>}	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[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)(C[6,6]C[6]2){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	120.5750	0.025	3	120.5750	0.001	3	120.5750	0.001	3	120.7888	0.183	4	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:2:	3:3:3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:C[6,6]-3:C[6]-3:	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])	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C)	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>}	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[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	121.4300	0.000	1	121.4300	0.000	1	121.4300	0.000	1	120.7888	0.183	4	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:O[6]-2:	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)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(O[6]B[6])	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>}	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[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	123.0920	0.000	1	123.0920	0.000	1	123.0920	0.000	1	123.0920	0.000	1	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6,6]-3:C[5a,6]-3:N[6]-3:	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)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)	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>}	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[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H){1|B<4>,1|H<1>,6|C<3>}	123.8800	0.000	1	123.8800	0.000	1	123.8800	0.000	1	124.3238	3.848	12	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[3x6]-3:N[6]-3:C[6]-3:	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)	C[6,6](C[3x6]C[5,6,6]C[6,6])(N[6]C[6,6a]H)(C[6]N[6]O)	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>}	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[6,6](C[3x6]C[5,6,6]C[6,6])(N[6]C[6,6a]H)(C[6]N[6]O){7|C<3>}	119.6810	0.000	1	119.6810	0.000	1	119.6810	0.000	1	124.3238	3.848	12	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	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)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H)	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>}	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[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|Ru<6>,3|C<3>,3|H<1>}	123.6027	0.530	3	123.6027	0.280	3	123.7005	0.225	4	124.3238	3.848	12	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	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)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H)	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>}	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[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	123.9940	0.000	1	123.9940	0.000	1	123.7005	0.225	4	124.3238	3.848	12	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	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)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]Br)	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>}	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[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]Br){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	125.7870	0.000	1	125.7870	0.000	1	125.9537	0.227	3	124.3238	3.848	12	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	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)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	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>}	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[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|F<1>,2|H<1>,4|C<3>}	126.4910	0.000	1	126.0370	0.412	2	125.9537	0.227	3	124.3238	3.848	12	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	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)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	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>}	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[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,5|C<3>}	125.5830	0.000	1	126.0370	0.412	2	125.9537	0.227	3	124.3238	3.848	12	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-3:	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)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]H)	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>}	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[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	127.4380	0.000	1	127.4380	0.000	1	127.4380	0.000	1	124.3238	3.848	12	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6,6]-3:C[6]-3:	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)	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]C)	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>}	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[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	124.1115	0.373	2	124.1115	0.139	2	124.1115	0.139	2	124.3238	3.848	12	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	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)	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a]H)(C[6]C[6]HH)	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>}	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[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	126.2920	0.000	1	126.2920	0.000	1	126.2920	0.000	1	122.2623	1.755	14	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	121.5060	0.024	2	121.2975	0.100	4	121.7953	0.432	9	122.2623	1.755	14	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	121.3390	0.000	1	121.2975	0.100	4	121.7953	0.432	9	122.2623	1.755	14	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	120.8390	0.000	1	121.2975	0.100	4	121.7953	0.432	9	122.2623	1.755	14	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	121.8270	0.000	1	121.8270	0.000	1	121.7953	0.432	9	122.2623	1.755	14	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	122.0227	0.433	3	122.0227	0.187	3	121.7953	0.432	9	122.2623	1.755	14	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	123.0730	0.000	1	123.0730	0.000	1	121.7953	0.432	9	122.2623	1.755	14	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6,6]-3:C[6]-4:	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)	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	122.8215	0.073	2	122.8215	0.005	2	122.8215	0.005	2	122.2623	1.755	14	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	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)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	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>}	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[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	121.7895	0.284	2	121.7895	0.080	2	121.7895	0.080	2	122.2623	1.755	14	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	3:4:3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6,6]-4:N[6]-3:	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)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)	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>}	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[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]S[6]H)(N[6]C[6,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	126.9290	0.000	1	126.9290	0.000	1	126.9290	0.000	1	126.9290	0.000	1	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:C[6]-3:	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)	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	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>}	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[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|C<4>,5|C<3>}	128.9370	0.584	2	128.9370	0.341	2	128.6258	1.675	4	127.6060	3.503	6	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:C[6]-3:	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)	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	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>}	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[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|N<3>,5|C<3>}	126.8490	0.000	1	126.8490	0.000	1	128.6258	1.675	4	127.6060	3.503	6	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:C[6]-3:	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)	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	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>}	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[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|C<4>,1|H<1>,4|C<3>}	129.7800	0.000	1	129.7800	0.000	1	128.6258	1.675	4	127.6060	3.503	6	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	P[6]-4:C[6,6]-3:N[6]-3:	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)	C[6,6](P[6]C[6,6a]C[6a]2)(C[6,6]N[6]P[6])(N[6]C[6,6a]H)	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>}	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[6,6](P[6]C[6,6a]C[6a]2)(C[6,6]N[6]P[6])(N[6]C[6,6a]H){10|C<3>,1|H<1>}	125.5665	0.112	2	125.5665	0.013	2	125.5665	0.013	2	127.6060	3.503	6	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:N[6]-3:N[6,6]-3:	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)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]C)(N[6,6]C[6]2)	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>}	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[6,6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]C)(N[6,6]C[6]2){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	121.4837	0.383	3	121.4837	0.147	3	121.4837	0.147	3	121.3135	0.214	4	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	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)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(C[6]C[6]H)	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>}	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[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(C[6]C[6]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	120.8030	0.000	1	120.8030	0.000	1	120.8030	0.000	1	121.3135	0.214	4	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:4:	3:3:3:	4:3:2:	C[6,6a]-3:C[6,6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:N[6]-2:	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)	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]C)(N[6]C[6,6a])	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>}	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[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]C)(N[6]C[6,6a]){2|H<1>,4|C<3>}	122.3560	0.000	1	122.3560	0.000	1	122.3560	0.000	1	122.3560	0.000	1	123.4879	6.580	43	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:2:3:	3:2:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:N[6]-2:H-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H)(H){3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]H){1|N<3>,2|H<1>,3|N<2>}	C[6](N[6]C[6,6a]H)(N[6]C[6,6a])(H){1|C<3>,2|N<2>}	119.0440	0.000	1	119.0440	0.000	1	119.0440	0.000	1	119.0440	0.000	1	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:2:3:	3:2:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:S[6]-2:N-2:	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)	C[6](N[6]C[6,6a]H)(S[6]C[6])(NC)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]S[6]N)(H){3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(S[6]C[6])(NC){1|N<2>,2|C<3>}	127.7670	0.000	1	127.7670	0.000	1	127.7670	0.000	1	127.7670	0.000	1	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:N[6]-2:N-3:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHH)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N)(H){1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|N<2>,3|N<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	120.0686	0.319	8	120.0686	0.102	8	120.0686	0.102	8	120.0686	0.102	8	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	122.8998	0.416	9	122.8998	0.173	9	122.8998	0.173	9	123.0309	0.223	11	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)	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>}	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](N[6]C[6,6a]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|S<1>}	123.6270	0.000	1	123.6270	0.000	1	123.6270	0.000	1	123.0309	0.223	11	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(S)	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>}	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](N[6]C[6,6a]H)(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|S<1>}	123.6150	0.000	1	123.6150	0.000	1	123.6150	0.000	1	123.0309	0.223	11	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[5a]-3:N[6]-3:C[6]-3:	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)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]C[6]H)	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>}	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](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	123.9090	0.000	1	123.9090	0.000	1	123.9090	0.000	1	124.4003	0.998	3	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|C<3>,1|H<1>,1|N<2>}	125.5500	0.000	1	125.5500	0.000	1	124.6460	1.634	2	124.4003	0.998	3	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]2)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]2){1|C<3>,1|H<1>,1|N<2>}	123.7420	0.000	1	123.7420	0.000	1	124.6460	1.634	2	124.4003	0.998	3	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	123.3780	0.000	1	123.0093	0.198	3	123.0093	0.198	3	123.4973	1.084	4	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	122.5150	0.000	1	123.0093	0.198	3	123.0093	0.198	3	123.4973	1.084	4	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	123.1350	0.000	1	123.0093	0.198	3	123.0093	0.198	3	123.4973	1.084	4	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	N[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]C)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	N[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.9610	0.000	1	124.9610	0.000	1	124.9610	0.000	1	123.4973	1.084	4	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:H-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(N[6]C[6])(H){1|N<3>,2|C<3>}	119.7909	0.650	9	119.8365	0.350	11	121.0333	3.111	17	122.0397	5.231	25	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:H-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(N[6]C[6])(H){1|N<2>,2|C<3>}	119.9760	0.000	1	119.8365	0.350	11	121.0333	3.111	17	122.0397	5.231	25	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:H-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(N[6]C[6])(H){1|N<2>,2|C<3>}	120.1070	0.000	1	119.8365	0.350	11	121.0333	3.111	17	122.0397	5.231	25	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:H-1:	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)	C[6](N[6]C[6,6a]H)(N[6]S[6])(H)	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>}	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](N[6]C[6,6a]H)(N[6]S[6])(H){2|C<3>,2|O<1>}	123.2275	0.574	6	123.2275	0.329	6	121.0333	3.111	17	122.0397	5.231	25	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:O-1:	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)	C[6](N[6]C[6,6a]H)(O[6]C[4,6])(O)	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>}	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](N[6]C[6,6a]H)(O[6]C[4,6])(O){2|C<3>,2|C<4>}	124.3690	0.000	1	124.3690	0.000	1	123.6669	1.215	7	122.0397	5.231	25	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:O-1:	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)	C[6](N[6]C[6,6a]H)(O[6]C[6,6])(O)	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>}	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](N[6]C[6,6a]H)(O[6]C[6,6])(O){2|C<3>,2|C<4>}	122.6850	0.017	2	122.6850	0.000	2	123.6669	1.215	7	122.0397	5.231	25	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:O-1:	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)	