643	643	810	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Br	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:Br-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(BrOO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H)	Br(C[6a]C[6a]2)(OC)2	C[6a](C[6a]C[6a]H)2(BrOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[6a]2)(OC)2	118.1730	0.380	2	118.1730	0.145	2	118.1730	0.145	2	118.1730	0.145	2	118.1730	0.145	2	118.1730	0.145	2
643	643	811	0:SP2_SP2_SP3	C[3x6a]	C[6a]	B[6,6a,6a]	3:4:3:	3:3:1:	3:3:3:1:	C[3x6a]-3:B[6,6a,6a]-4:C[6a]-3:	C[3x6a]-3:C[6a]-3:H-1:	N[5,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	C[3x6a](C[3x6a]B[6,6a,6a]C[6a])(B[6,6a,6a]N[5,6,6a]2H)(C[6a]C[6a]H)	C[6a](C[3x6a]B[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(H)	B[6,6a,6a](N[5,6,6a]N[5,6,6a]C[5])2(C[3x6a]C[3x6a]C[6a])(H)	C[3x6a](C[3x6a]B[6,6a,6a]C[6a])(B[6,6a,6a]N[5,6,6a]2H)(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[3x6a]B[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,2|H<1>,2|N<3>}	B[6,6a,6a](N[5,6,6a]N[5,6,6a]C[5])2(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,3|H<1>,6|C<3>}	126.4450	0.512	2	126.4450	0.262	2	126.4450	0.262	2	126.4450	0.262	2	127.1230	0.832	9	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[3x6a]	C[6a]	B[6,6a,6a]	4:3:3:	3:3:1:	3:3:3:1:	B[6,6a,6a]-4:C[3x6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:H-1:	N[5a,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	C[3x6a](B[6,6a,6a]N[5a,6,6a]N[5,6,6a]H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[3x6a]B[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(H)	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H)	C[3x6a](B[6,6a,6a]N[5a,6,6a]N[5,6,6a]H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[3x6a]B[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,2|H<1>,2|N<3>}	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	127.2275	0.988	6	127.2275	0.976	6	127.2275	0.976	6	127.3167	0.869	7	127.1230	0.832	9	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[3x6a]	C[6a]	B[6,6a,6a]	4:3:3:	3:3:1:	3:3:3:1:	B[6,6a,6a]-4:C[3x6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:H-1:	N[6,6a,6a]-3:N[6,6a,6a]-3:C[3x6a]-3:H-1:	C[3x6a](B[6,6a,6a]N[6,6a,6a]2H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[3x6a]B[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(H)	B[6,6a,6a](N[6,6a,6a]N[6,6a,6a]C[6a,6a])2(C[3x6a]C[3x6a]C[6a])(H)	C[3x6a](B[6,6a,6a]N[6,6a,6a]2H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[3x6a]B[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,2|H<1>,2|N<3>}	B[6,6a,6a](N[6,6a,6a]N[6,6a,6a]C[6a,6a])2(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,8|C<3>}	127.8520	0.000	1	127.8520	0.000	1	127.8520	0.000	1	127.3167	0.869	7	127.1230	0.832	9	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6,6a]	C[6a]	B[6,6a]	4:3:3:	3:3:1:	3:2:2:3:	B[6,6a]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	C[6,6a](B[6,6a]O[6a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]B[6,6a]C[6,6a])(C[6a]C[6a]H)(H)	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H)	C[6,6a](B[6,6a]O[6a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[6,6a]B[6,6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>,2|O<2>}	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	122.8195	0.643	2	122.8195	0.413	2	122.8195	0.413	2	122.8195	0.413	2	122.6023	0.348	3	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6,6a]	C[6a]	B[6,6a]	4:3:3:	3:3:1:	3:3:2:2:	B[6,6a]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6a]-3:O[6a]-2:O-2:	C[6,6a](B[6,6a]N[6,6a]O[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]B[6,6a]C[6,6a])(C[6a]C[6a]H)(H)	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC)	C[6,6a](B[6,6a]N[6,6a]O[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]B[6,6a]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>,2|O<2>}	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	122.1680	0.000	1	122.1680	0.000	1	122.1680	0.000	1	122.1680	0.000	1	122.6023	0.348	3	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:2:2:	B[6,6,6a]-4:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6,6a]-3:O[6,6]-2:O[6]-2:	C[6a,6a](B[6,6,6a]N[6,6a]O[6,6]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]B[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(H)	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6])	C[6a,6a](B[6,6,6a]N[6,6a]O[6,6]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]B[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	122.9627	0.397	4	122.9627	0.157	4	122.9627	0.157	4	122.9627	0.157	4	122.9627	0.157	4	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	B[6,6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6,6a]-4:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]B[6,6a])(C[6a]C[6a]H)(H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]B[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|O<2>,2|C<4>,2|H<1>,9|C<3>}	122.5147	0.431	4	122.5147	0.186	4	121.2030	4.250	6	121.2030	4.250	6	122.2485	6.922	8	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	B[6,6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6,6a]-4:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]B[6,6a])(C[6a]C[6a]H)(H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]B[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|N<3>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|S<2>,2|C<4>,2|H<1>,9|C<3>}	118.5795	0.210	2	118.5795	0.044	2	121.2030	4.250	6	121.2030	4.250	6	122.2485	6.922	8	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	B[6,6a]	4:3:3:	3:3:1:	3:4:2:2:	B[6,6a]-4:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-4:O[6]-2:O[6]-2:	C[6a,6a](B[6,6a]N[6a]O[6]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]B[6,6a])(C[6a]C[6a]H)(H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6])	C[6a,6a](B[6,6a]N[6a]O[6]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,1|B<4>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]B[6,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,2|C<3>,2|O<2>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6]){1|H<1>,1|N<4>,1|O<2>,5|C<3>}	125.3850	0.984	2	125.3850	0.969	2	125.3850	0.969	2	125.3850	0.969	2	122.2485	6.922	8	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	B[6a,6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6a,6a]-4:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:N[6]-3:	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a]H)(H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2)	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a,6a]B[6a,6a]C[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2){2|O<2>,4|H<1>,8|C<3>}	127.0212	2.412	4	127.0212	5.818	4	127.0212	5.818	4	127.0212	5.818	4	127.0212	5.818	4	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	B[6a]	3:4:3:	3:3:1:	3:3:1:1:	C[3x6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6,6a]-3:F-1:F-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]FF)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]H)(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(F)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]FF)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(F)2{2|H<1>,5|C<3>}	119.4790	0.000	1	119.4790	0.000	1	119.4790	0.000	1	119.4790	0.000	1	121.1038	3.918	14	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	B[6a]	3:4:3:	3:3:1:	3:3:3:3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[5,6a]C[6a]2)(C[6a]C[5,6a]H)	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[5,6a]C[5,6a]2)(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<3>,6|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]2)2{1|H<1>,1|N<2>,4|F<1>,8|C<3>}	117.3430	0.570	2	117.3430	0.325	2	117.3430	0.325	2	118.7940	6.479	3	121.1038	3.918	14	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	B[6a]	3:4:3:	3:3:1:	3:3:3:3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|N<4>,3|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2){1|N<4>,1|O<1>,2|F<1>,3|H<1>,8|C<3>}	121.6960	0.000	1	121.6960	0.000	1	121.6960	0.000	1	118.7940	6.479	3	121.1038	3.918	14	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	B[6a]	3:4:3:	3:3:1:	3:3:4:4:	C[3x6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]H)(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	120.1080	0.000	1	121.6245	1.059	4	121.6245	1.059	4	121.7223	1.395	8	121.1038	3.918	14	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	B[6a]	3:4:3:	3:3:1:	3:3:4:4:	C[3x6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]H)(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{2|H<1>,5|C<3>}	122.1300	0.234	3	121.6245	1.059	4	121.6245	1.059	4	121.7223	1.395	8	121.1038	3.918	14	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	B[6a]	3:4:3:	3:3:1:	3:3:4:4:	C[3x6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]H)(H)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	119.6490	0.000	1	121.8200	2.170	4	121.8200	2.170	4	121.7223	1.395	8	121.1038	3.918	14	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	B[6a]	3:4:3:	3:3:1:	3:3:4:4:	C[3x6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]H)(H)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{2|H<1>,5|C<3>}	122.5437	0.336	3	121.8200	2.170	4	121.8200	2.170	4	121.7223	1.395	8	121.1038	3.918	14	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	B[6a]	3:4:3:	3:3:1:	3:4:3:3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[6a,6a]-3:N[6a]-4:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]F)	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]F)(F)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]HH)(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]F){2|F<1>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]F)(F){1|F<1>,1|N<4>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]HH)(C[6a]C[6a]2)2{10|C<3>,3|F<1>}	122.9070	0.088	2	122.9070	0.008	2	122.9070	0.008	2	122.9070	0.008	2	121.1038	3.918	14	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[3x6a]	4:3:3:	3:3:1:	3:3:3:3:	B[3x6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a]-3:	C[6a](B[3x6a]C[5a,6a,6a]2N[5,6a,6a])(C[6a]C[6a]H)2	C[6a](C[6a]B[3x6a]C[6a])(C[6a]C[6a]H)(H)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)	C[6a](B[3x6a]C[5a,6a,6a]2N[5,6a,6a])(C[6a]C[6a]H)2{2|H<1>,3|N<3>,4|C<3>}	C[6a](C[6a]B[3x6a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]C[5a])(C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,2|N<3>,3|H<1>,7|C<3>}	121.8855	5.768	2	121.8855	33.268	2	121.8855	33.268	2	121.7025	7.353	8	121.7025	7.353	8	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[3x6a]	4:3:3:	3:3:1:	3:3:3:3:	B[3x6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)2	C[6a](C[6a]B[3x6a]C[6a])(C[6a]C[6a]H)(H)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2)	C[6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>,3|N<3>}	C[6a](C[6a]B[3x6a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	121.7945	0.612	2	121.7945	0.374	2	121.7945	0.374	2	121.7025	7.353	8	121.7025	7.353	8	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[3x6a]	4:3:3:	3:3:1:	3:3:3:3:	B[3x6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a,6a]-3:C[5,6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]N[6a,6a])(C[6a]C[6a]H)2	C[6a](C[6a]B[3x6a]C[6a])(C[6a]C[6a]H)(H)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]N[6a,6a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,5|C<3>}	C[6a](C[6a]B[3x6a]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<2>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	121.8385	3.699	2	121.8385	13.682	2	121.8385	13.682	2	121.7025	7.353	8	121.7025	7.353	8	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[3x6a]	4:3:3:	3:3:1:	3:3:3:3:	B[3x6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a,6a]-3:N[5a,6a,6a]-3:C[5,6a,6a]-3:C[6a]-3:	C[6a](B[3x6a]N[5a,6a,6a]2C[5,6a,6a])(C[6a]C[6a]H)2	C[6a](C[6a]B[3x6a]C[6a])(C[6a]C[6a]H)(H)	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2)	C[6a](B[3x6a]N[5a,6a,6a]2C[5,6a,6a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,5|C<3>}	C[6a](C[6a]B[3x6a]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	B[3x6a](N[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(N[5a,6a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]N[5,6a,6a]N[5])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,8|C<3>}	121.2915	1.920	2	121.2915	3.686	2	121.2915	3.686	2	121.7025	7.353	8	121.7025	7.353	8	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:2:3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:N[5a,6,6a]-3:N[6,6]-2:C[6a]-3:	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]N[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]N[6,6])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(N[6,6]C[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	121.9890	0.129	2	121.9890	0.017	2	121.9890	0.017	2	121.6972	0.895	6	122.0372	2.637	32	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:2:3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:N[5a,6,6a]-3:O[6,6]-2:C[6a]-3:	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]O[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]O[6,6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(O[6,6]O[6,6])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	121.5512	1.184	4	121.5512	1.401	4	121.5512	1.401	4	121.6972	0.895	6	122.0372	2.637	32	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	121.6797	1.198	4	121.6797	1.434	4	121.7970	2.539	6	121.7970	2.539	6	122.0372	2.637	32	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]N[6,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,7|C<3>}	122.0315	2.869	2	122.0315	8.230	2	121.7970	2.539	6	121.7970	2.539	6	122.0372	2.637	32	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:4:3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6a](B[6,6,6a]C[5,6,6a]2C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H)	B[6,6,6a](C[5,6,6a]N[5,6,6a]O[5])2(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5,6,6a]2C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|N<3>,2|O<2>,3|H<1>}	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	B[6,6,6a](C[5,6,6a]N[5,6,6a]O[5])2(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,4|C<3>,4|C<4>,4|H<1>}	122.1610	0.940	4	122.1610	0.883	4	122.1610	0.883	4	122.2233	3.867	16	122.0372	2.637	32	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:4:3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,6|C<3>}	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2){10|C<3>,1|B<4>,1|C<4>,1|N<3>,3|H<1>}	122.2830	3.018	4	122.2830	9.110	4	122.2050	5.484	8	122.2233	3.867	16	122.0372	2.637	32	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:4:3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,5|H<1>,7|C<3>}	122.2920	3.243	2	122.2920	10.516	2	122.2050	5.484	8	122.2233	3.867	16	122.0372	2.637	32	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:4:3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H)	