C[6](N[6]C[6,6a]H)(O[6]C[6])(O)	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>}	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](N[6]C[6,6a]H)(O[6]C[6])(O){1|C<2>,1|C<4>,2|C<3>}	124.4440	0.511	2	123.9822	1.490	4	123.6669	1.215	7	122.0397	5.231	25	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:O-1:	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)	C[6](N[6]C[6,6a]H)(O[6]C[6])(O)	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>}	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](N[6]C[6,6a]H)(O[6]C[6])(O){2|C<3>,2|C<4>}	124.8160	0.000	1	123.9822	1.490	4	123.6669	1.215	7	122.0397	5.231	25	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:O-1:	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)	C[6](N[6]C[6,6a]H)(O[6]C[6])(O)	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>}	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](N[6]C[6,6a]H)(O[6]C[6])(O){1|C<4>,3|C<3>}	122.2250	0.000	1	123.9822	1.490	4	123.6669	1.215	7	122.0397	5.231	25	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:S[6]-2:S-1:	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)	C[6](N[6]C[6,6a]H)(S[6]C[6])(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]S)(H){1|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(S[6]C[6])(S){1|S<1>,2|C<3>}	127.7590	0.000	1	127.7590	0.000	1	127.7590	0.000	1	122.0397	5.231	25	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:N-2:	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)	C[6](N[6]C[6,6a]H)(N[6]S[6])(NC)	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>}	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](N[6]C[6,6a]H)(N[6]S[6])(NC){2|C<3>,2|O<1>}	124.5213	0.486	3	124.5213	0.236	3	124.5213	0.236	3	123.8480	0.666	6	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:O-2:	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)	C[6](N[6]C[6,6a]H)(N[6]S[6])(OC)	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>}	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](N[6]C[6,6a]H)(N[6]S[6])(OC){2|C<3>,2|O<1>}	123.1920	0.369	2	123.1920	0.136	2	123.1920	0.136	2	123.8480	0.666	6	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:S-2:	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)	C[6](N[6]C[6,6a]H)(N[6]S[6])(SC)	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>}	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](N[6]C[6,6a]H)(N[6]S[6])(SC){2|C<3>,2|O<1>}	123.1400	0.000	1	123.1400	0.000	1	123.1400	0.000	1	123.8480	0.666	6	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:N-3:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(N[6]C[6])(NHN){1|N<3>,2|C<3>}	119.7710	0.000	1	119.7710	0.000	1	122.0005	9.941	2	122.7153	6.504	3	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:N-3:	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)	C[6](N[6]C[6,6a]H)(N[6]S[6])(NCH)	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>}	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](N[6]C[6,6a]H)(N[6]S[6])(NCH){2|C<3>,2|O<1>}	124.2300	0.000	1	124.2300	0.000	1	122.0005	9.941	2	122.7153	6.504	3	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:N-3:	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)	C[6](N[6]C[6,6a]H)(O[6]B[6])(NC[6a]H)	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>}	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](N[6]C[6,6a]H)(O[6]B[6])(NC[6a]H){2|C<3>,2|F<1>}	124.1450	0.000	1	124.1450	0.000	1	124.1450	0.000	1	122.7153	6.504	3	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:C-4:	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)	C[6](N[6]C[6,6a]H)(N[6]S[6])(CHHS)	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>}	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](N[6]C[6,6a]H)(N[6]S[6])(CHHS){2|C<3>,2|O<1>}	123.5335	1.998	2	123.5335	3.990	2	123.5335	3.990	2	123.5335	3.990	2	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.3580	0.000	1	122.3580	0.000	1	122.3580	0.000	1	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	125.7750	0.000	1	125.7750	0.000	1	125.7750	0.000	1	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.1667	0.513	6	123.1667	0.263	6	123.1667	0.263	6	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:N[6]-3:O-1:	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)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(O)	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>}	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](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(O){1|H<1>,4|C<3>}	123.7905	0.433	2	123.7905	0.188	2	123.7905	0.188	2	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	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](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	122.7380	0.177	4	122.7380	0.031	4	122.6008	0.118	5	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H)	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>}	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](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	122.0520	0.000	1	122.0520	0.000	1	122.6008	0.118	5	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a]H)(O)	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>}	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](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a]H)(O){1|H<1>,4|C<3>}	123.2410	0.000	1	123.2410	0.000	1	123.2410	0.000	1	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5,6]-3:N[6]-3:O-1:	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)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]H)(O)	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>}	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](N[5,6]C[5,6]C[5])(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	125.2920	0.000	1	125.2920	0.000	1	123.9505	3.599	2	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5,6]-3:N[6]-3:O-1:	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)	C[6](N[5,6]C[5,6]S[5])(N[6]C[6,6a]H)(O)	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>}	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](N[5,6]C[5,6]S[5])(N[6]C[6,6a]H)(O){1|H<1>,2|O<1>,4|C<3>}	122.6090	0.000	1	122.6090	0.000	1	123.9505	3.599	2	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5a,6]-3:N[6]-3:O-1:	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)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H){1|H<1>,4|C<3>}	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](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(O){1|N<2>,4|C<3>}	126.3100	0.000	1	126.3100	0.000	1	126.3100	0.000	1	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6a]-3:N[6]-3:H-1:	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)	C[6](N[6,6a]C[6a,6a]B[6,6a])(N[6]C[6,6a]H)(H)	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>}	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](N[6,6a]C[6a,6a]B[6,6a])(N[6]C[6,6a]H)(H){2|O<2>,4|C<3>}	123.2620	0.000	1	123.2620	0.000	1	123.2620	0.000	1	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6a]-3:N[6]-3:O-1:	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)	C[6](N[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(H){1|H<1>,4|C<3>}	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](N[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]H)(O){1|N<2>,4|C<3>}	124.0325	2.681	2	124.0325	7.186	2	124.0325	7.186	2	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.2660	0.000	1	123.2660	0.000	1	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.3603	1.447	3	121.7735	2.079	4	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.0130	0.000	1	121.7735	2.079	4	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	124.0755	0.412	2	124.0755	0.170	2	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	121.2852	0.328	4	122.3145	1.327	8	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.3438	0.405	4	122.3145	1.327	8	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	124.1420	0.000	1	124.1420	0.000	1	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	122.5836	1.129	12	122.5011	1.017	77	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<2>,2|C<3>}	120.8525	0.200	2	122.5011	1.017	77	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	121.1209	0.344	7	122.5011	1.017	77	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.1273	0.252	4	122.5011	1.017	77	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	121.2575	0.380	2	122.5011	1.017	77	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	122.2775	1.095	2	122.5011	1.017	77	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.0225	0.687	32	122.5011	1.017	77	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	122.2330	0.926	16	122.5011	1.017	77	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]S)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]S)(H){1|S<2>,2|C<3>}	123.2245	0.745	2	123.2245	0.554	2	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.0865	0.071	2	123.0865	0.005	2	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.6740	0.000	1	123.1895	0.233	10	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.2036	0.464	8	123.1895	0.233	10	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.5920	0.000	1	123.1895	0.233	10	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.9570	0.000	1	122.9570	0.000	1	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	117.7895	0.095	2	117.7895	0.009	2	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.0217	0.492	3	122.4897	0.794	52	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.0333	0.471	3	122.4897	0.794	52	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.7430	0.000	1	122.4897	0.794	52	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.8000	0.000	1	122.4897	0.794	52	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.2620	0.000	1	122.4897	0.794	52	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.0935	0.223	2	122.4897	0.794	52	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.3559	0.953	40	122.4897	0.794	52	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.0740	0.000	1	122.4897	0.794	52	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(H)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]C)(H){2|C<3>}	121.3120	0.000	1	121.3120	0.000	1	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]H)(H){2|C<3>}	120.6270	0.000	1	120.6270	0.000	1	122.4891	1.244	164	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]C)(O){1|Li<5>,2|C<3>}	124.0535	0.088	2	124.2433	0.112	3	124.2433	0.112	3	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	124.6230	0.000	1	124.2433	0.112	3	124.2433	0.112	3	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:S-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,4|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]C)(S){1|H<1>,2|C<3>}	125.4200	0.000	1	125.4200	0.000	1	124.9292	0.080	12	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:S-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(S){1|H<1>,2|C<3>}	125.0054	0.188	7	124.9373	0.054	9	124.9292	0.080	12	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:S-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(S){3|C<3>}	124.6990	0.274	2	124.9373	0.054	9	124.9292	0.080	12	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:S-1:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(S)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]N)(S){2|C<3>}	124.6470	0.225	2	124.6470	0.051	2	124.9292	0.080	12	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(H)	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>}	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](N[6]C[6,6a]H)(N[6]C[6]2)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	116.4450	0.000	1	116.4450	0.000	1	120.1574	4.497	5	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	120.6720	0.000	1	121.0010	0.337	3	120.1574	4.497	5	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(N[6]C[6]H)(H){2|C<3>,2|H<1>}	120.6600	0.000	1	121.0010	0.337	3	120.1574	4.497	5	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(N[6]C[6]H)(H){1|O<1>,2|C<3>}	121.6710	0.000	1	121.0010	0.337	3	120.1574	4.497	5	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6]Ni)(H)	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>}	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](N[6]C[6,6a]H)(N[6]C[6]Ni)(H){1|O<1>,2|C<3>}	121.3390	0.000	1	121.3390	0.000	1	120.1574	4.497	5	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)	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>}	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](N[6]C[6,6a]H)(N[6]C[6]C)(O){2|C<3>,2|H<1>}	126.4390	0.000	1	125.4755	1.857	2	124.2850	0.767	13	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)	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>}	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](N[6]C[6,6a]H)(N[6]C[6]C)(O){1|H<1>,3|C<3>}	124.5120	0.000	1	125.4755	1.857	2	124.2850	0.767	13	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)	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>}	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](N[6]C[6,6a]H)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	123.0880	0.000	1	123.0880	0.000	1	124.2850	0.767	13	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6]S)(O)	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>}	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](N[6]C[6,6a]H)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	124.8870	0.000	1	124.8870	0.000	1	124.2850	0.767	13	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	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>}	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](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	124.1265	0.914	2	124.0866	0.296	9	124.2850	0.767	13	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	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>}	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](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){2|H<1>,4|C<3>}	124.4590	0.485	2	124.0866	0.296	9	124.2850	0.767	13	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	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>}	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](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){1|O<2>,5|C<3>}	123.8850	0.272	2	124.0866	0.296	9	124.2850	0.767	13	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,4|C<3>}	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](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){5|C<3>}	123.9460	0.633	3	124.0866	0.296	9	124.2850	0.767	13	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]B[6])(N[6]C[6,6a]H)(S)	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>}	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](N[6]C[6a]B[6])(N[6]C[6,6a]H)(S){1|O<2>,4|C<3>}	127.0845	0.095	2	127.0845	0.009	2	124.7471	1.822	15	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(S)	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>}	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](N[6]C[6,6a]H)(N[6]C[6]C)(S){1|O<1>,2|C<3>}	125.1218	0.532	5	125.1218	0.284	5	124.7471	1.822	15	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(N[6]C[6]H)(S){1|S<1>,2|C<3>}	123.7630	0.000	1	123.7630	0.000	1	124.7471	1.822	15	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S)	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>}	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](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S){1|C<4>,1|H<1>,4|C<3>}	123.6140	0.078	2	123.8188	1.318	6	124.7471	1.822	15	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S)	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>}	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](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S){1|C<4>,1|H<1>,4|C<3>}	121.7450	0.000	1	123.8188	1.318	6	124.7471	1.822	15	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,4|C<3>}	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](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S){1|S<1>,4|C<3>}	124.3610	0.000	1	123.8188	1.318	6	124.7471	1.822	15	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,4|C<3>}	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](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S){1|O<1>,4|C<3>}	124.7895	0.149	2	123.8188	1.318	6	124.7471	1.822	15	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(S)	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>}	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](N[6]C[6,6a]H)(N[6]C[6]C)(S){1|O<1>,2|C<3>}	124.7530	0.000	1	124.7530	0.000	1	124.7471	1.822	15	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.2650	0.000	1	123.2650	0.000	1	122.7751	0.946	104	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,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]H){1|O<2>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	124.3550	0.057	2	123.5495	0.471	11	122.7751	0.946	104	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,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]H){3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	124.1420	0.000	1	123.5495	0.471	11	122.7751	0.946	104	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,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]H){4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.2741	0.592	8	123.5495	0.471	11	122.7751	0.946	104	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.6920	0.000	1	123.0707	0.143	3	122.7751	0.946	104	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.2600	0.264	2	123.0707	0.143	3	122.7751	0.946	104	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.9810	0.375	2	122.8233	0.145	3	122.7751	0.946	104	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.5080	0.000	1	122.8233	0.145	3	122.7751	0.946	104	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.4357	0.681	3	122.4357	0.463	3	122.7751	0.946	104	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.0930	0.000	1	122.6663	1.010	83	122.7751	0.946	104	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	122.4660	0.426	3	122.6663	1.010	83	122.7751	0.946	104	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.6642	1.032	78	122.6663	1.010	83	122.7751	0.946	104	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.0060	0.000	1	122.6663	1.010	83	122.7751	0.946	104	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	N[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(O)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	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[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	126.0380	0.000	1	126.0380	0.000	1	126.0380	0.000	1	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:N[6]-3:H-1:	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)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]O)(H)	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>}	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](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]O)(H){1|S<4>,4|C<3>}	121.9410	0.000	1	121.9410	0.000	1	121.9410	0.000	1	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(O){1|N<3>,4|C<3>}	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](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	121.6800	0.000	1	121.6800	0.000	1	121.6800	0.000	1	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7250	0.327	2	120.7250	0.107	2	120.3554	1.069	31	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1705	0.022	2	120.1705	0.000	2	120.3554	1.069	31	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(H)	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>}	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](N[6]C[6,6a]O)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	121.1730	0.000	1	121.1730	0.000	1	120.3554	1.069	31	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	121.0540	0.000	1	120.7269	0.649	16	120.3554	1.069	31	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|S<2>,2|C<3>}	120.0170	0.000	1	120.7269	0.649	16	120.3554	1.069	31	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	120.0425	0.011	2	120.7269	0.649	16	120.3554	1.069	31	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.9515	0.843	11	120.7269	0.649	16	120.3554	1.069	31	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(H){3|C<3>}	120.0070	0.000	1	120.7269	0.649	16	120.3554	1.069	31	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.1640	0.000	1	121.1640	0.000	1	120.3554	1.069	31	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7563	0.768	3	120.7563	0.589	3	120.3554	1.069	31	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9350	0.000	1	119.9350	0.000	1	120.3554	1.069	31	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]N[6]H)(H)	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>}	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](N[6]C[6,6a]O)(C[6]N[6]H)(H){2|C<3>}	119.4990	0.000	1	118.6112	0.324	5	120.3554	1.069	31	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]N[6]H)(H)	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>}	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](N[6]C[6,6a]O)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	118.3893	0.321	4	118.6112	0.324	5	120.3554	1.069	31	122.6709	2.204	372	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:S-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)	C[6](N[6]C[6,6a]H)2(SC)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]S)(H){2|H<1>,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]H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](N[6]C[6,6a]H)2(SC){3|C<3>}	123.2215	0.532	2	123.2215	0.284	2	123.2215	0.284	2	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:N[6]-3:N-2:	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)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,4|C<3>}	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](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN){1|N<3>,4|C<3>}	125.0190	0.606	6	125.0190	0.368	6	124.8667	0.469	7	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:N[6]-3:N-2:	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)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(NN)	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>}	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](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(NN){1|H<1>,4|C<3>}	123.9530	0.000	1	123.9530	0.000	1	124.8667	0.469	7	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a]-3:N[6]-3:N[6]-2:	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)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6])	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>}	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](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,1|O<1>,4|C<3>}	123.3050	0.000	1	123.3050	0.000	1	123.3050	0.000	1	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:S-2:	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)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(SC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,4|C<3>}	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](C[6]C[6a]C[6])(N[6]C[6,6a]H)(SC){5|C<3>}	119.1060	0.000	1	119.1060	0.000	1	119.1060	0.000	1	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	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)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6])	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>}	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](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	123.1237	1.259	6	123.1237	1.585	6	123.1237	1.585	6	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-2:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CN){1|H<1>,2|C<3>}	121.2190	1.078	2	121.2190	1.161	2	121.2190	1.161	2	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:N-2:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(NS)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,4|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]C)(NS){1|C<4>,2|C<3>}	124.1980	0.000	1	124.1980	0.000	1	125.2167	5.751	3	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:N-2:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(NO)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]N)(NO){1|H<1>,2|C<3>}	123.4960	0.000	1	123.4960	0.000	1	125.2167	5.751	3	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:N-2:	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)	C[6](N[6]C[6,6a]H)(C[6]S[6]N)(NO)	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>}	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](N[6]C[6,6a]H)(C[6]S[6]N)(NO){2|C<3>}	127.9560	0.000	1	127.9560	0.000	1	125.2167	5.751	3	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-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]H)(N[6]C[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(OCu)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,4|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]C)(OCu){1|H<1>,2|C<3>}	125.0710	0.000	1	125.0710	0.000	1	125.0710	0.000	1	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	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)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	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>}	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](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){2|H<1>,4|C<3>}	122.2905	1.090	4	122.8540	2.457	10	122.8540	2.457	10	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	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)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	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>}	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](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){2|H<1>,4|C<3>}	123.1310	2.331	4	122.8540	2.457	10	122.8540	2.457	10	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	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)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	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>}	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](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){1|O<1>,2|H<1>,4|C<3>}	123.3740	0.000	1	122.8540	2.457	10	122.8540	2.457	10	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	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)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	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>}	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](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){1|O<1>,2|H<1>,4|C<3>}	123.4800	0.000	1	122.8540	2.457	10	122.8540	2.457	10	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:N-2:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(NN)	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>}	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](N[6]C[6,6a]H)(N[6]C[6]C)(NN){1|O<1>,2|C<3>}	123.7800	0.000	1	123.7800	0.000	1	123.7800	0.000	1	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:N-2:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(NN)	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>}	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](N[6]C[6,6a]O)(C[6]C[6]C)(NN){1|H<1>,2|C<3>}	120.3100	0.000	1	120.3100	0.000	1	120.3100	0.000	1	123.3558	3.372	35	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|H<1>,3|C<3>}	121.0190	0.000	1	121.0190	0.000	1	121.0190	0.000	1	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:N-3:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6,6]H)(NHH)	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>}	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](N[6]C[6,6a]H)(N[6]C[6,6]H)(NHH){1|H<1>,1|N<3>,2|C<3>}	121.2490	0.808	2	121.2490	0.652	2	121.2490	0.652	2	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:C[5]-3:	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)	C[6](N[6]C[6,6a]H)2(C[5]C[5]2)	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>}	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](N[6]C[6,6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,5|C<3>}	123.7325	0.612	2	123.7325	0.374	2	123.7325	0.374	2	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5]-3:N[6]-3:C[6]-3:	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)	C[6](C[5]C[5,6a]C[5])(N[6]C[6,6a]H)(C[6]C[6]H)	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>}	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](C[5]C[5,6a]C[5])(N[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	125.0310	0.000	1	125.0310	0.000	1	125.0310	0.000	1	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a]-3:C[6]-3:N[6]-3:	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)	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]H)	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>}	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](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]H){1|H<1>,1|S<2>,5|C<3>}	123.8355	0.418	2	123.8355	0.175	2	123.8355	0.175	2	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C-3:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CCF)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	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](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CCF){1|H<1>,4|C<3>}	120.0710	0.000	1	120.0710	0.000	1	120.0710	0.000	1	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(H){1|H<1>,6|C<3>}	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](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	126.5190	0.000	1	126.5190	0.000	1	126.5190	0.000	1	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:C-3:	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)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(CCH)	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>}	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](C[6]C[6a]N[6])(N[6]C[6,6a]H)(CCH){4|C<3>}	122.3437	0.393	3	122.3437	0.154	3	122.3437	0.154	3	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	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)	C[6](C[6]C[6,6a]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	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>}	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](C[6]C[6,6a]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	125.2755	0.228	2	125.2755	0.052	2	123.8753	5.907	3	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	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)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(C[6]N[6]H)	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>}	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](C[6]C[6]N[6])(N[6]C[6,6a]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.0750	0.000	1	121.0750	0.000	1	123.8753	5.907	3	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:C[6a]-3:	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)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)	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>}	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](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	123.4300	0.000	1	123.4300	0.000	1	123.4300	0.000	1	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:N-3:	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)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(NCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,4|C<3>}	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](C[6]C[6a]C[6])(N[6]C[6,6a]H)(NCH){1|S<1>,4|C<3>}	121.5105	0.701	2	121.5105	0.491	2	121.5105	0.491	2	