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,4|H<1>,6|C<3>}	121.9620	0.622	2	121.9620	0.387	2	122.2050	5.484	8	122.2233	3.867	16	122.0372	2.637	32	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6,6,6a]	4:3:3:	3:3:1:	3:3:4:3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6,6a]-3:N[5,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6a](B[6,6,6a]N[5,6,6a]2C[6,6])(C[6a]C[6a]H)2	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H)	B[6,6,6a](N[5,6,6a]C[5,6,6a]C[5])2(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	C[6a](B[6,6,6a]N[5,6,6a]2C[6,6])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	B[6,6,6a](N[5,6,6a]C[5,6,6a]C[5])2(C[6,6]C[6,6]HH)(C[6a]C[6a]2){1|B<4>,2|O<2>,3|C<3>,3|H<1>,6|C<4>}	122.3222	2.374	4	122.3222	5.636	4	122.3222	5.636	4	122.2233	3.867	16	122.0372	2.637	32	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6,6,6a]	4:3:3:	3:3:1:	4:3:3:3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6a]-3:	C[6a](B[6,6,6a]C[5,6,6a]2C[5,3x6])(C[6a]C[6a]H)2	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H)	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[5,6,6a]N[5,6,6a]O[5])2(C[6a]C[6a]2)	C[6a](B[6,6,6a]C[5,6,6a]2C[5,3x6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|N<3>,2|O<2>,3|H<1>}	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[5,6,6a]N[5,6,6a]O[5])2(C[6a]C[6a]2){1|B<4>,2|C<3>,4|H<1>,7|C<4>}	122.1070	0.509	2	122.1070	0.259	2	122.1070	0.259	2	122.1633	1.634	4	122.0372	2.637	32	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6,6,6a]	4:3:3:	3:3:1:	4:3:3:3:	B[6,6,6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:N[5,6,6a]-3:N[5,6,6a]-3:C[6a]-3:	C[6a](B[6,6,6a]N[5,6,6a]2C[5,3x6])(C[6a]C[6a]H)2	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H)	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(N[5,6,6a]C[5,6,6a]C[5])2(C[6a]C[6a]2)	C[6a](B[6,6,6a]N[5,6,6a]2C[5,3x6])(C[6a]C[6a]H)2{3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	B[6,6,6a](C[5,3x6]C[5,3x6]C[5,5,6]H)(N[5,6,6a]C[5,6,6a]C[5])2(C[6a]C[6a]2){1|B<4>,2|C<3>,2|O<2>,4|H<1>,9|C<4>}	122.2195	2.152	2	122.2195	4.630	2	122.2195	4.630	2	122.1633	1.634	4	122.0372	2.637	32	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6,6a]	4:3:3:	3:3:1:	3:3:2:2:	B[6,6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[6,6a]-3:C[6a]-3:O[6]-2:O[6a]-2:	C[6a](B[6,6a]N[6,6a]O[6a]O[6])(C[6a]C[6a]H)2	C[6a](C[6a]B[6,6a]C[6a])(C[6a]C[6a]H)(H)	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a])	C[6a](B[6,6a]N[6,6a]O[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]B[6,6a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	B[6,6a](N[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6a]C[6a]){1|O<1>,3|H<1>,6|C<3>}	121.7528	1.722	6	121.7528	2.964	6	121.7528	2.964	6	121.7528	2.964	6	121.7528	2.964	6	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:2:2:2:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6a]-2:O[6a]-2:O-2:	C[6a](B[6a]O[6a]2O)(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(ON)	C[6a](B[6a]O[6a]2O)(C[6a]C[6a]H)2{1|C<3>,2|B<3>,2|H<1>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|O<2>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(ON){1|O<2>,2|H<1>,4|C<3>}	121.8705	0.098	2	121.8705	0.010	2	121.8705	0.010	2	121.8705	0.010	2	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:2:2:3:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	C[6a](B[6a]O[6a]2N[6])(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(N[6]C[6]2)	C[6a](B[6a]O[6a]2N[6])(C[6a]C[6a]H)2{2|B<3>,2|H<1>,3|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|O<2>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(N[6]C[6]2){1|O<2>,4|H<1>,6|C<3>}	121.9190	0.178	2	121.9190	0.032	2	121.9190	0.032	2	121.9190	0.032	2	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:2:2:4:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6a]-2:O[6a]-2:N-4:	C[6a](B[6a]O[6a]2N)(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]F)(H)	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH)	C[6a](B[6a]O[6a]2N)(C[6a]C[6a]H)2{1|C<3>,2|B<3>,2|F<1>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>,1|N<4>,2|O<2>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH){1|O<2>,2|H<1>,4|C<3>}	120.8010	1.129	2	120.8010	1.274	2	121.2774	0.783	5	121.2774	0.783	5	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:2:2:4:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6a]-2:O[6a]-2:N-4:	C[6a](B[6a]O[6a]2N)(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH)	C[6a](B[6a]O[6a]2N)(C[6a]C[6a]H)2{1|C<3>,2|B<3>,2|H<1>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|H<1>,2|O<2>}	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2(NCHH){1|O<2>,2|H<1>,4|C<3>}	121.5950	0.742	3	121.5950	0.551	3	121.2774	0.783	5	121.2774	0.783	5	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:2:2:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:O[6a]-2:O[6a]-2:	C[6a](B[6a]O[6a]2N[5])(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2N[5])(C[6a]C[6a]H)2{1|N<3>,2|B<3>,2|C<3>,2|H<1>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	B[6a](N[5]C[5]N[5])(C[6a]C[6a]2)(O[6a]B[6a])2{1|O<2>,4|H<1>,6|C<3>}	121.4260	0.387	2	121.4260	0.150	2	121.4260	0.150	2	121.4260	0.150	2	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:1:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:Cl-1:	C[6a](B[6a]C[5a,6a]2Cl)(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])2(C[6a]C[6a]2)(Cl)	C[6a](B[6a]C[5a,6a]2Cl)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|N<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,3|C<3>}	B[6a](C[5a,6a]N[5a,6a]N[5a])2(C[6a]C[6a]2)(Cl){1|B<4>,2|H<1>,8|C<3>}	121.1435	2.713	2	121.1435	7.361	2	121.1435	7.361	2	121.5343	4.061	12	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:1:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	C[6a](B[6a]C[5a,6a]N[5a,6a]Cl)(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	C[6a](B[6a]C[5a,6a]N[5a,6a]Cl)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	121.5560	4.373	2	121.4663	10.200	4	121.4663	10.200	4	121.5343	4.061	12	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:1:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:Cl-1:	C[6a](B[6a]C[5a,6a]N[5a,6a]Cl)(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl)	C[6a](B[6a]C[5a,6a]N[5a,6a]Cl)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(Cl){1|B<4>,1|N<3>,2|H<1>,7|C<3>}	121.3765	3.384	2	121.4663	10.200	4	121.4663	10.200	4	121.5343	4.061	12	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:1:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:H-1:	C[6a](B[6a]C[5a,6a]N[5a,6a]H)(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](B[6a]C[5a,6a]N[5a,6a]H)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	121.7643	0.729	4	121.7643	0.531	4	121.7643	0.531	4	121.5343	4.061	12	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:1:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:F-1:	C[6a](B[6a]N[5a,6a]2F)(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(F)	C[6a](B[6a]N[5a,6a]2F)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|H<1>,2|N<3>}	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)(F){1|B<4>,2|H<1>,2|N<3>,6|C<3>}	121.6015	2.138	2	121.6015	4.569	2	121.6015	4.569	2	121.5343	4.061	12	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:2:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N[6a]-3:N[6a]-3:N-2:	C[6a](B[6a]N[6a]2N)(C[6a]C[6a]F)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]F)(F)	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN)	C[6a](B[6a]N[6a]2N)(C[6a]C[6a]F)2{1|C<3>,2|B<4>,2|F<1>,2|N<2>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]F)(F){1|C<3>,1|N<2>,2|F<1>,2|N<3>}	B[6a](C[6a]C[6a]2)(N[6a]B[6a]N)2(NN){1|N<3>,2|F<1>,2|N<2>,4|C<3>}	123.0167	4.004	6	123.0167	16.032	6	123.0167	16.032	6	122.0791	4.877	20	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:2:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5])	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[5]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	121.6155	0.852	2	121.6155	0.726	2	121.6772	0.383	14	122.0791	4.877	20	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:2:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a])	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(OB[6a]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	121.6261	0.562	8	121.6261	0.316	8	121.6772	0.383	14	122.0791	4.877	20	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:2:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:O-2:	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6])	C[6a](B[6a]C[5a,6a]N[5a,6a]O)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(ON[6]){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	121.8102	0.803	4	121.8102	0.646	4	121.6772	0.383	14	122.0791	4.877	20	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:N[6a]-3:	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]F)(F)	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2)	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]F)(F){1|N<3>,2|F<1>,3|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2){1|N<4>,1|O<1>,2|F<1>,3|H<1>,8|C<3>}	122.9130	3.842	2	122.9130	14.764	2	122.9130	14.764	2	122.3989	6.001	27	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](B[6a]C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]F)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]F)(F)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]2)2	C[6a](B[6a]C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]F)2{1|S<2>,2|F<1>,6|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]F)(F){1|N<3>,2|F<1>,3|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]2)2{1|H<1>,1|N<2>,4|F<1>,8|C<3>}	123.4994	2.435	7	123.4994	5.930	7	123.4994	5.930	7	122.3989	6.001	27	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:B[5]-3:	C[6a](B[6a]C[5a,6a]N[5a,6a]B[5])(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2)	C[6a](B[6a]C[5a,6a]N[5a,6a]B[5])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){1|B<3>,1|N<3>,2|C<3>,2|H<1>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(B[5]O[5]2){1|B<4>,1|N<3>,3|C<4>,3|H<1>,5|C<3>}	122.2930	2.594	2	122.2930	6.727	2	122.2930	6.727	2	122.3989	6.001	27	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:P-3:	C[6a](B[6a]C[5a,6a]N[5a,6a]P)(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2)	C[6a](B[6a]C[5a,6a]N[5a,6a]P)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,1|P<3>,2|C<3>,2|H<1>}	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(PC[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	121.9565	5.354	2	121.9565	28.660	2	121.9565	28.660	2	122.3989	6.001	27	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:N[6a]-3:	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2)	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2){1|N<4>,1|O<1>,2|F<1>,3|H<1>,8|C<3>}	121.8240	3.362	2	121.8240	11.300	2	121.8240	11.300	2	122.3989	6.001	27	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5,6a]-3:N[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a](B[6a]N[5,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](N[5,6a]C[5,6a]C[5])2(C[6a]C[6a]2)2	C[6a](B[6a]N[5,6a]2C[6a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	B[6a](N[5,6a]C[5,6a]C[5])2(C[6a]C[6a]2)2{1|B<4>,2|O<2>,4|C<3>,4|H<1>,6|C<4>}	121.8113	1.694	8	121.8113	2.870	8	121.8113	2.870	8	122.3989	6.001	27	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:3:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](B[6a]N[5a,6a]2C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)2	C[6a](B[6a]N[5a,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	B[6a](N[5a,6a]C[5a,6a]C[5a])2(C[6a]C[6a]2)2{1|Ge<3>,2|N<3>,6|C<3>,6|H<1>}	121.9528	2.902	4	121.9528	8.422	4	121.9528	8.422	4	122.3989	6.001	27	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:3:3:4:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[6a](B[6a]C[5,6a]2C)(C[6a]C[6a]H)2	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H)	B[6a](C[5,6a]N[5,6a]O[5])2(C[6a]C[6a]2)(CH3)	C[6a](B[6a]C[5,6a]2C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	B[6a](C[5,6a]N[5,6a]O[5])2(C[6a]C[6a]2)(CH3){1|B<4>,2|C<3>,2|H<1>,4|C<4>}	121.8877	0.801	4	121.8877	0.641	4	121.8877	0.641	4	121.8877	0.641	4	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:1:	3:4:3:3:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a,6a]-3:N[6a]-4:C[6a]-3:C[6a]-3:	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]F)	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]F)(F)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]HH)(C[6a]C[6a]2)2	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]F){2|F<1>,2|H<1>,8|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]F)(F){1|F<1>,1|N<4>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]HH)(C[6a]C[6a]2)2{10|C<3>,3|F<1>}	116.7775	0.936	4	116.7775	0.876	4	116.7775	0.876	4	116.7775	0.876	4	122.1079	7.757	82	122.3968	7.277	170
643	643	811	0:SP2_SP2_SP3	C[6a]	C[6a]	B[6a]	4:3:3:	3:3:3:	3:4:3:3:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-4:C[6a]-3:C[6a]-3:	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]F)	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]F)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]HH)(C[6a]C[6a]2)2	C[6a](B[6a]C[6a,6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6a]C[6a]F){2|F<1>,2|H<1>,8|C<3>}	C[6a](C[6a]B[6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]F){1|N<4>,4|F<1>,5|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]HH)(C[6a]C[6a]2)2{10|C<3>,3|F<1>}	129.1507	1.153	4	129.1507	1.329	4	129.1507	1.329	4	129.1507	1.329	4	122.1079	7.757	82	122.3968	7.277	170