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:N[6]-3:	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)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(N[6]S[6]Co)	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>}	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](C[6]C[6]N[6])(N[6]C[6,6a]H)(N[6]S[6]Co){1|H<1>,4|C<3>}	122.0902	0.333	4	122.0902	0.111	4	122.0902	0.111	4	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	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)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H)	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>}	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](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	121.9590	0.000	1	124.2420	4.318	3	124.2420	4.318	3	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	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)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H)	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>}	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](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	125.3835	0.904	2	124.2420	4.318	3	124.2420	4.318	3	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|Cl<1>,2|C<3>}	124.6190	0.000	1	125.0595	0.388	2	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|H<1>,2|C<3>}	125.5000	0.000	1	125.0595	0.388	2	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|N<3>,2|C<3>}	118.2890	0.000	1	121.1175	16.001	2	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	123.9460	0.000	1	121.1175	16.001	2	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	123.8934	0.482	9	123.8934	0.232	9	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	122.6660	0.000	1	122.6660	0.000	1	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CNS)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	123.3180	0.000	1	123.3180	0.000	1	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|N<3>,2|C<3>}	121.9535	0.185	2	122.6169	1.291	19	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	122.2490	0.096	2	122.6169	1.291	19	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	122.7544	1.247	15	122.6169	1.291	19	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	123.9890	0.000	1	123.9890	0.000	1	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	123.1030	0.000	1	123.1030	0.000	1	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	121.9030	0.000	1	122.5425	0.818	2	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	123.1820	0.000	1	122.5425	0.818	2	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CCH)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]C)(CCH){1|H<1>,2|C<3>}	125.1920	0.000	1	125.1920	0.000	1	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(CHN)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]H)(CHN){2|C<3>}	122.6080	0.416	2	122.6080	0.173	2	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|C<4>,2|C<3>}	124.2980	0.245	4	124.3530	0.060	5	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|H<1>,2|C<3>}	124.5730	0.000	1	124.3530	0.060	5	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH)	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>}	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](N[6]C[6,6a]H)(C[6]O[6]O)(CCH){2|C<3>}	123.5060	0.000	1	123.2910	0.092	2	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH)	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>}	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](N[6]C[6,6a]H)(C[6]O[6]O)(CCH){2|C<3>}	123.0760	0.000	1	123.2910	0.092	2	123.2090	1.751	48	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:N-3:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(NBH){1|H<1>,2|C<3>}	124.2400	0.018	2	124.2400	0.000	2	124.2400	0.000	2	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	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>}	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](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	120.9260	0.000	1	120.9260	0.000	1	121.4070	0.463	2	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	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>}	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](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C){4|C<3>,4|H<1>}	121.8880	0.000	1	121.8880	0.000	1	121.4070	0.463	2	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:C-3:	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)	C[6](N[6]C[3]C[6])(N[6]C[6,6a]H)(CCH)	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>}	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](N[6]C[3]C[6])(N[6]C[6,6a]H)(CCH){2|C<3>,2|C<4>,3|H<1>}	123.7890	0.000	1	123.7890	0.000	1	123.7890	0.000	1	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)	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>}	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](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	124.1410	1.236	5	124.1410	1.528	5	124.1410	1.528	5	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a]-3:N[6]-3:C[6]-3:	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)	C[6](C[5a]N[5a]O[5a])(N[6]C[6,6a]O)(C[6]C[6]H)	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>}	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](C[5a]N[5a]O[5a])(N[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	120.3640	0.092	2	120.3640	0.008	2	120.3640	0.008	2	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:C[5]-3:	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)	C[6](C[6]C[5]N[6])(N[6]C[6,6a]O)(C[5]N[5]2)	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>}	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](C[6]C[5]N[6])(N[6]C[6,6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|N<3>,3|O<1>}	118.4990	0.683	2	118.4990	0.467	2	118.4990	0.467	2	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	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)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]O)(C[6]C[6]H)	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>}	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](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]O)(C[6]C[6]H){2|H<1>,5|C<3>}	122.2060	0.000	1	122.2060	0.000	1	122.2060	0.000	1	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[5]-3:C[6]-3:	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)	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H)	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>}	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](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H){2|C<3>,2|C<4>,2|O<1>}	118.1250	0.557	2	118.1250	0.310	2	118.1250	0.310	2	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	121.7340	0.000	1	121.7340	0.000	1	121.7340	0.000	1	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:N-3:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(NCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	121.1370	0.000	1	121.1370	0.000	1	121.1370	0.000	1	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){2|H<1>,5|C<3>}	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](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.6920	0.092	2	120.6920	0.008	2	120.1620	0.384	4	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]C)	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>}	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](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	119.5330	0.000	1	119.5330	0.000	1	120.1620	0.384	4	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S)	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>}	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](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S){1|O<1>,2|H<1>,4|C<3>}	119.7310	0.000	1	119.7310	0.000	1	120.1620	0.384	4	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	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)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]O)(C[6]C[6]H)	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>}	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](C[6a]C[6a]N[6a])(N[6]C[6,6a]O)(C[6]C[6]H){2|H<1>,4|C<3>}	120.9940	0.000	1	120.9940	0.000	1	120.9940	0.000	1	122.7243	3.311	98	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:N[6]-3:C-4:	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)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CN[5a]HH)	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>}	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](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CN[5a]HH){1|H<1>,4|C<3>}	124.3040	0.000	1	124.3040	0.000	1	124.3040	0.000	1	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5,6]-3:N[6]-3:C-4:	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)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(CH3)	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>}	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](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(CH3){1|S<2>,4|C<3>}	122.5280	0.000	1	122.5280	0.000	1	122.5280	0.000	1	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){3|C<3>}	123.8743	0.099	3	123.8115	0.022	4	123.6328	0.752	45	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	123.6230	0.000	1	123.8115	0.022	4	123.6328	0.752	45	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|O<2>,2|C<3>}	123.6590	0.000	1	123.6590	0.000	1	123.6328	0.752	45	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|N<3>,2|C<3>}	122.7400	0.143	3	123.1422	0.520	12	123.6328	0.752	45	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	124.1910	1.187	2	123.1422	0.520	12	123.6328	0.752	45	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	123.4360	0.000	1	123.1422	0.520	12	123.6328	0.752	45	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	122.9447	0.504	6	123.1422	0.520	12	123.6328	0.752	45	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	123.6008	0.558	19	123.5572	0.299	21	123.6328	0.752	45	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	123.1435	0.004	2	123.5572	0.299	21	123.6328	0.752	45	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CBrHH)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]C)(CBrHH){2|C<3>}	124.4980	0.000	1	124.4980	0.000	1	123.6328	0.752	45	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]C)(CH3){2|C<3>}	123.4865	0.295	2	123.4247	0.055	3	123.6328	0.752	45	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]C)(CH3){1|H<1>,2|C<3>}	123.3010	0.000	1	123.4247	0.055	3	123.6328	0.752	45	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3)	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>}	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](N[6]C[6,6a]H)(C[6]S[6]C)(CH3){2|C<3>}	127.2320	0.000	1	125.7973	1.566	3	123.6328	0.752	45	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3)	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>}	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](N[6]C[6,6a]H)(C[6]S[6]C)(CH3){1|O<1>,2|C<3>}	125.0800	0.212	2	125.7973	1.566	3	123.6328	0.752	45	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:C-4:	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)	C[6](N[6]B[5a,6]H)(N[6]C[6,6a]H)(CH3)	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>}	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](N[6]B[5a,6]H)(N[6]C[6,6a]H)(CH3){2|C<3>,2|O<2>}	124.1300	0.000	1	124.1300	0.000	1	123.8383	0.119	4	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:C-4:	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)	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CCHH)	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>}	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](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CCHH){2|C<3>,2|O<2>}	123.7380	0.000	1	123.7380	0.000	1	123.8383	0.119	4	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:C-4:	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)	C[6](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CH3)	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>}	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](N[6]B[6,6a]H)(N[6]C[6,6a]H)(CH3){2|C<3>,2|O<2>}	124.0910	0.000	1	124.0910	0.000	1	123.8383	0.119	4	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(N[6]C[6]N)(CH3)	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>}	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](N[6]C[6,6a]H)(N[6]C[6]N)(CH3){1|O<1>,2|C<3>}	123.3940	0.000	1	123.3940	0.000	1	123.8383	0.119	4	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	121.7020	0.000	1	121.7020	0.000	1	123.3638	0.360	12	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	123.5149	0.307	11	123.5149	0.094	11	123.3638	0.360	12	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:S-4:	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)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]O)(SCOO)	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>}	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](C[6]C[6a]N[6])(N[6]C[6,6a]O)(SCOO){1|O<1>,4|C<3>}	118.8380	0.000	1	118.8380	0.000	1	118.8380	0.000	1	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(CH3){3|C<3>}	120.8990	0.000	1	120.8990	0.000	1	120.0010	0.481	9	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	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>}	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](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){2|C<3>}	121.0990	0.000	1	119.8500	0.581	6	120.0010	0.481	9	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	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>}	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](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){2|C<3>}	119.4810	0.000	1	119.8500	0.581	6	120.0010	0.481	9	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	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>}	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](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){2|C<3>}	119.7525	0.360	2	119.8500	0.581	6	120.0010	0.481	9	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	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>}	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](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	120.1500	0.000	1	119.8500	0.581	6	120.0010	0.481	9	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	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>}	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](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	118.8650	0.000	1	119.8500	0.581	6	120.0010	0.481	9	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CCCH)	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>}	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](N[6]C[6,6a]O)(C[6]N[6]C)(CCCH){1|O<1>,2|C<3>}	120.0480	0.000	1	120.0480	0.000	1	120.0010	0.481	9	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CH3)	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>}	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](N[6]C[6,6a]O)(C[6]N[6]C)(CH3){1|O<1>,2|C<3>}	119.9620	0.000	1	119.9620	0.000	1	120.0010	0.481	9	123.0805	2.269	73	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O)	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>}	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](N[6]C[6,6a]H)(C[6]O[6]CC)(O){2|C<3>}	122.6695	0.969	2	122.6695	0.940	2	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O)	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>}	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](N[6]C[6,6a]H)(C[6]O[6]CC)(O){2|C<3>}	122.2220	0.000	1	122.2220	0.000	1	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>}	123.2000	0.000	1	123.2000	0.000	1	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	123.8920	0.000	1	123.8920	0.000	1	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	124.2539	0.529	15	124.1798	0.284	18	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	124.0540	0.000	1	124.1798	0.284	18	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>}	124.0960	0.000	1	124.1798	0.284	18	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>}	123.2770	0.000	1	124.1798	0.284	18	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	123.7430	0.000	1	123.7430	0.000	1	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]CO)(O)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]CO)(O){1|O<1>,2|C<3>}	123.8170	0.000	1	123.8170	0.000	1	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]CH)(O){1|C<4>,2|C<3>}	123.1770	0.000	1	124.1620	1.940	2	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]CH)(O){1|H<1>,2|C<3>}	125.1470	0.000	1	124.1620	1.940	2	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(O)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]HH)(O){3|C<3>}	122.9395	0.049	2	122.9395	0.002	2	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]N[6]HO)(O)	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>}	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](N[6]C[6,6a]H)(C[6]N[6]HO)(O){1|C<4>,2|C<3>}	123.8610	0.000	1	123.8610	0.000	1	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]O[6]CO)(O)	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>}	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](N[6]C[6,6a]H)(C[6]O[6]CO)(O){2|C<3>}	123.5870	0.000	1	123.5870	0.000	1	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]O[6]HH)(O)	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>}	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](N[6]C[6,6a]H)(C[6]O[6]HH)(O){2|C<3>}	122.3830	0.000	1	122.3830	0.000	1	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O)	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>}	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](N[6]C[6,6a]H)(C[6]S[6]CH)(O){2|C<3>}	127.2965	0.542	2	127.4167	0.190	3	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O)	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>}	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](N[6]C[6,6a]H)(C[6]S[6]CH)(O){2|C<3>}	127.6570	0.000	1	127.4167	0.190	3	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]S[6]FF)(O)	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>}	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](N[6]C[6,6a]H)(C[6]S[6]FF)(O){2|C<3>}	128.7920	0.000	1	128.7920	0.000	1	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(O)	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>}	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](N[6]C[6,6a]H)(C[6]S[6]HH)(O){2|C<3>}	127.1630	0.597	2	127.1630	0.356	2	124.3908	2.535	38	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	124.5190	0.000	1	124.5190	0.000	1	124.5190	0.000	1	124.3941	2.468	39	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:C-3:	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)	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(CC[5a]C)	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>}	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](N[6]C[6,6a]H)(C[6]S[6]HH)(CC[5a]C){2|C<3>}	126.8830	0.000	1	126.8830	0.000	1	126.8830	0.000	1	126.8830	0.000	1	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6,6]HH)(N[6]C[6,6a]H)(O)	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>}	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](C[6]C[6,6]HH)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>}	123.8680	0.000	1	123.8680	0.000	1	123.8680	0.000	1	125.0968	0.540	34	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:N[6]-3:O-1:	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)	C[6](C[4,6]C[4,5]C[4,6]O)(N[6]C[6,6a]H)(O)	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>}	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](C[4,6]C[4,5]C[4,6]O)(N[6]C[6,6a]H)(O){1|C<4>,2|H<1>,3|C<3>}	125.7920	0.000	1	125.7920	0.000	1	125.4505	0.233	2	125.0968	0.540	34	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:N[6]-3:O-1:	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)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]H)(O)	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>}	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](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	125.1090	0.000	1	125.1090	0.000	1	125.4505	0.233	2	125.0968	0.540	34	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O)	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>}	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](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	125.5838	0.273	4	125.6238	0.064	5	125.6238	0.064	5	125.0968	0.540	34	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O)	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>}	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](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	125.7840	0.000	1	125.6238	0.064	5	125.6238	0.064	5	125.0968	0.540	34	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]H)(O)	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>}	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](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	125.6160	0.684	2	125.6160	0.469	2	125.2885	0.428	19	125.0968	0.540	34	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O)	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>}	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](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	124.3863	0.710	4	124.7455	0.618	6	125.2885	0.428	19	125.0968	0.540	34	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O)	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>}	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](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O){2|C<4>,2|H<1>,3|C<3>}	125.4640	0.168	2	124.7455	0.618	6	125.2885	0.428	19	125.0968	0.540	34	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	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>}	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](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	125.1610	0.134	2	125.5594	0.102	8	125.2885	0.428	19	125.0968	0.540	34	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	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>}	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](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){1|N<3>,3|C<3>,3|H<1>}	125.8230	0.000	1	125.5594	0.102	8	125.2885	0.428	19	125.0968	0.540	34	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	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>}	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](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	125.6660	0.250	5	125.5594	0.102	8	125.2885	0.428	19	125.0968	0.540	34	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6,6a]H)(O)	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>}	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](C[5,6]C[5,6]C[5]Fe)(N[6]C[6,6a]H)(O){1|H<1>,2|C<3>,2|C<4>}	126.1180	0.000	1	126.1180	0.000	1	125.2885	0.428	19	125.0968	0.540	34	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[6,6a]H)(O)	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>}	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](C[5,6]C[5,6]S[5]H)(N[6]C[6,6a]H)(O){1|C<4>,1|N<2>,3|C<3>}	125.0920	0.305	2	125.0920	0.093	2	125.2885	0.428	19	125.0968	0.540	34	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]H)(O)	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>}	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](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	124.6567	0.324	3	124.6567	0.105	3	124.6567	0.105	3	125.0968	0.540	34	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6a]H)(O)	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>}	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](C[6]C[5a]N[6]H)(N[6]C[6,6a]H)(O){1|C<4>,4|C<3>}	123.8760	0.124	2	123.9880	0.022	4	123.9880	0.022	4	125.0968	0.540	34	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6a]H)(O)	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>}	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](C[6]C[5a]N[6]H)(N[6]C[6,6a]H)(O){1|C<4>,4|C<3>}	124.1000	0.037	2	123.9880	0.022	4	123.9880	0.022	4	125.0968	0.540	34	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:C-3:	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)	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH)	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>}	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](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH){1|C<4>,4|C<3>}	127.2400	0.000	1	127.9483	0.319	6	127.9483	0.319	6	126.9609	7.092	7	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:C-3:	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)	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH)	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>}	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](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH){5|C<3>}	128.0900	0.499	5	127.9483	0.319	6	127.9483	0.319	6	126.9609	7.092	7	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[3x6]-4:N[6]-3:C[6]-3:	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)	C[6](C[3x6]C[6,6]3)(N[6]C[6,6a]O)(C[6]C[6]H)	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>}	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](C[3x6]C[6,6]3)(N[6]C[6,6a]O)(C[6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	121.0360	0.000	1	121.0360	0.000	1	121.0360	0.000	1	126.9609	7.092	7	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]N)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC){2|H<1>,3|C<3>}	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](N[6]C[6,6a]N)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.7130	0.000	1	121.7130	0.000	1	121.7130	0.000	1	122.7267	0.704	6	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(OPt){1|H<1>,1|N<3>,3|C<3>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.9140	0.000	1	122.9140	0.000	1	122.9140	0.000	1	122.7267	0.704	6	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OB){2|H<1>,3|C<3>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	123.9930	0.000	1	123.9930	0.000	1	122.9333	0.762	4	122.7267	0.704	6	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.7400	0.000	1	122.7400	0.000	1	122.9333	0.762	4	122.7267	0.704	6	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OIr){1|H<1>,3|C<3>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.8880	0.000	1	121.8880	0.000	1	122.9333	0.762	4	122.7267	0.704	6	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OPd){1|H<1>,3|C<3>}	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](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.1120	0.000	1	123.1120	0.000	1	122.9333	0.762	4	122.7267	0.704	6	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]H)	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>}	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](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]H){2|H<1>,4|C<3>}	121.5715	1.394	2	121.5715	1.942	2	121.5715	1.942	2	121.5715	1.942	2	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:2:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:O[6a]-2:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>}	121.2930	0.000	1	121.2930	0.000	1	121.2930	0.000	1	121.2930	0.000	1	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:S[6a]-2:	N[6]-3:C[6]-3:N-3:	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])	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH)	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>}	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](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH){1|H<1>,1|S<2>,4|C<3>}	119.8970	0.291	2	119.8970	0.085	2	119.8970	0.085	2	119.8970	0.085	2	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:S[6a]-2:	N[6]-3:C[6]-4:O-1:	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])	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	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>}	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](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|S<2>,4|C<3>}	121.8720	0.000	1	121.8720	0.000	1	121.8005	0.010	2	121.8005	0.010	2	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:S[6a]-2:	N[6]-3:C[6]-4:O-1:	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])	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HN)(O)	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>}	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](N[6]C[6,6a]C[6a])(C[6]C[6]HN)(O){1|H<1>,1|S<2>,4|C<3>}	121.7290	0.000	1	121.7290	0.000	1	121.8005	0.010	2	121.8005	0.010	2	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]N[6]H)(H)	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>}	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](N[6]C[6,6a]C)(C[6]N[6]H)(H){2|C<3>}	120.7130	0.000	1	120.7130	0.000	1	120.7130	0.000	1	122.1216	2.608	10	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C[6a])2(H)	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>}	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](N[6]C[6,6a]C[6a])2(H){7|C<3>}	121.1175	0.006	2	121.1175	0.000	2	121.1175	0.000	2	122.1216	2.608	10	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:N[6]-3:S-1:	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)	C[6](N[6]C[6,6a]C[6a])2(S)	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>}	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](N[6]C[6,6a]C[6a])2(S){7|C<3>}	123.9477	0.385	4	123.9477	0.148	4	123.9477	0.148	4	122.1216	2.608	10	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C[6a])(C[6]N[6]H)(H)	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>}	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](N[6]C[6,6a]C[6a])(C[6]N[6]H)(H){4|C<3>}	120.8257	0.568	3	120.8257	0.322	3	120.8257	0.322	3	122.1216	2.608	10	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6]-3:	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)	C[6](N[6]C[6,6a]C[6a])2(C[6]N[6]2)	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>}	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](N[6]C[6,6a]C[6a])2(C[6]N[6]2){11|C<3>}	116.3530	0.000	1	116.3530	0.000	1	116.3530	0.000	1	121.4352	12.032	4	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-3:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCH)	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>}	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](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCH){1|H<1>,6|C<3>}	122.9710	1.228	2	122.9710	1.507	2	122.9710	1.507	2	121.4352	12.032	4	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H)	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>}	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](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H){2|H<1>,8|C<3>}	123.4460	0.000	1	123.4460	0.000	1	123.4460	0.000	1	121.4352	12.032	4	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]N[6]CH)(O){3|C<3>}	120.4435	0.872	4	120.4435	0.761	4	121.6685	4.063	6	122.0196	2.972	12	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	124.0130	0.000	1	124.0130	0.000	1	121.6685	4.063	6	122.0196	2.972	12	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]S[6]HH)(O){1|O<1>,2|C<3>}	124.2240	0.000	1	124.2240	0.000	1	121.6685	4.063	6	122.0196	2.972	12	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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])	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	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>}	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](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|H<1>,4|C<3>}	