643	643	811	6:SP2_SP2_SP3	C[3x6a]	C[3x6a]	B[6,6a,6a]	3:4:3:	3:4:3:	3:3:3:1:	C[3x6a]-3:B[6,6a,6a]-4:C[6a]-3:	C[3x6a]-3:B[6,6a,6a]-4:C[6a]-3:	N[5,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	C[3x6a](C[3x6a]B[6,6a,6a]C[6a])(B[6,6a,6a]N[5,6,6a]2H)(C[6a]C[6a]H)	C[3x6a](C[3x6a]B[6,6a,6a]C[6a])(B[6,6a,6a]N[5,6,6a]2H)(C[6a]C[6a]H)	B[6,6a,6a](N[5,6,6a]N[5,6,6a]C[5])2(C[3x6a]C[3x6a]C[6a])(H)	C[3x6a](C[3x6a]B[6,6a,6a]C[6a])(B[6,6a,6a]N[5,6,6a]2H)(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[3x6a](C[3x6a]B[6,6a,6a]C[6a])(B[6,6a,6a]N[5,6,6a]2H)(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	B[6,6a,6a](N[5,6,6a]N[5,6,6a]C[5])2(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,3|H<1>,6|C<3>}	113.9075	0.054	2	113.9075	0.003	2	113.9075	0.003	2	113.9075	0.003	2	113.3989	0.488	9	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[3x6a]	C[3x6a]	B[6,6a,6a]	4:3:3:	4:3:3:	3:3:3:1:	B[6,6a,6a]-4:C[3x6a]-3:C[6a]-3:	B[6,6a,6a]-4:C[3x6a]-3:C[6a]-3:	N[5a,6,6a]-3:N[5,6,6a]-3:C[3x6a]-3:H-1:	C[3x6a](B[6,6a,6a]N[5a,6,6a]N[5,6,6a]H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)	C[3x6a](B[6,6a,6a]N[5a,6,6a]N[5,6,6a]H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H)	C[3x6a](B[6,6a,6a]N[5a,6,6a]N[5,6,6a]H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[3x6a](B[6,6a,6a]N[5a,6,6a]N[5,6,6a]H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	B[6,6a,6a](N[5a,6,6a]N[5a,6,6a]C[5a])(N[5,6,6a]N[5,6,6a]C[5])(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	113.3993	0.685	6	113.3993	0.469	6	113.3993	0.469	6	113.2536	0.540	7	113.3989	0.488	9	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[3x6a]	C[3x6a]	B[6,6a,6a]	4:3:3:	4:3:3:	3:3:3:1:	B[6,6a,6a]-4:C[3x6a]-3:C[6a]-3:	B[6,6a,6a]-4:C[3x6a]-3:C[6a]-3:	N[6,6a,6a]-3:N[6,6a,6a]-3:C[3x6a]-3:H-1:	C[3x6a](B[6,6a,6a]N[6,6a,6a]2H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)	C[3x6a](B[6,6a,6a]N[6,6a,6a]2H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H)	B[6,6a,6a](N[6,6a,6a]N[6,6a,6a]C[6a,6a])2(C[3x6a]C[3x6a]C[6a])(H)	C[3x6a](B[6,6a,6a]N[6,6a,6a]2H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	C[3x6a](B[6,6a,6a]N[6,6a,6a]2H)(C[3x6a]B[6,6a,6a]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	B[6,6a,6a](N[6,6a,6a]N[6,6a,6a]C[6a,6a])2(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,8|C<3>}	112.3790	0.000	1	112.3790	0.000	1	112.3790	0.000	1	113.2536	0.540	7	113.3989	0.488	9	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[3x6a]	C[6a,6a]	B[3x6a]	4:3:3:	3:2:3:	3:3:3:3:	B[3x6a]-4:C[6a,6a]-3:C[6a,6a]-3:	C[3x6a]-3:O[6a]-2:C[6a]-3:	C[3x6a]-3:C[3x6a]-3:C[3x6a]-3:N[6]-3:	C[3x6a](B[3x6a]C[3x6a]2N[6])(C[6a,6a]C[6a]O[6a])2	C[6a,6a](C[3x6a]C[6a,6a]B[3x6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	B[3x6a](C[3x6a]C[6a,6a]2)3(N[6]C[6]2)	C[3x6a](B[3x6a]C[3x6a]2N[6])(C[6a,6a]C[6a]O[6a])2{2|H<1>,7|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]B[3x6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	B[3x6a](C[3x6a]C[6a,6a]2)3(N[6]C[6]2){2|H<1>,3|O<2>,8|C<3>}	120.4722	0.186	12	120.4722	0.035	12	120.4722	0.035	12	120.4722	0.035	12	120.4722	0.035	12	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[3x6a]	C[6a,6a]	B[6a,6a]	4:3:3:	3:2:3:	3:3:3:3:	B[6a,6a]-4:C[6a,6a]-3:C[6a,6a]-3:	C[3x6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:N[6]-3:	C[3x6a](B[6a,6a]C[6a,6a]2N[6])(C[6a,6a]C[6a]O[6a])2	C[6a,6a](C[3x6a]B[6a,6a]C[6a,6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2)	C[3x6a](B[6a,6a]C[6a,6a]2N[6])(C[6a,6a]C[6a]O[6a])2{1|Ir<6>,1|H<1>,7|C<3>}	C[6a,6a](C[3x6a]B[6a,6a]C[6a,6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,5|C<3>}	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2){2|O<2>,4|H<1>,8|C<3>}	119.1060	1.000	2	119.1060	1.000	2	121.7990	10.018	4	121.7990	10.018	4	121.7990	10.018	4	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[3x6a]	C[6a,6a]	B[6a,6a]	4:3:3:	3:2:3:	3:3:3:3:	B[6a,6a]-4:C[6a,6a]-3:C[6a,6a]-3:	C[3x6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:N[6]-3:	C[3x6a](B[6a,6a]C[6a,6a]2N[6])(C[6a,6a]C[6a]O[6a])2	C[6a,6a](C[3x6a]B[6a,6a]C[6a,6a])(O[6a]C[6a,6a])(C[6a]C[6a]Ir)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2)	C[3x6a](B[6a,6a]C[6a,6a]2N[6])(C[6a,6a]C[6a]O[6a])2{1|Ir<6>,1|H<1>,7|C<3>}	C[6a,6a](C[3x6a]B[6a,6a]C[6a,6a])(O[6a]C[6a,6a])(C[6a]C[6a]Ir){1|N<3>,1|O<2>,5|C<3>}	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2){2|O<2>,4|H<1>,8|C<3>}	124.4920	0.215	2	124.4920	0.046	2	121.7990	10.018	4	121.7990	10.018	4	121.7990	10.018	4	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	B[6,6a]	4:3:3:	3:3:3:	3:2:2:3:	B[6,6a]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:O[6a]-2:O[6a]-2:N[6]-3:	C[6,6a](B[6,6a]O[6a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H)	C[6,6a](B[6,6a]O[6a]2N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|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>}	B[6,6a](C[6,6a]C[6,6a]C[6a])(O[6a]C[6a,6a])(O[6a]C[6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	120.8490	0.236	2	120.8490	0.056	2	120.8490	0.056	2	120.8490	0.056	2	121.1143	0.239	3	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	B[6,6a]	4:3:3:	3:3:3:	3:3:2:2:	B[6,6a]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6,6a]-3:O[6a]-2:O-2:	C[6,6a](B[6,6a]N[6,6a]O[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC)	C[6,6a](B[6,6a]N[6,6a]O[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	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>}	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	121.6450	0.000	1	121.6450	0.000	1	121.6450	0.000	1	121.6450	0.000	1	121.1143	0.239	3	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[6a,6a]	C[3x6a]	B[6a]	3:4:3:	3:3:3:	3:3:1:1:	C[3x6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6,6a]-3:F-1:F-1:	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]FF)(C[6a]C[6a]H)	C[3x6a](C[6a,6a]C[6,6a]C[6a])(C[6a,6a]B[6a]C[6a])(C[6a,6a]C[6a]2)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(F)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]FF)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6,6a]C[6a])(C[6a,6a]B[6a]C[6a])(C[6a,6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,4|H<1>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(F)2{2|H<1>,5|C<3>}	121.5980	0.000	1	121.5980	0.000	1	121.5980	0.000	1	121.5980	0.000	1	120.8737	2.963	9	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[6a,6a]	C[3x6a]	B[6a]	3:4:3:	3:3:3:	3:3:4:4:	C[3x6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H)	C[3x6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]B[6a]C[6a])	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]B[6a]C[6a]){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	123.0770	0.000	1	120.9410	2.552	4	120.9410	2.552	4	120.7831	3.302	8	120.8737	2.963	9	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[6a,6a]	C[3x6a]	B[6a]	3:4:3:	3:3:3:	3:3:4:4:	C[3x6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6,6a]-3:C-4:C-4:	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H)	C[3x6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]B[6a]C[6a])	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]B[6a]C[6a]){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6,6a]C[6,6a]C[6])(CCHH)2{2|H<1>,5|C<3>}	120.2290	0.887	3	120.9410	2.552	4	120.9410	2.552	4	120.7831	3.302	8	120.8737	2.963	9	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[6a,6a]	C[3x6a]	B[6a]	3:4:3:	3:3:3:	3:3:4:4:	C[3x6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]B[6a]C[6a])(C[6a,6a]C[6a,6a]2)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]B[6a]C[6a])(C[6a,6a]C[6a,6a]2){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{1|C<4>,1|H<1>,5|C<3>}	123.8750	0.000	1	120.6252	5.087	4	120.6252	5.087	4	120.7831	3.302	8	120.8737	2.963	9	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[6a,6a]	C[3x6a]	B[6a]	3:4:3:	3:3:3:	3:3:4:4:	C[3x6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C-4:C-4:	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]B[6a]C[6a])(C[6a,6a]C[6a,6a]2)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]N[6a,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]B[6a]C[6a])(C[6a,6a]C[6a,6a]2){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CCHH)2{2|H<1>,5|C<3>}	119.5420	0.768	3	120.6252	5.087	4	120.6252	5.087	4	120.7831	3.302	8	120.8737	2.963	9	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[6a,6a]	C[6a,6a]	B[6,6,6a]	4:3:3:	3:3:3:	3:3:2:2:	B[6,6,6a]-4:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6,6a]-3:O[6,6]-2:O[6]-2:	C[6a,6a](B[6,6,6a]N[6,6a]O[6,6]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6])	C[6a,6a](B[6,6,6a]N[6,6a]O[6,6]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]B[6,6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	119.0343	0.340	4	119.0343	0.116	4	119.0343	0.116	4	119.0343	0.116	4	119.0343	0.116	4	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[6a,6a]	C[6a,6a]	B[6,6a]	4:3:3:	3:2:3:	3:3:3:3:	B[6,6a]-4:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6,6a]C[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]B[6,6a]C[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|O<2>,2|C<4>,2|H<1>,9|C<3>}	121.4320	0.212	4	121.4320	0.045	4	121.4320	0.045	4	122.7035	3.908	6	121.6715	6.482	8	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[6a,6a]	C[6a,6a]	B[6,6a]	4:3:3:	3:2:3:	3:3:3:3:	B[6,6a]-4:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[5a,6]-3:N[5a,6]-3:	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[6a,6a](B[6,6a]C[6a,6a]N[5a,6]2)(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]B[6,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{1|S<2>,2|C<4>,2|H<1>,9|C<3>}	125.2465	0.057	2	125.2465	0.003	2	125.2465	0.003	2	122.7035	3.908	6	121.6715	6.482	8	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[6a,6a]	C[6a,6a]	B[6,6a]	4:3:3:	3:3:3:	3:4:2:2:	B[6,6a]-4:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-4:O[6]-2:O[6]-2:	C[6a,6a](B[6,6a]N[6a]O[6]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6])	C[6a,6a](B[6,6a]N[6a]O[6]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,1|B<4>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6a,6a](C[6a,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<4>,2|H<1>,2|O<2>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]CC)(O[6]B[6,6a])(O[6]B[6]){1|H<1>,1|N<4>,1|O<2>,5|C<3>}	118.5755	0.523	2	118.5755	0.273	2	118.5755	0.273	2	118.5755	0.273	2	121.6715	6.482	8	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[6a,6a]	C[6a,6a]	B[6a,6a]	4:3:3:	3:2:3:	3:3:3:3:	B[6a,6a]-4:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:N[6]-3:	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6a,6a]C[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2)	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]B[6a,6a]C[6a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)(N[6]C[6]2){2|O<2>,4|H<1>,8|C<3>}	117.7712	1.112	4	117.7712	1.235	4	117.7712	1.235	4	117.7712	1.235	4	117.7712	1.235	4	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[6a,6a]	C[6a,6a]	B[6a]	3:4:3:	3:3:3:	3:3:3:3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[5,6a]C[6a]2)(C[6a]C[5,6a]H)	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]B[6a]C[6a])(C[6a]C[5,6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,8|C<3>}	C[6a,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a,6a]B[6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]2)2{1|H<1>,1|N<2>,4|F<1>,8|C<3>}	124.7000	0.137	2	124.7000	0.019	2	124.7000	0.019	2	124.7000	0.019	2	122.2808	6.117	5	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[6a,6a]	C[6a,6a]	B[6a]	3:4:3:	3:3:3:	3:4:3:3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-4:C[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]B[6a]C[6a])(C[6a]C[6a]F)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]HH)(C[6a]C[6a]2)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]F){2|F<1>,2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]B[6a]C[6a])(C[6a]C[6a]F){1|N<4>,3|F<1>,5|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]HH)(C[6a]C[6a]2)2{10|C<3>,3|F<1>}	119.7615	0.094	2	119.7615	0.009	2	119.7615	0.009	2	119.7615	0.009	2	122.2808	6.117	5	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[6a,6a]	C[6a,6a]	B[6a]	3:4:3:	3:4:3:	3:3:3:3:	C[6a,6a]-3:B[6a]-4:C[6a]-3:	C[6a,6a]-3:N[6a]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a]CC)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]2N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a]CC)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2(N[6a]C[6a]2){1|N<4>,1|O<1>,2|F<1>,3|H<1>,8|C<3>}	122.4810	0.000	1	122.4810	0.000	1	122.4810	0.000	1	122.4810	0.000	1	122.2808	6.117	5	119.4215	12.403	59
643	643	811	6:SP2_SP2_SP3	C[6a]	C[6a,6a]	B[6,6,6a]	4:3:3:	3:3:3:	3:3:4:4:	B[6,6,6a]-4:C[6a,6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6,6]-4:C[6,6]-4:	C[6a](B[6,6,6a]N[6a,6a]C[6,6]2)(C[6a,6a]C[6a,6a]C[6a])(CCH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]B[6,6,6a]C)(C[6a]C[6a]H)	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2	C[6a](B[6,6,6a]N[6a,6a]C[6,6]2)(C[6a,6a]C[6a,6a]C[6a])(CCH){3|H<1>,4|C<3>,4|C<4>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]B[6,6,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	119.4215	12.403	59
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	122.2193	0.113	4	122.0463	0.068	7	122.0463	0.068	7	122.0463	0.068	7	122.0463	0.068	7	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	121.8157	0.213	3	122.0463	0.068	7	122.0463	0.068	7	122.0463	0.068	7	122.0463	0.068	7	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[5a,6](C[6,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6]){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[5a,6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[5a,6](C[6,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6]){1|N<2>,2|H<1>,5|C<3>}	122.9550	0.000	1	122.9550	0.000	1	122.9550	0.000	1	122.9550	0.000	1	122.9550	0.000	1	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:2:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6a]N[6])(C[6a]N[6a]Cl)	C[6a](C[6,6a]C[6,6a]N[5a,6])(N[6a]C[6a])(Cl)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|N<3>,2|N<2>,3|H<1>}	127.3440	0.000	1	127.3440	0.000	1	127.3440	0.000	1	127.3440	0.000	1	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a,6a]H)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	118.8450	0.000	1	118.8450	0.000	1	118.8450	0.000	1	121.7303	1.925	15	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){2|C<4>,2|H<1>,4|C<3>}	121.4980	0.000	1	121.4980	0.000	1	121.7800	0.578	6	121.7303	1.925	15	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,3|H<1>,4|C<3>}	121.4100	0.000	1	121.5177	0.327	3	121.7800	0.578	6	121.7303	1.925	15	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	122.1360	0.000	1	121.5177	0.327	3	121.7800	0.578	6	121.7303	1.925	15	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	121.0070	0.000	1	121.5177	0.327	3	121.7800	0.578	6	121.7303	1.925	15	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	123.1450	0.000	1	123.1450	0.000	1	121.7800	0.578	6	121.7303	1.925	15	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]C)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	121.4840	0.000	1	121.4840	0.000	1	121.7800	0.578	6	121.7303	1.925	15	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]N[5a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	122.4410	0.000	1	122.4410	0.000	1	122.0537	2.125	8	121.7303	1.925	15	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	122.0500	0.000	1	122.0500	0.000	1	122.0537	2.125	8	121.7303	1.925	15	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]S[6])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]S[6])(N[5a]N[5a]){1|H<1>,3|C<3>}	119.3030	0.000	1	119.3030	0.000	1	122.0537	2.125	8	121.7303	1.925	15	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]O)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	124.1570	0.000	1	124.1570	0.000	1	122.0537	2.125	8	121.7303	1.925	15	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]){1|O<2>,3|H<1>,4|C<3>}	122.2060	0.000	1	122.2060	0.000	1	122.0537	2.125	8	121.7303	1.925	15	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	