121.9320	0.000	1	121.9320	0.000	1	121.9320	0.000	1	122.0196	2.972	12	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]CN)(O)	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>}	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](N[6]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|O<1>,4|C<3>}	124.0240	0.000	1	124.0240	0.000	1	122.4584	2.667	5	122.0196	2.972	12	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	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>}	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](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|H<1>,4|C<3>}	123.1970	0.000	1	123.1970	0.000	1	122.4584	2.667	5	122.0196	2.972	12	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O)	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>}	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](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O){4|C<3>}	119.7100	0.000	1	119.7100	0.000	1	122.4584	2.667	5	122.0196	2.972	12	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	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>}	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](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|H<1>,3|C<3>}	122.6805	0.135	2	122.6805	0.018	2	122.4584	2.667	5	122.0196	2.972	12	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	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>}	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](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	125.1660	0.000	1	124.5945	0.653	2	124.5945	0.653	2	123.7757	2.338	3	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	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>}	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](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){1|N<3>,3|C<3>,3|H<1>}	124.0230	0.000	1	124.5945	0.653	2	124.5945	0.653	2	123.7757	2.338	3	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6a]O[6]C)(N[6]C[6,6a]C)(O)	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>}	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](C[6]C[6a]O[6]C)(N[6]C[6,6a]C)(O){4|C<3>}	122.1380	0.000	1	122.1380	0.000	1	122.1380	0.000	1	123.7757	2.338	3	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>}	119.2420	0.000	1	119.0960	0.117	8	119.0960	0.117	8	119.0960	0.117	8	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>}	118.9240	0.274	4	119.0960	0.117	8	119.0960	0.117	8	119.0960	0.117	8	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<1>}	119.5180	0.075	2	119.0960	0.117	8	119.0960	0.117	8	119.0960	0.117	8	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<2>}	118.7940	0.000	1	119.0960	0.117	8	119.0960	0.117	8	119.0960	0.117	8	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:O-1:	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)	C[6](N[6]C[6,6a]C)(O[6]C[6])(O)	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>}	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](N[6]C[6,6a]C)(O[6]C[6])(O){1|C<4>,3|C<3>}	121.7530	0.000	1	121.7530	0.000	1	121.7530	0.000	1	121.0410	0.380	3	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:O-1:	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)	C[6](N[6]C[6,6a]S)(O[6]C[6])(O)	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>}	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](N[6]C[6,6a]S)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	120.6850	0.000	2	120.6850	0.000	2	120.6850	0.000	2	121.0410	0.380	3	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:2:3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-2:C-3:	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)	C[6](N[6]C[6,6a]S)(N[6]C[6])(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(SC[6a]OO){1|H<1>,3|C<3>}	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](N[6]C[6,6a]S)(N[6]C[6])(CCH){3|C<3>}	114.3480	0.000	1	114.3480	0.000	1	114.3480	0.000	1	114.3480	0.000	1	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:B-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<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](N[6]C[6,6a]B)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.3940	0.000	1	118.3940	0.000	1	118.6475	0.129	2	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:B-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BN3){2|H<1>,3|C<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](N[6]C[6,6a]B)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9010	0.000	1	118.9010	0.000	1	118.6475	0.129	2	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:B-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]B)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	117.3080	0.068	2	117.3080	0.005	2	117.3080	0.005	2	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[5,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(CCHH){1|N<2>,4|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	118.5660	0.000	1	118.5660	0.000	1	118.5660	0.000	1	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.4680	0.000	1	121.4680	0.000	1	121.4680	0.000	1	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)2(H)	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>}	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](N[6]C[6,6a]C)2(H){3|C<3>}	120.2837	0.425	4	120.2837	0.180	4	120.2522	0.111	6	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)2(H)	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>}	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](N[6]C[6,6a]C)2(H){3|C<3>}	120.1890	0.040	2	120.1890	0.002	2	120.2522	0.111	6	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(CCHH){1|H<1>,1|N<3>,3|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>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.0275	0.463	2	121.0275	0.215	2	121.0275	0.215	2	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:N[6]-3:H-1:	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)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]C)(H)	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>}	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](C[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]C)(H){1|N<2>,1|N<3>,3|C<3>}	121.8930	0.000	1	121.8930	0.000	1	121.8930	0.000	1	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,4|C<3>}	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](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	121.2020	0.000	1	121.2020	0.000	1	122.4457	6.484	6	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]C)(H)	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>}	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](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]C)(H){4|C<3>}	125.0565	3.398	2	125.0565	11.544	2	122.4457	6.484	6	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	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>}	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](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	120.7550	0.000	1	120.7550	0.000	1	122.4457	6.484	6	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CH3){1|H<1>,4|C<3>}	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](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	121.3020	0.471	2	121.3020	0.222	2	122.4457	6.484	6	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	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)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	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>}	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](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|N<2>,3|C<3>}	120.3650	0.000	1	120.3650	0.000	1	120.4813	0.322	9	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	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)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	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>}	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](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|N<2>,3|C<3>}	120.5220	0.000	2	120.5220	0.000	2	120.4813	0.322	9	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	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)	C[6](C[6]C[5]C[6])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	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](C[6]C[5]C[6])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	121.8510	0.000	1	121.8510	0.000	1	120.4813	0.322	9	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	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)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	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>}	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](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|N<2>,3|C<3>}	120.4860	0.000	1	120.2144	0.081	5	120.4813	0.322	9	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	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)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	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>}	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](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|N<3>,3|C<3>}	120.4940	0.000	1	120.2144	0.081	5	120.4813	0.322	9	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	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)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	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>}	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](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|Cd<4>,1|N<3>,3|C<3>}	119.9660	0.218	2	120.2144	0.081	5	120.4813	0.322	9	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	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)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	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>}	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](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	120.1600	0.000	1	120.2144	0.081	5	120.4813	0.322	9	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[4,6]-3:N[6]-3:O-1:	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)	C[6](N[4,6]C[4,6]C[4])(N[6]C[6,6a]C)(O)	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>}	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](N[4,6]C[4,6]C[4])(N[6]C[6,6a]C)(O){2|C<4>,3|C<3>}	121.5180	0.000	1	121.5180	0.000	1	121.5180	0.000	1	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5,6]-3:N[6]-3:O-1:	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)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(O)	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>}	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](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	122.5765	0.457	2	122.3453	0.141	4	122.3453	0.141	4	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5,6]-3:N[6]-3:O-1:	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)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(O)	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>}	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](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	122.1140	0.000	2	122.3453	0.141	4	122.3453	0.141	4	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6]-3:N[6]-3:O-1:	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)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(O)	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>}	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](N[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(O){1|O<1>,2|C<4>,3|C<3>}	122.8290	0.000	1	122.8290	0.000	1	122.8290	0.000	1	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6a]-3:N[6]-3:O-1:	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)	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(CH3){1|H<1>,4|C<3>}	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](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	123.5360	0.000	1	123.5360	0.000	1	123.5360	0.000	1	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	117.2120	0.000	1	117.2120	0.000	1	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|Ir<8>,2|C<3>}	120.0880	0.000	1	120.0880	0.000	1	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	119.8480	0.744	2	119.8480	0.553	2	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|F<1>,4|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	119.0940	0.000	1	119.0940	0.000	1	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	119.5681	0.503	18	119.5681	0.253	18	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.5480	0.000	1	120.8124	0.358	22	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.0079	0.521	16	120.8124	0.358	22	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){3|C<3>}	120.2396	0.528	5	120.8124	0.358	22	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.4200	0.040	2	121.4200	0.002	2	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.1160	0.000	1	121.1160	0.000	1	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	118.5230	0.059	2	119.5097	2.922	3	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	121.4830	0.000	1	119.5097	2.922	3	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.0102	0.458	14	121.0102	0.210	14	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.0018	0.260	6	121.0018	0.067	6	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.3780	0.124	2	120.6007	4.649	11	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|Os<6>,2|C<3>}	120.2906	2.497	8	120.6007	4.649	11	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.5270	0.000	1	120.6007	4.649	11	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.8410	0.000	1	121.8410	0.000	1	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]B)(H)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]B)(H){1|H<1>,2|C<3>}	121.3210	0.000	1	121.3210	0.000	1	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	121.5740	0.087	3	121.5740	0.008	3	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	121.3162	0.624	5	121.2232	0.257	18	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|Pd<4>,2|C<3>}	120.9060	0.000	1	121.2232	0.257	18	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.3540	0.307	3	121.2232	0.257	18	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.4733	0.363	6	121.2232	0.257	18	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){3|C<3>}	120.5427	0.055	3	121.2232	0.257	18	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]N)(H)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	122.0237	0.225	3	122.0237	0.051	3	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.2053	0.226	3	121.2053	0.051	3	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(H)	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>}	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](N[6]C[6,6a]C)(C[6]S[6]C)(H){2|C<3>}	122.4110	0.000	1	122.4110	0.000	1	120.6914	1.239	112	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O)	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>}	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](N[6]C[6,6a]C)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	123.0805	0.310	2	123.0805	0.096	2	124.5911	1.908	20	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O)	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>}	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](N[6]C[6,6a]C)(C[6]S[6]C)(O){2|C<3>}	125.2240	0.823	11	125.2240	0.678	11	124.5911	1.908	20	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O)	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>}	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](N[6]C[6,6a]C)(C[6]S[6]C)(O){2|C<3>}	124.6670	0.000	1	124.6670	0.000	1	124.5911	1.908	20	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O)	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>}	