123.4340	0.000	1	123.4340	0.000	1	122.0537	2.125	8	121.7303	1.925	15	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]C)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	121.4490	0.000	1	121.4195	0.002	2	122.0537	2.125	8	121.7303	1.925	15	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]C)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	121.3900	0.000	1	121.4195	0.002	2	122.0537	2.125	8	121.7303	1.925	15	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]Pd)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]H){1|Pd<7>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]Pd){1|H<1>,5|C<3>}	120.2570	0.000	1	120.2570	0.000	1	120.2570	0.000	1	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5a,6]C[5a,6]2)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6]C[5a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5a,6]C[5a,6]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6]C[5a]C[6]){3|C<3>,3|C<4>,3|H<1>}	122.2160	0.000	1	122.2160	0.000	1	122.2160	0.000	1	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	121.2670	0.000	1	121.2670	0.000	1	120.3385	1.724	2	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|Si<4>,2|H<1>,6|C<3>}	119.4100	0.000	1	119.4100	0.000	1	120.3385	1.724	2	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a])	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	120.9160	0.000	1	120.9160	0.000	1	120.9160	0.000	1	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]C)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a]){2|H<1>,2|N<3>,6|C<3>}	122.8790	0.000	1	122.8790	0.000	1	122.8790	0.000	1	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){2|C<4>,3|H<1>,5|C<3>}	121.1670	0.000	1	121.1670	0.000	1	122.7906	2.459	10	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6]){1|C<4>,3|H<1>,5|C<3>}	123.5380	0.000	1	123.5380	0.000	1	122.7906	2.459	10	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]Si[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]Si[6]){2|H<1>,3|C<4>,5|C<3>}	118.9980	0.000	1	118.9980	0.000	1	122.7906	2.459	10	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	123.9650	0.284	2	123.9650	0.081	2	122.7906	2.459	10	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	123.4700	0.445	2	123.4700	0.198	2	122.7906	2.459	10	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[3,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[3,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	122.7580	0.000	1	122.7580	0.000	1	122.7906	2.459	10	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	123.2875	0.313	2	123.2875	0.098	2	122.7906	2.459	10	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]N[5a])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]N[5a])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	121.5830	0.000	1	121.5830	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	121.9935	0.086	2	121.9935	0.007	2	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5,6]C[5a])(C[5a]N[5a]H){1|C<4>,1|H<1>,4|C<3>}	121.3275	0.199	2	121.3275	0.039	2	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,5a]C[6])(C[5a]C[5,5a]C)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,5a]C[6])(C[5a]C[5,5a]C){2|H<1>,5|C<3>}	123.2240	0.000	1	123.2240	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	122.1260	0.000	1	122.1260	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|Si<4>,3|C<3>,3|H<1>}	121.7140	0.000	1	121.7140	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]S[6])(C[5a]N[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]S[6])(C[5a]N[5a]H){1|H<1>,4|C<3>}	119.7090	0.000	1	119.7090	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	119.9460	0.000	1	119.9460	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]C)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,3|C<3>}	122.6400	0.000	1	122.6400	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]N)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,3|N<2>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]N){1|C<4>,1|H<1>,3|C<3>}	122.9190	0.000	1	122.9190	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]N[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]N[6a]H)(H){4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H){1|H<1>,6|C<3>}	121.8410	0.000	1	121.8410	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]N[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]N[6a]H)(H){4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	121.2430	0.000	1	121.2430	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]Br)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	123.5095	0.056	2	123.5095	0.003	2	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,3|H<1>,4|C<3>}	122.6500	0.000	1	122.6500	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	122.7760	0.000	1	122.5362	0.164	9	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	122.9030	0.000	1	122.5362	0.164	9	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	122.6050	0.000	1	122.5362	0.164	9	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	122.4757	0.567	4	122.5362	0.164	9	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.1760	0.000	1	122.5362	0.164	9	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	122.4630	0.000	1	122.5362	0.164	9	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]S)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]S){1|N<2>,2|C<3>,4|H<1>}	123.7515	0.462	2	123.7515	0.213	2	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	122.0620	0.000	1	122.0620	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]N)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|N<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O){1|O<2>,2|C<3>,4|H<1>}	122.3840	0.000	1	122.5755	0.073	2	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]N)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|N<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O){1|O<2>,3|C<3>,3|H<1>}	122.7670	0.000	1	122.5755	0.073	2	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|S<2>,3|H<1>,6|C<3>}	121.6510	0.000	1	121.6510	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	121.1420	0.000	1	120.9913	0.024	3	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O){1|S<2>,2|C<3>,4|H<1>}	120.9160	0.115	2	120.9913	0.024	3	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]C)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	122.3710	0.000	1	122.3710	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){2|C<3>,2|N<3>,4|H<1>}	125.0610	0.000	1	125.0610	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]N[5a])(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.6530	0.000	1	120.6530	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	121.9820	0.000	1	121.9820	0.000	1	122.1921	1.135	39	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	121.0350	0.000	1	121.0350	0.000	1	121.0350	0.000	1	122.1674	1.538	56	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:B[5a]-4:	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF)	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF){1|N<2>,2|H<1>,4|C<3>}	121.1790	0.000	1	121.1790	0.000	1	121.5350	0.253	2	121.5350	0.253	2	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:B[5a]-4:	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF)	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF){1|H<1>,1|N<2>,5|C<3>}	121.8910	0.000	1	121.8910	0.000	1	121.5350	0.253	2	121.5350	0.253	2	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]2)(OPd)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]2)(OPd){1|H<1>,6|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd){1|O<2>,2|H<1>,4|C<3>}	122.1830	0.000	1	122.1830	0.000	1	121.6677	0.206	3	121.6677	0.206	3	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(OPd)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(OPd){1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd){1|O<2>,2|H<1>,4|C<3>}	121.4100	0.119	2	121.4100	0.014	2	121.6677	0.206	3	121.6677	0.206	3	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(OPd2)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(OPd2){1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd){1|O<3>,2|H<1>,4|C<3>}	122.2100	0.000	1	122.2100	0.000	1	122.2100	0.000	1	122.2100	0.000	1	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:B[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]B[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(CCCH)	N[5a,6](C[6,6a]C[6,6a]C[6a])(B[5a,6]N[5a]Si[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]B[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|Si<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(B[5a,6]N[5a]Si[6])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.9690	0.000	1	119.9690	0.000	1	119.9690	0.000	1	119.9690	0.000	1	122.0877	1.894	79	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|N<2>,2|H<1>,5|C<3>}	123.3120	0.000	1	123.3120	0.000	1	123.0075	0.185	2	122.9283	0.081	4	122.9283	0.081	4	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	122.7030	0.000	1	122.7030	0.000	1	123.0075	0.185	2	122.9283	0.081	4	122.9283	0.081	4	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,5|C<3>}	122.8490	0.177	2	122.8490	0.031	2	122.8490	0.031	2	122.9283	0.081	4	122.9283	0.081	4	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(N[5]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<2>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(N[5]C[5]){1|Cd<6>,1|N<2>,2|C<3>,2|H<1>}	123.9650	0.000	1	124.0530	0.015	2	124.0530	0.015	2	124.0530	0.015	2	122.4929	1.220	16	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(N[5]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<2>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(N[5]C[5]){1|Mn<6>,1|N<2>,2|C<3>,2|H<1>}	124.1410	0.000	1	124.0530	0.015	2	124.0530	0.015	2	124.0530	0.015	2	122.4929	1.220	16	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a,6a]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]H){1|N<2>,2|C<3>,2|H<1>}	122.0550	0.000	2	122.0550	0.000	2	122.0550	0.000	2	122.5467	0.675	11	122.4929	1.220	16	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a](N[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])	C[6a,6a](N[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5]){2|H<1>,7|C<3>}	123.7460	0.000	1	123.7460	0.000	1	123.7460	0.000	1	122.5467	0.675	11	122.4929	1.220	16	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]Rh)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Rh<6>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]Rh){1|C<4>,3|C<3>,3|H<1>}	122.0703	1.065	3	122.0703	1.135	3	122.5198	0.689	8	122.5467	0.675	11	122.4929	1.220	16	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]N[5]Rh)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Rh<6>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]N[5]Rh){2|H<1>,4|C<3>}	122.0460	0.000	1	122.0460	0.000	1	122.5198	0.689	8	122.5467	0.675	11	122.4929	1.220	16	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]2)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	123.3995	0.408	2	123.3995	0.166	2	122.5198	0.689	8	122.5467	0.675	11	122.4929	1.220	16	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C){1|C<4>,1|H<1>,4|C<3>}	122.5110	0.000	1	122.5510	0.003	2	122.5198	0.689	8	122.5467	0.675	11	122.4929	1.220	16	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C){1|C<4>,1|H<1>,4|C<3>}	122.5910	0.000	1	122.5510	0.003	2	122.5198	0.689	8	122.5467	0.675	11	122.4929	1.220	16	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	120.3920	0.000	1	120.3920	0.000	1	120.3920	0.000	1	120.6995	0.189	2	122.4929	1.220	16	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a,6a](N[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[6a,6a](N[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	121.0070	0.000	1	121.0070	0.000	1	121.0070	0.000	1	120.6995	0.189	2	122.4929	1.220	16	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:2:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(OPd)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]Pd)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(OPd){1|H<1>,4|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]Pd){1|O<2>,2|H<1>,4|C<3>}	122.3670	0.000	1	122.3670	0.000	1	122.3670	0.000	1	122.3670	0.000	1	122.4929	1.220	16	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[5]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[5])	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[5]C[5]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[5]C[5]2){2|C<3>,2|C<4>,2|N<2>,5|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	125.5480	0.000	1	125.5480	0.000	1	125.5480	0.000	1	125.6860	0.038	2	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[6])	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[6]C[6]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,2|N<2>,5|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	125.8240	0.000	1	125.8240	0.000	1	125.8240	0.000	1	125.6860	0.038	2	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	121.3750	0.000	1	121.3750	0.000	1	120.5600	1.328	2	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.7450	0.000	1	119.7450	0.000	1	120.5600	1.328	2	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a,6a]H)(H){2|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	122.8860	0.000	1	122.8860	0.000	1	122.8860	0.000	1	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	119.8460	0.000	1	119.8460	0.000	1	119.8460	0.000	1	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.3530	0.000	1	121.3530	0.000	1	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	122.1845	0.019	2	121.7256	0.104	9	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){3|C<3>,3|H<1>}	121.5944	0.221	7	121.7256	0.104	9	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	122.1760	0.000	1	122.0160	0.051	2	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	121.8560	0.000	1	122.0160	0.051	2	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	120.9400	0.000	1	121.8444	0.375	10	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	122.3000	0.127	2	121.8444	0.375	10	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	122.3685	0.582	2	121.8444	0.375	10	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	121.9640	0.150	2	121.8444	0.375	10	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	121.0890	0.048	2	121.8444	0.375	10	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	122.0610	0.000	1	121.8444	0.375	10	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|H<1>,1|S<4>,3|C<3>}	122.7730	0.000	1	122.4327	0.063	4	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	122.2660	0.000	1	122.4327	0.063	4	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	122.4720	0.000	1	122.4327	0.063	4	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|S<4>,2|H<1>,3|C<3>}	122.2200	0.000	1	122.4327	0.063	4	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	122.0810	0.000	1	122.0810	0.000	1	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]O)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	124.2740	0.185	2	124.2177	0.027	3	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]O)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	124.1050	0.000	1	124.2177	0.027	3	122.1275	0.720	30	121.9905	0.977	34	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	121.3727	0.164	4	121.3727	0.027	4	121.2002	0.169	5	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	120.5100	0.000	1	120.5100	0.000	1	121.2002	0.169	5	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	123.1950	0.000	1	123.5370	0.234	2	123.5370	0.234	2	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	123.8790	0.000	1	123.5370	0.234	2	123.5370	0.234	2	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	121.3960	0.000	1	121.3960	0.000	1	121.3960	0.000	1	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]Br)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O){1|C<4>,2|H<1>,4|C<3>}	120.3960	0.000	1	120.3960	0.000	1	120.4525	0.006	2	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C){1|O<1>,2|H<1>,4|C<3>}	120.5090	0.000	1	120.5090	0.000	1	120.4525	0.006	2	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6,6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a,6a]B[6,6,6a]C[6,6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6,6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a,6a]B[6,6,6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a]){1|B<3>,2|H<1>,6|C<3>}	122.9530	0.000	1	122.9530	0.000	1	122.9530	0.000	1	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,5|C<3>}	119.3530	0.000	1	119.3530	0.000	1	119.3530	0.000	1	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	121.2260	0.000	1	121.2260	0.000	1	121.2260	0.000	1	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,7|C<3>}	122.1140	0.000	1	122.1140	0.000	1	122.1140	0.000	1	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	121.7745	0.992	2	122.8870	1.859	10	123.1538	1.600	14	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	120.3790	0.000	1	122.8870	1.859	10	123.1538	1.600	14	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){3|H<1>,6|C<3>}	122.3500	0.000	1	122.8870	1.859	10	123.1538	1.600	14	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	124.0537	0.480	4	122.8870	1.859	10	123.1538	1.600	14	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	123.6200	0.000	1	122.8870	1.859	10	123.1538	1.600	14	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	122.7570	0.000	1	122.8870	1.859	10	123.1538	1.600	14	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a]){2|H<1>,6|C<3>}	124.6850	0.000	1	124.0955	0.695	2	123.1538	1.600	14	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a]){1|C<4>,3|H<1>,5|C<3>}	123.5060	0.000	1	124.0955	0.695	2	123.1538	1.600	14	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a]){2|H<1>,5|C<3>}	124.0840	0.000	1	124.0840	0.000	1	123.1538	1.600	14	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){2|H<1>,6|C<3>}	123.0080	0.000	1	123.0080	0.000	1	123.1538	1.600	14	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	123.3360	0.000	1	123.3360	0.000	1	123.3360	0.000	1	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	123.2360	0.000	1	123.2360	0.000	1	123.4500	0.092	2	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	123.6640	0.000	1	123.6640	0.000	1	123.4500	0.092	2	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,5|C<3>}	122.3213	0.428	3	122.3213	0.183	3	122.3213	0.183	3	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	121.4323	0.056	3	121.4323	0.003	3	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	123.6060	0.000	1	122.7508	0.586	9	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|Br<1>,3|C<3>,3|H<1>}	122.4370	0.000	1	122.7508	0.586	9	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	123.1100	0.000	1	122.7508	0.586	9	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>,3|H<1>}	122.2960	0.226	2	122.7508	0.586	9	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	123.0170	0.000	1	122.7508	0.586	9	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|C<3>,4|H<1>}	122.2290	1.426	2	122.7508	0.586	9	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	123.5370	0.000	1	122.7508	0.586	9	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,2|H<1>,6|C<3>}	122.4020	0.000	1	123.1107	0.256	4	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	123.3470	0.222	3	123.1107	0.256	4	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	120.8010	0.000	1	121.3940	0.198	4	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|Si<4>,3|C<3>,3|H<1>}	121.6840	0.000	1	121.3940	0.198	4	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	121.7820	0.000	1	121.3940	0.198	4	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	121.3090	0.000	1	121.3940	0.198	4	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,2|H<1>,5|C<3>}	122.7030	0.000	1	122.7030	0.000	1	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a]){2|H<1>,6|C<3>}	123.1660	0.000	1	123.1660	0.000	1	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){2|H<1>,3|C<3>}	123.0647	0.355	3	123.0863	0.086	4	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,1|N<3>,3|C<3>}	123.1510	0.000	1	123.0863	0.086	4	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	121.5130	0.000	1	121.5130	0.000	1	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N){1|H<1>,1|N<2>,4|C<3>}	124.1970	0.000	1	124.1970	0.000	1	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]F)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]F)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	122.4280	0.000	1	122.4280	0.000	1	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	123.2610	0.000	1	123.5150	0.129	2	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>,3|H<1>}	123.7690	0.000	1	123.5150	0.129	2	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	123.1020	0.000	1	122.3684	0.159	9	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	121.6730	0.000	1	122.3684	0.159	9	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|I<1>,1|N<2>,2|C<3>,3|H<1>}	122.3240	0.000	1	122.3684	0.159	9	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	122.3502	0.243	5	122.3684	0.159	9	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	122.4660	0.000	1	122.3684	0.159	9	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[6])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[6]){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	124.1020	0.000	1	124.1020	0.000	1	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	123.4870	0.000	1	123.4870	0.000	1	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S){1|N<2>,2|C<3>,4|H<1>}	124.5335	0.087	2	124.5335	0.008	2	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[5a]2)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[5a]2){1|N<2>,3|H<1>,4|C<3>}	124.8475	0.265	2	124.8475	0.070	2	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,3|C<3>}	124.4900	0.000	1	124.4900	0.000	1	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	124.8565	0.433	2	124.8565	0.188	2	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	124.2320	0.000	1	123.5785	0.854	2	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	122.9250	0.000	1	123.5785	0.854	2	122.9310	1.158	51	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O){1|H<1>,6|C<3>}	120.4770	0.000	1	120.4770	0.000	1	120.9147	0.093	4	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O){1|C<4>,2|H<1>,4|C<3>}	121.1010	0.112	2	121.1010	0.012	2	120.9147	0.093	4	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O){1|C<4>,1|H<1>,4|C<3>}	120.9800	0.000	1	120.9800	0.000	1	120.9147	0.093	4	122.6462	1.575	89	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a]FF)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a]FF){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	119.3650	0.000	1	119.3650	0.000	1	119.3650	0.000	1	121.1120	0.684	7	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	C[6a,6a](N[5a,6a]C[5a,6a]B[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2)	C[6a,6a](N[5a,6a]C[5a,6a]B[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2){2|H<1>,5|C<3>}	121.5897	0.201	4	121.5897	0.040	4	121.5897	0.040	4	121.1120	0.684	7	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:B[5a]-4:	C[6a,6a](N[5a,6a]C[5a,6a]B[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)	C[6a,6a](N[5a,6a]C[5a,6a]B[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	121.0300	0.075	2	121.0300	0.006	2	121.0300	0.006	2	121.1120	0.684	7	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]){1|C<4>,1|N<3>,5|C<3>}	124.3060	0.000	1	124.3060	0.000	1	124.3060	0.000	1	124.3060	0.000	1	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	124.0060	0.000	1	124.0060	0.000	1	124.0060	0.000	1	124.0060	0.000	1	122.4676	1.691	134	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:N[5a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5a])(O[6]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5a])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6,6a]C[6a]){1|O<2>,3|H<1>,6|C<3>}	119.8080	0.000	1	119.8080	0.000	1	119.8080	0.000	1	119.8080	0.000	1	120.9811	0.697	10	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:N[5a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a])	N[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a]){1|N<3>,4|C<3>,8|H<1>}	N[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|N<3>,2|C<3>,2|H<1>}	120.8642	0.221	8	120.8642	0.049	8	120.8642	0.049	8	120.8642	0.049	8	120.9811	0.697	10	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6,6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]N[5a])(C[6]O[6]CC)	N[5a](C[6a]C[6a,6a]C[6,6a])(C[5a]C[5a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]2){1|N<2>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]N[5a])(C[6]O[6]CC){6|C<3>}	N[5a](C[6a]C[6a,6a]C[6,6a])(C[5a]C[5a]H)2{1|C<4>,2|H<1>,3|C<3>}	123.0890	0.000	1	123.0890	0.000	1	123.0890	0.000	1	123.0890	0.000	1	120.9811	0.697	10	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	C[6a,6a](C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	119.5855	0.482	2	119.5855	0.232	2	119.7498	0.765	5	119.7498	0.765	5	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	C[6a,6a](C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	119.3260	0.000	1	119.1885	0.038	2	119.7498	0.765	5	119.7498	0.765	5	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a])	C[6a,6a](C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	119.0510	0.000	1	119.1885	0.038	2	119.7498	0.765	5	119.7498	0.765	5	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]N[6a])	C[6a,6a](C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(N[6a]N[6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.2010	0.000	1	121.2010	0.000	1	119.7498	0.765	5	119.7498	0.765	5	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	120.0770	0.000	1	120.0770	0.000	1	120.0770	0.000	1	121.0540	1.909	2	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(N[6a]C[6a]){9|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a]N[6a])(C[6a,6a]C[6a]2){2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	122.0310	0.000	1	122.0310	0.000	1	122.0310	0.000	1	121.0540	1.909	2	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	119.6365	1.175	2	119.6365	1.379	2	119.6365	1.379	2	119.6365	1.379	2	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:2:	3:4:3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a]-3:B[5a]-4:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]B[5a]C[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[5a](C[6a]C[6a,6a]C[6a])(B[5a]O[5a]FF)(C[5a]C[5a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]B[5a]C[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|B<4>,3|C<3>,4|H<1>}	N[5a](C[6a]C[6a,6a]C[6a])(B[5a]O[5a]FF)(C[5a]C[5a]C){1|H<1>,1|N<2>,3|C<3>}	119.8000	0.000	1	119.8000	0.000	1	119.8000	0.000	1	119.8000	0.000	1	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,4|H<1>}	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{1|H<1>,5|C<3>}	120.6530	0.000	1	120.6530	0.000	1	120.8643	0.043	3	121.8263	0.665	8	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]I)	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|H<1>,1|I<1>,5|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]I){2|C<3>,2|N<2>,4|H<1>}	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{2|H<1>,4|C<3>}	120.9700	0.139	2	120.9700	0.019	2	120.8643	0.043	3	121.8263	0.665	8	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C[6a,6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2)	C[6a,6a](C[6a]C[6a]N[5a])2(C[6a,6a]C[6a]2)	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])2(C[6a,6a]C[6a]2){2|C<3>,4|H<1>,4|N<2>}	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{2|H<1>,4|C<3>}	122.4034	0.179	5	122.4034	0.032	5	122.4034	0.032	5	121.8263	0.665	8	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a]N[5a])	C[6a,6a](C[6a]C[6a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a]N[5a]){1|N<2>,3|H<1>,6|C<3>}	C[6a,6a](C[6a]C[6a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	118.4995	0.231	2	118.4995	0.053	2	118.4995	0.053	2	120.5585	2.541	19	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	120.6740	0.204	2	120.6740	0.041	2	120.5755	0.083	4	120.5585	2.541	19	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	120.1860	0.000	1	120.4770	0.169	2	120.5755	0.083	4	120.5585	2.541	19	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	120.7680	0.000	1	120.4770	0.169	2	120.5755	0.083	4	120.5585	2.541	19	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,4|C<3>}	119.0190	0.000	1	119.0190	0.000	1	120.0583	1.050	4	120.5585	2.541	19	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	119.4000	0.000	1	120.4047	0.855	3	120.0583	1.050	4	120.5585	2.541	19	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	121.2200	0.000	1	120.4047	0.855	3	120.0583	1.050	4	120.5585	2.541	19	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	120.5940	0.000	1	120.4047	0.855	3	120.0583	1.050	4	120.5585	2.541	19	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]){2|H<1>,5|C<3>}	119.9290	0.000	1	119.9290	0.000	1	119.9290	0.000	1	120.5585	2.541	19	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|N<2>,3|C<3>,3|H<1>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	120.3215	0.514	2	119.8953	0.677	3	119.6600	0.673	4	120.5585	2.541	19	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	119.0430	0.000	1	119.8953	0.677	3	119.6600	0.673	4	120.5585	2.541	19	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]N)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	118.9540	0.000	1	118.9540	0.000	1	119.6600	0.673	4	120.5585	2.541	19	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a,6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[5a])2(C[6a,6a]C[6a]2)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])2(C[6a,6a]C[6a]2){2|N<2>,4|C<3>,4|H<1>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	123.1270	0.507	4	123.1270	0.257	4	123.1270	0.257	4	120.5585	2.541	19	