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](N[6]C[6,6a]C)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	123.2330	0.000	1	123.2330	0.000	1	124.5911	1.908	20	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O)	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>}	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](N[6]C[6,6a]C)(C[6]S[6]C)(O){2|C<3>}	125.9810	0.663	2	125.9810	0.440	2	124.5911	1.908	20	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6,6]O)(O)	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>}	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](N[6]C[6,6a]C)(C[6]C[6,6]O)(O){2|C<3>,2|C<4>}	121.4080	0.000	1	121.4080	0.000	1	124.5911	1.908	20	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O)	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>}	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](N[6]C[6,6a]C)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	122.5770	0.000	1	122.5770	0.000	1	124.5911	1.908	20	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O)	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>}	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](N[6]C[6,6a]C)(C[6]S[6]C)(O){2|C<3>}	124.3510	0.000	1	124.3510	0.000	1	124.5911	1.908	20	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(N[6]B[6]C)(H)	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>}	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](N[6]C[6,6a]C)(N[6]B[6]C)(H){1|F<1>,3|C<3>}	120.2982	0.452	4	120.2982	0.205	4	120.0712	0.411	5	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(N[6]C[6]2)(H)	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>}	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](N[6]C[6,6a]C)(N[6]C[6]2)(H){2|C<3>,2|C<4>,3|H<1>}	119.1630	0.000	1	119.1630	0.000	1	120.0712	0.411	5	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	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>}	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](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	121.7690	0.332	2	121.7550	0.103	6	121.7550	0.103	6	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	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>}	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](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,1|P<4>,2|C<3>}	122.0130	0.000	1	121.7550	0.103	6	121.7550	0.103	6	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	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>}	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](N[6]C[6,6a]C)(N[6]C[6]H)(O){2|C<3>,2|C<4>}	121.9750	0.000	1	121.7550	0.103	6	121.7550	0.103	6	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	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)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	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>}	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](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,3|C<3>}	121.5020	0.403	2	121.7550	0.103	6	121.7550	0.103	6	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]H)(CH3){5|C<3>}	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](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|O<2>,4|C<3>}	121.6834	0.467	5	121.6834	0.218	5	121.6834	0.218	5	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.0030	0.294	2	121.0030	0.087	2	121.0380	0.047	3	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.1080	0.000	1	121.1080	0.000	1	121.0380	0.047	3	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[3]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H)	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>}	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](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	120.2760	0.000	1	120.3645	0.016	2	120.3645	0.016	2	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[3]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H)	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>}	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](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H){2|C<4>,2|H<1>,4|C<3>}	120.4530	0.000	1	120.3645	0.016	2	120.3645	0.016	2	121.1899	2.999	190	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:N-2:	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)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]C)(NC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CCCH){1|H<1>,4|C<3>}	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](C[6]C[6a]C[6])(N[6]C[6,6a]C)(NC){5|C<3>}	119.9000	0.000	1	119.9000	0.000	1	119.9000	0.000	1	119.9710	3.619	3	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-2:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(CC){1|H<1>,2|C<3>}	121.9080	0.000	1	121.9080	0.000	1	121.9080	0.000	1	119.9710	3.619	3	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	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)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6])	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>}	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](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,3|H<1>,4|C<3>}	118.1050	0.000	1	118.1050	0.000	1	118.1050	0.000	1	119.9710	3.619	3	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:N[6]-3:	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)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]C)2	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>}	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](C[6a]C[6a]N[6a])(N[6]C[6,6a]C)2{1|H<1>,5|C<3>}	121.3785	0.025	2	121.3785	0.001	2	121.3785	0.001	2	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:C[6]-3:	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)	C[6](N[6]C[6,6a]C)2(C[6]N[6]2)	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>}	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](N[6]C[6,6a]C)2(C[6]N[6]2){2|C<4>,5|C<3>}	113.0060	0.810	2	113.0060	0.657	2	114.7493	4.297	4	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:C[6]-3:	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)	C[6](N[6]C[6,6a]C)2(C[6]N[6]2)	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>}	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](N[6]C[6,6a]C)2(C[6]N[6]2){2|C<4>,5|C<3>}	116.4925	0.281	2	116.4925	0.079	2	114.7493	4.297	4	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|N<3>,2|C<3>}	120.5100	0.211	2	120.8948	1.028	5	121.8413	0.931	35	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){3|C<3>}	119.6650	0.000	1	120.8948	1.028	5	121.8413	0.931	35	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	121.8945	0.511	2	120.8948	1.028	5	121.8413	0.931	35	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H){1|H<1>,2|C<3>}	122.1240	0.000	1	122.1240	0.000	1	121.8413	0.931	35	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){3|C<3>}	120.1770	0.000	1	122.1794	0.333	22	121.8413	0.931	35	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	122.2747	0.374	21	122.1794	0.333	22	121.8413	0.931	35	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[4a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(CC[4a]H){1|C<4>,2|C<3>}	121.6580	0.000	1	121.6580	0.000	1	121.8413	0.931	35	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Br)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Br){1|H<1>,2|C<3>}	121.5020	0.000	1	121.5020	0.000	1	121.8413	0.931	35	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]C){1|H<1>,2|C<3>}	121.6355	0.153	2	121.6355	0.024	2	121.8413	0.931	35	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Cl){1|H<1>,2|C<3>}	122.8540	0.000	1	122.8540	0.000	1	121.8413	0.931	35	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H){1|H<1>,2|C<3>}	118.3730	0.000	1	118.3730	0.000	1	121.8413	0.931	35	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]S){1|H<1>,2|C<3>}	122.2420	0.000	1	122.2420	0.000	1	121.8413	0.931	35	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-3:	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)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C)	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>}	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](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	117.8230	0.105	2	117.8230	0.011	2	117.8230	0.011	2	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	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)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]C)	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>}	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](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,5|C<3>}	118.0430	0.000	1	118.0430	0.000	1	118.0430	0.000	1	120.9065	5.917	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C-4:	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)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	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](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	121.7400	0.000	1	121.7400	0.000	1	121.7400	0.000	1	121.4350	0.417	4	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	120.4710	0.000	1	120.4710	0.000	1	121.3333	0.563	3	121.4350	0.417	4	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,4|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	121.6910	0.000	1	121.6910	0.000	1	121.3333	0.563	3	121.4350	0.417	4	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	121.8380	0.000	1	121.8380	0.000	1	121.3333	0.563	3	121.4350	0.417	4	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]O[6]CH)(O){2|C<3>}	120.8520	0.000	1	121.0655	0.091	2	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]O[6]CH)(O){2|C<3>}	121.2790	0.000	1	121.0655	0.091	2	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]O[6]HH)(O){2|C<3>}	120.6002	0.536	5	120.4109	0.334	7	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]O[6]HH)(O){2|C<3>}	119.9375	0.477	2	120.4109	0.334	7	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]S[6]HH)(O){2|C<3>}	123.8347	0.373	4	123.8347	0.139	4	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]S[6]HH)(O){2|C<3>}	123.4070	0.000	1	123.4070	0.000	1	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]S[6]HH)(O){2|C<3>}	123.7334	0.500	5	123.7334	0.250	5	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	119.8520	0.000	1	119.8520	0.000	1	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]CC)(O){2|C<3>,2|H<1>}	123.4220	0.000	1	123.4220	0.000	1	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]CN)(O)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]CN)(O){2|C<3>,2|H<1>}	123.1200	0.000	1	123.1200	0.000	1	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]O[6]CH)(O){2|C<3>}	120.7410	0.000	1	120.7410	0.000	1	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]O[6]HH)(O){2|C<3>}	120.9240	0.000	1	120.5940	0.218	2	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]O[6]HH)(O){2|C<3>}	120.2640	0.000	1	120.5940	0.218	2	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]S[6]HH)(O){2|C<3>}	123.7350	0.000	1	123.7350	0.000	1	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(O)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]HS)(O){1|C<4>,1|H<1>,2|C<3>}	121.1700	0.000	1	121.1700	0.000	1	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]CC)(O){3|C<3>}	121.5910	0.000	1	121.5910	0.000	1	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	121.7950	0.000	1	122.1680	0.278	2	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	122.5410	0.000	1	122.1680	0.278	2	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]CN)(O)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]CN)(O){1|O<1>,2|C<3>}	122.9380	0.290	2	122.9380	0.084	2	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]CS)(O)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]CS)(O){1|C<4>,1|H<1>,2|C<3>}	123.2620	0.000	1	123.2620	0.000	1	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]FF)(O)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]FF)(O){1|H<1>,3|C<3>}	123.5630	0.000	1	123.5630	0.000	1	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	121.3880	0.000	1	121.3880	0.000	1	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(O)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]HO)(O){1|H<1>,3|C<3>}	121.6380	0.000	1	121.6380	0.000	1	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(O)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]HS)(O){1|C<4>,1|H<1>,2|C<3>}	122.6910	0.000	1	122.6910	0.000	1	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]N[6]CH)(O){1|C<4>,2|C<3>}	120.7840	0.000	1	120.7840	0.000	1	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	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>}	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](N[6]C[6,6a]C)(C[6]S[6]HH)(O){2|C<3>}	123.8653	0.494	3	123.8653	0.244	3	122.2530	2.197	41	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(O)	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>}	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](N[6]C[6,6a]S)(C[6]C[6]CC)(O){3|C<3>}	120.6830	0.000	1	120.6830	0.000	1	120.6023	0.294	3	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]S)(C[6]C[6]CN)(O)	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>}	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](N[6]C[6,6a]S)(C[6]C[6]CN)(O){1|H<1>,3|C<3>}	120.5620	0.761	2	120.5620	0.579	2	120.6023	0.294	3	122.1405	2.235	44	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:C-3:	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)	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H)	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>}	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](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H){1|S<4>,2|C<3>}	115.8636	0.533	5	115.8636	0.284	5	115.8636	0.284	5	115.8636	0.284	5	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6,6a]CC)(N[6]C[6,6a]C)(O)	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>}	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](C[6]C[6,6a]CC)(N[6]C[6,6a]C)(O){1|N<2>,2|C<3>}	123.1025	0.015	2	123.1025	0.000	2	123.2540	0.069	3	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6,6a]C)(O)	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>}	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](C[6]C[6,6a]C[6a]C)(N[6]C[6,6a]C)(O){1|N<2>,4|C<3>}	123.5570	0.000	1	123.5570	0.000	1	123.2540	0.069	3	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,5,6]-4:N[6]-3:O-1:	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)	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(N[6]C[6,6a]C)(O)	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>}	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](C[4,5,6]C[4,5]C[4,6]C[5])(N[6]C[6,6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	122.9170	0.000	1	122.9170	0.000	1	122.9170	0.000	1	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:N[6]-3:O-1:	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)	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6,6a]C)(O)	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>}	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](C[4,6]C[4,6]C[4]C)(N[6]C[6,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	123.6410	0.042	2	123.6410	0.002	2	123.7607	0.062	6	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:N[6]-3:O-1:	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)	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6,6a]C)(O)	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>}	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](C[4,6]C[4,6]C[4]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	123.8205	0.296	4	123.8205	0.088	4	123.7607	0.062	6	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]C)(O)	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>}	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](C[5,6]C[5]2C[6])(N[6]C[6,6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	122.6620	0.000	1	122.6620	0.000	1	123.3168	1.112	15	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	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>}	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](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){2|C<3>,2|C<4>,3|H<1>}	121.7160	0.000	1	121.7160	0.000	1	123.3168	1.112	15	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	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>}	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](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.8970	0.000	1	122.9410	0.317	6	123.3168	1.112	15	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	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>}	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](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	123.3035	0.060	2	122.9410	0.317	6	123.3168	1.112	15	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	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>}	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](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	122.9820	0.413	2	122.9410	0.317	6	123.3168	1.112	15	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	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>}	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](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|S<2>,2|H<1>,3|C<3>}	123.1780	0.000	1	122.9410	0.317	6	123.3168	1.112	15	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6,6a]C)(O)	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>}	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](C[5,6]C[5,6]C[5]Fe)(N[6]C[6,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	124.2805	0.076	2	124.2805	0.006	2	123.3168	1.112	15	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[6a]C[5])(N[6]C[6,6a]C)(O)	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>}	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](C[5,6]C[5,6]C[6a]C[5])(N[6]C[6,6a]C)(O){1|Si<4>,2|H<1>,5|C<3>}	123.1800	0.000	1	123.1800	0.000	1	123.3168	1.112	15	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,5|C<3>}	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](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O){1|O<1>,6|C<3>}	123.2835	0.211	2	123.2835	0.045	2	123.3168	1.112	15	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6a]C[5]N[6])(N[6]C[6,6a]C)(O)	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>}	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](C[5,6]C[5,6a]C[5]N[6])(N[6]C[6,6a]C)(O){1|H<1>,6|C<3>}	123.2380	0.000	1	123.2380	0.000	1	123.3168	1.112	15	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]Se[5]Se[6]N[5])(N[6]C[6,6a]C)(O)	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>}	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](C[5,6]Se[5]Se[6]N[5])(N[6]C[6,6a]C)(O){1|C<4>,4|C<3>}	126.1820	0.000	1	126.1820	0.000	1	123.3168	1.112	15	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	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>}	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](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|Si<4>,1|N<2>,2|C<3>,2|H<1>}	122.5020	0.000	1	122.5020	0.000	1	122.4329	0.413	9	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]2Cl)(N[6]C[6,6a]C)(O)	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>}	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](C[6,6]C[6,6]2Cl)(N[6]C[6,6a]C)(O){2|C<3>,2|C<4>,3|O<2>}	122.9190	0.000	1	122.9190	0.000	1	122.4329	0.413	9	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	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>}	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](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	123.3870	0.000	1	122.3536	0.503	7	122.4329	0.413	9	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	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>}	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](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	122.4305	0.398	2	122.3536	0.503	7	122.4329	0.413	9	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	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)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	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>}	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](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){2|H<1>,4|C<3>}	122.0567	0.690	4	122.3536	0.503	7	122.4329	0.413	9	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[5,6]CH)(N[6]C[6,6a]C)(O)	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>}	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](C[6]C[5,6]CH)(N[6]C[6,6a]C)(O){1|C<4>,3|C<3>}	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[4,6]-4:N[6]-3:O-1:	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)	C[6](C[4,6]C[4]2O[6])(N[6]C[6,6a]C[6])(O)	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>}	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](C[4,6]C[4]2O[6])(N[6]C[6,6a]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	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>}	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](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){2|H<1>,2|N<2>,3|C<3>}	121.0330	0.000	1	121.5544	0.176	7	121.4718	0.206	8	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	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>}	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](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	121.6413	0.385	6	121.5544	0.176	7	121.4718	0.206	8	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	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)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(O)	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>}	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](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.8930	0.000	1	120.8930	0.000	1	121.4718	0.206	8	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(O)	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>}	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](C[6]C[3,6]CC)(N[6]C[6,6a]S)(O){1|N<2>,3|C<3>}	121.8990	0.791	3	121.8990	0.626	3	121.2816	0.671	7	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	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>}	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](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|N<3>,4|C<3>}	120.2300	0.000	1	120.7133	0.320	3	121.2816	0.671	7	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	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>}	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](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|O<2>,4|C<3>}	121.3350	0.000	1	120.7133	0.320	3	121.2816	0.671	7	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	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>}	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](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|N<3>,4|C<3>}	120.5750	0.000	1	120.7133	0.320	3	121.2816	0.671	7	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6a]C[6]N)(N[6]C[6,6a]S)(O)	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>}	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](C[6]C[6a]C[6]N)(N[6]C[6,6a]S)(O){2|H<1>,4|C<3>}	121.1340	0.000	1	121.1340	0.000	1	121.2816	0.671	7	122.5355	1.508	51	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[3]-4:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	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>}	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](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.1200	0.091	2	119.1200	0.008	2	119.8830	0.810	11	119.8807	0.686	13	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[3]-4:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	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>}	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](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	118.9290	0.000	1	120.0526	0.834	9	119.8830	0.810	11	119.8807	0.686	13	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[3]-4:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	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>}	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](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.1930	0.866	8	120.0526	0.834	9	119.8830	0.810	11	119.8807	0.686	13	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:In[4]-4:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3: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)	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](N[6]C[6,6a]In[4])(C[6]C[6]H)(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){1|In<4>,1|In<6>,1|H<1>,1|N<2>,3|C<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]){1|Cl<1>,1|Se<2>,1|Se<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]In[4])(C[6]C[6]H)(H){1|Cl<1>,1|Se<2>,1|Se<3>,1|H<1>,2|C<3>}	119.6110	0.000	1	119.6110	0.000	1	119.6110	0.000	1	119.8807	0.686	13	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:In[6]-4:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3: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)	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](N[6]C[6,6a]In[6])(C[6]C[6]H)(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){1|In<4>,1|In<5>,1|In<6>,1|H<1>,1|N<2>,3|C<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]){1|Cl<1>,1|Se<2>,1|Se<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]In[6])(C[6]C[6]H)(H){1|Cl<1>,1|Se<2>,1|Se<3>,1|H<1>,2|C<3>}	120.1250	0.000	1	120.1250	0.000	1	120.1250	0.000	1	119.8807	0.686	13	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C[6])(C[6]O[6]HH)(O)	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>}	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](N[6]C[6,6a]C[6])(C[6]O[6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	119.0370	0.000	1	119.0370	0.000	1	119.0370	0.000	1	119.0370	0.000	1	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:5:3:	3:3:3:	3:3:1:	C[6,6a]-3:Si-5:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]Si)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]Si)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.0090	0.000	1	118.0090	0.000	1	118.0090	0.000	1	118.0090	0.000	1	122.3894	4.019	1133	122.2867	4.257	1257
856	643	762	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O[6]-2:O-1:	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)	C[6](N[6]C[6,6a]H)(O[6]C[4,6])(O)	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>}	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](N[6]C[6,6a]H)(O[6]C[4,6])(O){2|C<3>,2|C<4>}	122.4180	0.000	1	122.4180	0.000	1	122.4180	0.000	1	122.4180	0.000	1	118.6026	10.959	14	118.6026	10.959	14
856	643	762	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2700	0.000	1	120.2700	0.000	1	120.2700	0.000	1	120.2700	0.000	1	118.6026	10.959	14	118.6026	10.959	14
856	643	762	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a]-3:N[6]-3:N[6]-2:	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)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6])	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>}	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](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	120.7780	0.000	1	120.7780	0.000	1	120.7780	0.000	1	121.5613	0.596	4	118.6026	10.959	14	118.6026	10.959	14
856	643	762	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:N[6]-2:	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)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6])	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>}	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](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	122.6190	0.000	1	122.6190	0.000	1	122.6190	0.000	1	121.5613	0.596	4	118.6026	10.959	14	118.6026	10.959	14
856	643	762	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6]-2:	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)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	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>}	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](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){2|H<1>,4|C<3>}	121.4240	0.129	2	121.4240	0.017	2	121.4240	0.017	2	121.5613	0.596	4	118.6026	10.959	14	118.6026	10.959	14
856	643	762	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6]-3:	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)	C[6](N[6]C[6,6a]C[6a])2(C[6]N[6]2)	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>}	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](N[6]C[6,6a]C[6a])2(C[6]N[6]2){11|C<3>}	112.2690	0.000	1	112.2690	0.000	1	112.2690	0.000	1	112.2690	0.000	1	118.6026	10.959	14	118.6026	10.959	14
856	643	762	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-4:O-1:	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)	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O)	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>}	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](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O){4|C<3>}	118.7020	0.000	1	118.7020	0.000	1	118.7020	0.000	1	118.7020	0.000	1	118.6026	10.959	14	118.6026	10.959	14
856	643	762	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	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)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	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>}	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](N[6]C[6,6a]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	117.1460	0.000	1	117.1460	0.000	1	117.1460	0.000	1	117.1460	0.000	1	118.6026	10.959	14	118.6026	10.959	14
856	643	762	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:C-3:	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)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]H)	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>}	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](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<3>}	116.5370	0.000	1	116.5370	0.000	1	115.1357	1.474	3	115.1357	1.474	3	118.6026	10.959	14	118.6026	10.959	14
856	643	762	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:C-3:	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)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]P[6])	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>}	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](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]P[6]){1|C<4>,1|O<2>,2|C<3>}	114.4350	0.057	2	114.4350	0.003	2	115.1357	1.474	3	115.1357	1.474	3	118.6026	10.959	14	118.6026	10.959	14
856	643	762	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	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)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	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>}	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](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|O<2>,4|C<3>}	120.8300	0.000	1	120.8300	0.000	1	120.8300	0.000	1	120.8300	0.000	1	118.6026	10.959	14	118.6026	10.959	14
856	643	762	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:4:	3:3:3:	4:3:3:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[3,6]-4:N[6]-3:C-3:	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)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6,6a]S)(CHH)	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>}	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](C[3,6]C[3,6]C[3]H)(N[6]C[6,6a]S)(CHH){2|H<1>,3|C<3>}	117.1490	0.000	1	117.1490	0.000	1	117.1490	0.000	1	117.1490	0.000	1	118.6026	10.959	14	118.6026	10.959	14