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6,6a])(C[5a]C[5a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]2){1|N<2>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[6a]C[6a,6a]C[6,6a])(C[5a]C[5a]H)2{1|C<4>,2|H<1>,3|C<3>}	115.8280	0.000	1	115.8280	0.000	1	115.8280	0.000	1	119.1141	2.197	29	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a,6a]C[5a])	C[6a,6a](C[6a]C[6a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a,6a]C[5a]){1|N<2>,3|H<1>,7|C<3>}	C[6a,6a](C[6a]C[6a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H){1|H<1>,6|C<3>}	118.6475	0.520	4	118.6475	0.270	4	118.5567	0.311	6	119.1141	2.197	29	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a,6a]C[5a])	C[6a,6a](C[6a]C[6a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a,6a]C[5a]){2|N<2>,3|H<1>,6|C<3>}	C[6a,6a](C[6a]C[6a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H){6|C<3>}	118.3750	0.803	2	118.3750	0.645	2	118.5567	0.311	6	119.1141	2.197	29	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a]2)	C[6a,6a](C[6a]C[6a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a]2){1|N<2>,4|H<1>,6|C<3>}	C[6a,6a](C[6a]C[6a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	N[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,4|C<3>}	118.8035	0.554	2	118.8312	0.147	4	118.8312	0.147	4	119.1141	2.197	29	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a]2)	C[6a,6a](C[6a]C[6a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[5a]C[5a]2){1|N<2>,4|H<1>,6|C<3>}	C[6a,6a](C[6a]C[6a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,4|C<3>}	118.8590	0.361	2	118.8312	0.147	4	118.8312	0.147	4	119.1141	2.197	29	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]2){3|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,6|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<2>,2|H<1>,3|C<3>}	119.4110	0.000	1	119.4110	0.000	1	119.4110	0.000	1	119.1141	2.197	29	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){4|H<1>,5|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)2{3|C<3>,3|H<1>}	119.7090	0.000	1	119.7090	0.000	1	119.7090	0.000	1	119.1141	2.197	29	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)2{3|C<3>,3|H<1>}	118.6460	0.000	1	118.6460	0.000	1	119.2788	2.795	9	119.1141	2.197	29	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,4|C<3>,4|H<1>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>,3|C<3>}	118.7140	0.406	2	118.7140	0.165	2	119.2788	2.795	9	119.1141	2.197	29	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]Br)(C[5a]N[5a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|Br<1>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]Br)(C[5a]N[5a]S){1|H<1>,3|C<3>}	118.3765	0.706	4	118.3765	0.499	4	119.2788	2.795	9	119.1141	2.197	29	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|H<1>,1|N<4>,2|C<4>,5|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){4|C<3>,4|H<1>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)2{3|C<3>,3|H<1>}	120.9700	0.000	1	120.9700	0.000	1	119.2788	2.795	9	119.1141	2.197	29	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){4|C<3>,4|H<1>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)2{3|C<3>,3|H<1>}	122.9590	0.000	1	122.9590	0.000	1	119.2788	2.795	9	119.1141	2.197	29	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){3|H<1>,7|C<3>}	116.8260	0.000	1	116.8260	0.000	1	116.8260	0.000	1	119.1141	2.197	29	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){3|H<1>,7|C<3>}	120.2675	0.169	2	120.2675	0.029	2	120.2675	0.029	2	119.1141	2.197	29	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){2|H<1>,5|C<3>}	119.0165	0.237	2	119.0165	0.056	2	120.4567	2.784	4	119.1141	2.197	29	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){3|H<1>,5|C<3>}	121.8970	0.000	2	121.8970	0.000	2	120.4567	2.784	4	119.1141	2.197	29	119.9918	2.715	66	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	N[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5,6a]C[6a])(C[6a]C[6a]H)2	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH){3|H<1>,5|C<3>}	118.6190	0.000	1	118.6190	0.000	1	118.6190	0.000	1	118.6190	0.000	1	118.6190	0.000	1	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:3:	3:3:2:	N[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	117.1280	0.000	1	117.1280	0.000	1	118.2135	2.357	2	118.2135	2.357	2	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:3:	3:3:2:	N[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	119.2990	0.000	1	119.2990	0.000	1	118.2135	2.357	2	118.2135	2.357	2	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:3:	3:3:3:	N[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<2>,3|C<3>}	119.6230	0.000	1	119.6230	0.000	1	119.6230	0.000	1	119.6230	0.000	1	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	123.7500	0.025	2	123.4780	0.099	4	123.4780	0.099	4	123.4780	0.099	4	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,4|C<3>}	123.2060	0.037	2	123.4780	0.099	4	123.4780	0.099	4	123.4780	0.099	4	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[6a]N[6a])	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[6a]N[6a]){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	119.9705	0.636	4	119.9705	0.405	4	119.9705	0.405	4	119.9705	0.405	4	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]Br)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<3>,2|N<2>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.3810	0.000	1	118.3810	0.000	1	121.2990	6.599	3	121.2990	6.599	3	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.7580	0.652	2	122.7580	0.425	2	121.2990	6.599	3	121.2990	6.599	3	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:2:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){7|C<3>}	116.7710	0.000	1	116.7710	0.000	1	119.7840	5.139	4	119.7840	5.139	4	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:2:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	119.3020	0.000	1	120.7883	1.657	3	119.7840	5.139	4	119.7840	5.139	4	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:2:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	121.5320	0.000	1	120.7883	1.657	3	119.7840	5.139	4	119.7840	5.139	4	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:2:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	121.5310	0.000	1	120.7883	1.657	3	119.7840	5.139	4	119.7840	5.139	4	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,4|C<3>}	116.3150	0.672	3	116.3150	0.452	3	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	118.1130	0.000	1	118.1130	0.000	1	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	119.3375	0.350	2	119.8324	0.430	10	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	119.8400	0.492	3	119.8324	0.430	10	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	119.9930	1.418	2	119.8324	0.430	10	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	120.0950	0.747	2	119.8324	0.430	10	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	119.9530	0.000	1	119.8324	0.430	10	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,5|C<3>}	120.5230	0.000	1	120.5520	0.192	3	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	121.0040	0.000	1	120.5520	0.192	3	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	120.1290	0.000	1	120.5520	0.192	3	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	119.9840	0.000	1	119.9840	0.000	1	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	118.0140	0.000	1	118.0140	0.000	1	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	119.4110	0.727	2	119.4110	0.528	2	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	120.0770	0.000	1	120.0770	0.000	1	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	119.1560	0.000	1	119.1560	0.000	1	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	120.9420	0.000	1	120.3128	0.615	13	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	121.2600	0.000	1	120.3128	0.615	13	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|I<1>,3|C<3>}	120.0585	0.435	2	120.3128	0.615	13	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	120.6790	0.000	1	120.3128	0.615	13	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	120.4370	0.643	3	120.3128	0.615	13	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,3|C<3>,3|H<1>}	118.5270	0.000	1	120.3128	0.615	13	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	119.5250	0.000	1	120.3128	0.615	13	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	119.9150	0.000	1	120.3128	0.615	13	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,4|H<1>}	120.8950	0.346	2	120.3128	0.615	13	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	119.3500	0.000	1	119.3500	0.000	1	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	120.3755	0.980	4	120.2340	0.998	9	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,3|C<3>}	120.5717	0.544	4	120.2340	0.998	9	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|H<1>,3|C<3>}	118.3170	0.000	1	120.2340	0.998	9	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	120.9600	0.000	1	120.9600	0.000	1	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	121.9380	0.000	1	121.5363	2.360	6	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	119.3640	0.000	1	121.5363	2.360	6	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,4|C<3>}	121.6940	2.393	2	121.5363	2.360	6	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	122.2640	0.288	2	121.5363	2.360	6	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	118.2480	0.000	1	118.2480	0.000	1	119.9452	1.960	54	119.9452	1.960	54	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){8|C<3>}	118.3130	1.185	2	118.3130	1.404	2	117.7987	0.832	4	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	117.2845	0.182	2	117.2845	0.033	2	117.7987	0.832	4	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	119.2585	1.025	2	119.2585	1.050	2	119.2585	1.050	2	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.1840	0.000	1	119.1840	0.000	1	118.0205	2.535	13	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	115.7220	0.000	1	115.7220	0.000	1	118.0205	2.535	13	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|I<1>,6|C<3>}	115.3360	0.000	1	115.3360	0.000	1	118.0205	2.535	13	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	120.0390	0.000	1	120.0390	0.000	1	118.0205	2.535	13	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	118.0510	0.000	1	118.0510	0.000	1	118.0205	2.535	13	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	117.8810	0.000	1	118.4697	1.488	3	118.0205	2.535	13	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	118.7640	1.567	2	118.4697	1.488	3	118.0205	2.535	13	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	120.5650	0.000	1	120.5650	0.000	1	118.0205	2.535	13	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	116.8950	0.000	1	117.4900	0.439	4	118.0205	2.535	13	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){4|H<1>,5|C<3>}	117.9310	0.000	1	117.4900	0.439	4	118.0205	2.535	13	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	117.5670	0.870	2	117.4900	0.439	4	118.0205	2.535	13	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]F)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]F)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|F<1>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|F<1>,5|C<3>}	121.4650	0.000	1	121.4650	0.000	1	120.1829	2.466	8	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	118.6620	0.000	1	118.6620	0.000	1	120.1829	2.466	8	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	118.5710	0.000	1	119.1950	0.779	2	120.1829	2.466	8	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	119.8190	0.000	1	119.1950	0.779	2	120.1829	2.466	8	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	119.9465	0.926	2	119.9465	0.857	2	120.1829	2.466	8	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<2>,1|H<1>,3|C<3>}	119.7950	0.000	1	119.7950	0.000	1	120.1829	2.466	8	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	123.2580	0.000	1	123.2580	0.000	1	120.1829	2.466	8	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	117.5200	0.000	1	117.5200	0.000	1	117.5200	0.000	1	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){7|C<3>}	117.1640	0.000	1	117.1640	0.000	1	116.9820	0.072	3	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	116.8910	0.308	2	116.8910	0.095	2	116.9820	0.072	3	118.5131	2.933	31	119.6488	3.338	103	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:2:3:	3:3:1:	3:3:2:	N[5a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	118.4840	0.000	1	118.4840	0.000	1	118.8145	0.218	2	120.4315	8.317	4	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:2:3:	3:3:1:	3:3:2:	N[5a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(N[6a]N[5a,6a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	119.1450	0.000	1	119.1450	0.000	1	118.8145	0.218	2	120.4315	8.317	4	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:2:3:	3:3:1:	3:3:2:	N[5a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	119.3770	0.000	1	119.3770	0.000	1	119.3770	0.000	1	120.4315	8.317	4	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:2:3:	3:3:1:	3:3:2:	N[5a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a]O[6a])(C[6a]C[6a,6a]O)(H)	N[5a](C[6a]C[6a]O[6a])(C[5a]N[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a]N[5a]O[6a])(C[6a]C[6a,6a]O)(H){1|N<2>,3|C<3>}	N[5a](C[6a]C[6a]O[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	124.7200	0.000	1	124.7200	0.000	1	124.7200	0.000	1	120.4315	8.317	4	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:2:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	121.1645	0.247	2	121.1645	0.061	2	121.1645	0.061	2	121.1645	0.061	2	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:2:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]N[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])(H){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){1|N<2>,3|H<1>,5|C<3>}	121.4930	0.000	1	121.4930	0.000	1	121.4930	0.000	1	121.4930	0.000	1	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:2:2:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]Cl)(H)	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|F<1>,2|N<2>}	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2{2|H<1>,3|C<3>}	118.9605	0.057	2	118.9605	0.003	2	119.0977	0.083	6	119.0977	0.083	6	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:2:2:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2{1|H<1>,4|C<3>}	118.8735	0.018	2	118.8735	0.000	2	119.0977	0.083	6	119.0977	0.083	6	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:2:2:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	C[6a](C[6a]C[6a]H)(N[5a]N[5a]2)(N[6a]C[6a]){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H){1|C<3>,2|N<2>}	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|C<3>,2|H<1>}	119.4590	0.120	2	119.4590	0.014	2	119.0977	0.083	6	119.0977	0.083	6	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(Cl)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|Br<1>,1|Cl<1>,1|H<1>,2|C<3>}	118.9760	2.996	3	119.9868	10.072	4	119.9868	10.072	4	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(Cl)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(Cl){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	123.0190	0.000	1	119.9868	10.072	4	119.9868	10.072	4	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<4>,2|C<4>,2|H<1>,3|C<3>}	120.3715	0.155	2	120.3715	0.024	2	120.3715	0.024	2	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	119.7587	0.259	3	119.9322	0.165	4	119.9322	0.165	4	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	120.4530	0.000	1	119.9322	0.165	4	119.9322	0.165	4	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	119.4670	0.000	1	119.4670	0.000	1	120.4899	1.117	9	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N[6])(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N[6])(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	119.1540	0.000	1	119.1540	0.000	1	120.4899	1.117	9	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	120.5230	0.000	1	120.5230	0.000	1	120.4899	1.117	9	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])2(H)	N[5a](C[5a]C[5,5a,6]H)(C[6a]C[6a]N[6a])(N[5a]C[5,5a,6])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])2(H){2|N<2>,3|C<3>}	N[5a](C[5a]C[5,5a,6]H)(C[6a]C[6a]N[6a])(N[5a]C[5,5a,6]){1|H<1>,2|C<3>,2|C<4>}	120.8775	1.020	6	120.8775	1.040	6	120.4899	1.117	9	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	120.9115	0.951	8	120.9115	0.904	8	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	121.1943	0.868	3	120.7348	0.220	19	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	120.6487	0.337	16	120.7348	0.220	19	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]O)(N[5a]C[5a,6])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]O)(N[5a]C[5a,6]){1|H<1>,2|C<3>,2|C<4>}	121.9170	0.000	1	121.9170	0.000	1	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	120.6683	0.028	3	120.3251	0.292	13	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	119.9415	0.467	6	120.3251	0.292	13	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	120.6430	0.506	4	120.3251	0.292	13	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	121.0200	0.000	1	120.3596	0.496	5	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	120.7830	0.164	2	120.3596	0.496	5	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	119.4890	0.000	1	120.3596	0.496	5	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	119.7230	0.000	1	120.3596	0.496	5	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	121.0080	0.000	1	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	120.1790	0.000	1	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	121.3580	0.000	1	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	120.9470	0.000	1	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	121.5785	0.146	2	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	120.5220	0.000	1	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	119.9500	0.000	1	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	121.3545	0.094	2	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	120.7010	0.379	2	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	120.8941	0.604	7	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	120.4200	0.000	1	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	119.5880	0.000	1	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	119.7680	0.000	1	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|C<2>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	121.0130	0.000	1	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	120.8870	0.000	1	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	120.1925	0.288	2	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	120.6730	0.008	2	120.7464	0.346	28	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	120.2430	0.000	1	120.1825	0.007	2	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	120.1220	0.000	1	120.1825	0.007	2	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	119.4460	0.092	2	119.4460	0.008	2	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]O)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]O)(N[5a]C[5a]){2|H<1>,3|C<3>}	121.8530	0.000	1	121.8530	0.000	1	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	120.9502	0.618	5	120.9502	0.382	5	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]I)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	120.0195	0.303	2	120.0195	0.092	2	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]S)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	120.4240	0.411	4	120.2523	0.177	6	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]S)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	119.9090	0.161	2	120.2523	0.177	6	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	120.3620	0.000	1	120.3620	0.000	1	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	120.8420	0.000	1	120.8420	0.000	1	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]O)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)(H){1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]O)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	122.2040	0.000	1	122.2040	0.000	1	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(H){1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	121.2340	0.000	1	121.2340	0.000	1	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])2(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])2(H){2|N<2>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	119.5710	0.000	1	119.5710	0.000	1	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])2(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]N[5a]N[6a])2(H){2|N<2>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	119.3430	0.338	2	118.9955	0.157	6	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])2(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a]N[5a]N[6a])2(H){1|H<1>,2|N<2>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	119.1320	0.000	1	118.9955	0.157	6	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])2(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a]N[5a]N[6a])2(H){1|H<1>,2|N<2>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	118.7183	0.299	3	118.9955	0.157	6	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	119.7430	0.000	1	120.0153	0.060	3	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|N<2>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.2150	0.000	1	120.0153	0.060	3	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	120.0880	0.000	1	120.0153	0.060	3	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	120.8197	0.260	4	120.9130	0.094	5	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|N<2>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	121.2860	0.000	1	120.9130	0.094	5	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|N<2>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	119.8570	0.000	1	119.8570	0.000	1	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]S)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]S)(H){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	119.2890	0.000	1	119.2890	0.000	1	120.5261	0.563	113	120.4870	0.802	132	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,7|C<3>}	120.1000	0.000	1	120.1000	0.000	1	119.9055	0.076	2	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,5|C<3>}	119.7110	0.000	1	119.7110	0.000	1	119.9055	0.076	2	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H){1|H<1>,4|C<3>}	121.2870	0.000	1	121.2870	0.000	1	121.4152	0.184	21	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[5a]C[5a]C)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]2)(C[5a]C[5a]C){1|N<3>,3|C<3>,3|H<1>}	120.6610	0.000	1	120.6610	0.000	1	121.4152	0.184	21	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	121.2325	0.039	2	121.2325	0.002	2	121.4152	0.184	21	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)2	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)2{1|H<1>,2|C<3>}	121.4660	0.447	15	121.4660	0.199	15	121.4152	0.184	21	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]N[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6a]C[6a]H)(N[5a]C[5a]2)(N[6a]N[6a]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|N<2>,2|H<1>}	121.6585	0.288	2	121.6585	0.083	2	121.4152	0.184	21	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	121.3984	0.213	5	121.3984	0.046	5	121.3984	0.046	5	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]N[6a]){2|N<3>,3|H<1>,4|C<3>}	119.4663	0.518	4	119.4663	0.268	4	119.4663	0.268	4	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	119.2245	0.571	2	119.0302	0.740	4	119.0302	0.740	4	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	117.9020	0.000	1	119.0302	0.740	4	119.0302	0.740	4	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){3|H<1>,6|C<3>}	119.7700	0.000	1	119.0302	0.740	4	119.0302	0.740	4	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	119.5160	0.383	2	119.5160	0.147	2	120.1414	0.330	7	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|O<2>,2|H<1>,6|C<3>}	119.7010	0.000	1	120.3888	0.247	4	120.1414	0.330	7	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	120.8050	0.000	1	120.3888	0.247	4	120.1414	0.330	7	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){3|H<1>,6|C<3>}	120.5245	0.240	2	120.3888	0.247	4	120.1414	0.330	7	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){2|H<1>,6|C<3>}	120.4030	0.000	1	120.4030	0.000	1	120.1414	0.330	7	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	120.4850	0.000	1	120.4855	0.102	6	121.3636	0.971	18	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	120.5867	0.318	4	120.4855	0.102	6	121.3636	0.971	18	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	120.0810	0.000	1	120.4855	0.102	6	121.3636	0.971	18	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C[5])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C[5]){1|C<4>,4|H<1>,5|C<3>}	121.0890	0.000	1	121.0890	0.000	1	121.3636	0.971	18	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	121.8860	0.000	1	121.6030	0.160	2	121.3636	0.971	18	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	121.3200	0.000	1	121.6030	0.160	2	121.3636	0.971	18	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]N)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]N){2|H<1>,5|C<3>}	121.4680	0.000	1	121.4680	0.000	1	121.3636	0.971	18	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){2|H<1>,4|C<3>}	120.5430	0.000	1	120.5430	0.000	1	121.3636	0.971	18	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	122.2248	1.050	6	122.1894	0.927	7	121.3636	0.971	18	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	121.9770	0.000	1	122.1894	0.927	7	121.3636	0.971	18	120.9188	1.072	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]S)(N[6a]N[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(SC)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]S)(N[6a]N[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(SC){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	123.1290	0.000	1	123.1290	0.000	1	123.1290	0.000	1	123.1290	0.000	1	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(CN)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)2	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(CN){1|C<2>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)2{1|C<2>,2|C<3>,2|H<1>}	121.1470	0.000	1	121.1470	0.000	1	121.1470	0.000	1	121.1470	0.000	1	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5a,6]2)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(N[6a]C[6a,6a]){2|H<1>,6|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5a,6]2){1|N<2>,2|N<3>,5|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	120.5225	0.344	2	120.5225	0.119	2	120.5225	0.119	2	120.8013	0.293	3	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,1|N<3>,4|C<3>}	121.3590	0.000	1	121.3590	0.000	1	121.3590	0.000	1	120.8013	0.293	3	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,1|O<2>,2|N<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,6|C<3>}	120.5970	0.305	4	120.5970	0.093	4	120.2466	0.684	5	120.2466	0.684	5	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)(N[6a]C[6a]){1|N<3>,1|O<2>,2|N<2>,3|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NHH){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,6|C<3>}	118.8450	0.000	1	118.8450	0.000	1	120.2466	0.684	5	120.2466	0.684	5	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]C)(N[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]N[5a]N[6a])(CCHH)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]C)(N[6a]N[6a]){1|B<4>,1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]N[5a]N[6a])(CCHH){1|C<3>,2|F<1>,2|N<2>,2|N<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	120.0380	0.000	1	120.0380	0.000	1	120.0380	0.000	1	120.0380	0.000	1	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:4:	3:3:3:	C[6a]-3:N[5a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:C[5a]-3:	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[6a]C[6a]C)(N[5a]C[5a]2)(N[6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)(CH3){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|C<4>,5|C<3>}	119.2465	0.822	2	119.2465	0.676	2	119.2465	0.676	2	119.1803	0.351	3	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a])	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,6|C<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)(CH3){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	119.0480	0.000	1	119.0480	0.000	1	119.0480	0.000	1	119.1803	0.351	3	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:2:	4:3:3:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(N[6a]C[6a,6a])	C[6a](C[5]C[5,5]C[5]H)(C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(N[6a]C[6a,6a]){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	121.8630	0.000	1	121.8630	0.000	1	121.8630	0.000	1	121.8630	0.000	1	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	119.4850	0.000	1	119.4850	0.000	1	119.4850	0.000	1	118.0121	2.068	20	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	119.9160	0.000	1	120.1715	0.131	2	120.1360	0.062	4	118.0121	2.068	20	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,4|H<1>}	120.4270	0.000	1	120.1715	0.131	2	120.1360	0.062	4	118.0121	2.068	20	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	120.1005	0.223	2	120.1005	0.050	2	120.1360	0.062	4	118.0121	2.068	20	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]I)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]I){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(I){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|I<1>,1|N<2>,3|H<1>}	120.3060	0.000	1	120.3060	0.000	1	120.3060	0.000	1	118.0121	2.068	20	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O[6a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[6a](C[6a]C[6a]N[5a])(O[6a]C[6a,6a])(O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	117.3000	0.465	4	117.1362	0.222	14	117.1362	0.222	14	118.0121	2.068	20	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O[6a]-2:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[6a](C[6a]C[6a]N[5a])(O[6a]C[6a,6a])(O)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	117.0707	0.481	10	117.1362	0.222	14	117.1362	0.222	14	118.0121	2.068	20	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[6a]-2:Cl-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(Cl)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(N[5a]C[5a]2){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(Cl){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,2|N<2>}	121.3840	0.000	1	121.3840	0.000	1	121.3840	0.000	1	119.8518	4.738	13	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a,6a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<3>,1|N<2>,3|H<1>}	119.7480	0.430	4	119.7480	0.185	4	120.3160	0.946	7	119.8518	4.738	13	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.9530	0.000	1	119.9530	0.000	1	120.3160	0.946	7	119.8518	4.738	13	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]N[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|N<2>,3|H<1>}	121.6335	0.474	2	121.6335	0.225	2	120.3160	0.946	7	119.8518	4.738	13	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:O[6a]-2:O-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(O[6a]C[6a,6a])(O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(N[5a]C[5a]2){1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(O[6a]C[6a,6a])(O){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	114.2390	0.000	1	114.2390	0.000	1	114.2390	0.000	1	119.8518	4.738	13	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]O[6a]O)	C[6a](C[6a]C[6a]N[5a])(O[6a]C[6a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]O[6a]O){6|C<3>}	C[6a](C[6a]C[6a]N[5a])(O[6a]C[6a,6a])(O){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	116.7150	0.000	1	116.7150	0.000	1	116.7150	0.000	1	119.8518	4.738	13	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]N[6a]H)2	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]N[6a]H)2{5|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|N<2>,4|C<3>,4|H<1>}	121.8760	0.000	1	121.8760	0.000	1	121.8760	0.000	1	119.8518	4.738	13	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,3|H<1>}	120.8240	0.000	2	120.8240	0.000	2	120.8240	0.000	2	119.8518	4.738	13	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:S[6a]-2:S-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]S[6a]S)	C[6a](C[6a]C[6a]N[5a])(S[6a]C[6a,6a])(SC)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]S[6a]S){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(S[6a]C[6a,6a])(SC){1|N<2>,1|O<1>,3|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,2|S<2>}	118.3522	0.559	6	118.3522	0.313	6	118.3522	0.313	6	118.3522	0.313	6	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(NOO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(NOO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	122.4360	0.000	1	122.4360	0.000	1	122.4360	0.000	1	122.4360	0.000	1	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[6a]-2:N[5]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(N[5]C[5]2)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)(N[5a]C[5a]2){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(N[5]C[5]2){1|Cl<1>,1|N<2>,2|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,2|N<2>}	124.1960	0.000	1	124.1960	0.000	1	124.1960	0.000	1	124.1960	0.000	1	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	117.8065	0.047	2	117.8065	0.002	2	118.7336	1.433	61	118.7336	1.433	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	117.2855	1.071	4	118.0331	1.115	31	118.7336	1.433	61	118.7336	1.433	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	117.6574	1.183	5	118.0331	1.115	31	118.7336	1.433	61	118.7336	1.433	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	118.0740	1.169	6	118.0331	1.115	31	118.7336	1.433	61	118.7336	1.433	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	118.3220	0.941	16	118.0331	1.115	31	118.7336	1.433	61	118.7336	1.433	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](N[5a]C[5,5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|N<2>}	N[5a](N[5a]C[5,5a])2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	119.5225	0.568	8	119.5225	0.323	8	118.7336	1.433	61	118.7336	1.433	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](N[5a]C[5a,6,6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6,6])2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	120.0300	0.884	2	119.8528	0.695	10	118.7336	1.433	61	118.7336	1.433	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](N[5a]C[5a,6,6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[5a](N[5a]C[5a,6,6])2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	119.8085	0.878	8	119.8528	0.695	10	118.7336	1.433	61	118.7336	1.433	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.3585	0.784	2	119.1693	0.253	4	118.7336	1.433	61	118.7336	1.433	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	118.9800	0.017	2	119.1693	0.253	4	118.7336	1.433	61	118.7336	1.433	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.2435	0.685	2	120.0155	0.252	4	118.7336	1.433	61	118.7336	1.433	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	119.7875	0.278	2	120.0155	0.252	4	118.7336	1.433	61	118.7336	1.433	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](N[5a]C[5a,6,6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){1|C<3>,2|H<1>,4|N<2>}	N[5a](N[5a]C[5a,6,6])2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	118.3320	0.669	2	118.3320	0.447	2	118.7336	1.433	61	118.7336	1.433	61	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|H<1>,1|I<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{2|H<1>,4|C<3>}	115.9775	0.344	2	115.6940	0.466	9	115.6940	0.466	9	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{2|H<1>,4|C<3>}	115.3905	0.514	6	115.6940	0.466	9	115.6940	0.466	9	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{1|H<1>,5|C<3>}	116.9480	0.000	1	115.6940	0.466	9	115.6940	0.466	9	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5a]N[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|N<2>,3|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	117.5930	0.000	1	117.5930	0.000	1	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,2|C<3>,3|H<1>}	117.4260	0.000	1	117.4260	0.000	1	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|I<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|C<3>,2|H<1>,2|I<1>}	117.3470	0.000	1	117.3470	0.000	1	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|C<3>,2|H<1>,2|I<1>}	118.0120	0.000	1	117.7826	0.167	5	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|I<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	118.0200	0.000	1	117.7826	0.167	5	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|I<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|C<3>,2|H<1>,2|I<1>}	118.1940	0.000	1	117.7826	0.167	5	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,1|O<2>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|C<3>,2|H<1>,2|I<1>}	117.3435	0.067	2	117.7826	0.167	5	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	118.7460	0.000	1	118.7460	0.000	1	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	119.7110	0.427	2	119.2956	0.892	12	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	119.3212	1.095	6	119.2956	0.892	12	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	119.0570	0.499	2	119.2956	0.892	12	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	119.0420	1.669	2	119.2956	0.892	12	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	118.7980	0.000	1	118.4320	0.160	3	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	118.2490	0.344	2	118.4320	0.160	3	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	119.4900	0.000	1	119.5167	0.362	47	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	119.9330	0.000	1	119.5167	0.362	47	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|S<2>,2|C<3>,3|H<1>}	119.4300	0.344	2	119.5167	0.362	47	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<2>,2|H<1>,3|C<3>}	119.4705	0.390	2	119.5167	0.362	47	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|Si<4>,2|H<1>,3|C<3>}	119.6640	1.615	2	119.5167	0.362	47	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|H<1>,4|C<3>}	119.5544	0.765	14	119.5167	0.362	47	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{3|C<3>,3|H<1>}	119.7630	0.057	2	119.5167	0.362	47	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,2|C<3>,3|H<1>}	119.3810	0.609	4	119.5167	0.362	47	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	119.3880	1.082	2	119.5167	0.362	47	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|H<1>,4|C<3>}	119.3993	0.654	7	119.5167	0.362	47	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{3|C<3>,3|H<1>}	119.5352	0.289	10	119.5167	0.362	47	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	118.0850	0.000	1	118.0850	0.000	1	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	C[6a](C[6a]C[6a]H)2(N[5a]N[5a]2){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	117.9690	0.000	1	117.9690	0.000	1	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|N<3>,2|C<3>,3|H<1>}	118.0747	1.120	4	118.0747	1.254	4	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|C<4>,1|N<3>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){1|H<1>,1|N<3>,2|C<3>,3|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|N<3>,2|C<3>,3|H<1>}	117.5710	0.000	1	117.5710	0.000	1	119.1036	0.870	78	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(I)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(I){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|C<3>,2|H<1>,2|I<1>}	120.2550	0.000	1	120.2550	0.000	1	121.3011	1.934	7	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|C<3>,2|H<1>,2|I<1>}	122.4930	0.000	1	121.9918	0.582	5	121.3011	1.934	7	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	120.9630	0.000	1	121.9918	0.582	5	121.3011	1.934	7	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|C<3>,2|H<1>,2|I<1>}	121.3940	0.000	1	121.9918	0.582	5	121.3011	1.934	7	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|C<3>,2|H<1>,2|I<1>}	122.5545	0.172	2	121.9918	0.582	5	121.3011	1.934	7	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]S)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(I)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]I)(C[6a]C[6a]S)(N[5a]N[5a]2){2|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(I){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,1|S<2>,2|C<3>,2|H<1>}	118.8940	0.000	1	118.8940	0.000	1	121.3011	1.934	7	118.9408	2.347	94	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	118.7313	0.070	4	118.7313	0.005	4	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	118.5970	0.000	1	118.5970	0.000	1	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.8580	0.000	1	120.8580	0.000	1	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.3065	1.170	2	119.3065	1.370	2	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	119.7695	1.265	2	119.7695	1.600	2	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.2815	0.469	2	119.4949	0.604	13	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.8185	0.023	2	119.4949	0.604	13	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.4970	0.000	1	119.4949	0.604	13	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.4671	0.980	8	119.4949	0.604	13	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.3513	1.789	6	119.3513	3.202	6	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	119.4045	0.218	2	119.4045	0.048	2	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.8480	0.127	2	119.5877	0.340	8	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.7815	0.878	2	119.5877	0.340	8	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.3607	0.627	4	119.5877	0.340	8	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	117.1790	0.000	1	119.3317	2.541	7	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.1345	2.197	2	119.3317	2.541	7	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.4685	1.214	4	119.3317	2.541	7	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.7242	0.856	4	119.7242	0.732	4	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.8645	1.092	2	119.8645	1.194	2	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Se<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.4480	1.338	2	119.4480	1.790	2	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a,6]Pd)(N[5a]C[5a,6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Pd<7>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a,6]Pd)(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.2255	0.702	2	119.2255	0.493	2	119.4443	1.013	56	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.1415	0.701	2	119.7810	0.251	6	119.7810	0.251	6	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:S[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.6008	0.354	4	119.7810	0.251	6	119.7810	0.251	6	119.4769	0.944	62	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6760	0.346	4	120.6760	0.119	4	120.6760	0.119	4	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]){2|H<1>,5|C<3>}	118.1870	0.000	1	118.1870	0.000	1	118.1870	0.000	1	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	117.5330	0.229	2	117.5330	0.052	2	117.7705	2.326	16	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	117.5900	0.000	1	117.3540	0.111	2	117.7705	2.326	16	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	117.1180	0.000	1	117.3540	0.111	2	117.7705	2.326	16	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	120.1010	0.000	1	117.3267	3.782	7	117.7705	2.326	16	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	118.3970	0.000	1	117.3267	3.782	7	117.7705	2.326	16	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){2|N<2>,3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	119.4020	0.000	1	117.3267	3.782	7	117.7705	2.326	16	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	115.8468	0.511	4	117.3267	3.782	7	117.7705	2.326	16	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	117.8837	0.714	3	117.8837	0.511	3	117.7705	2.326	16	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]N)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	119.1640	0.000	1	119.1640	0.000	1	117.7705	2.326	16	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,4|C<3>}	120.4520	0.000	1	120.4520	0.000	1	117.7705	2.326	16	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(Cl)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]Cl){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	120.9425	0.514	2	120.9425	0.264	2	120.9425	0.264	2	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<6>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|B<6>,2|C<3>,3|H<1>}	116.7140	0.000	1	116.7140	0.000	1	118.0324	1.102	9	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	117.9390	0.000	1	117.9390	0.000	1	118.0324	1.102	9	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	117.8350	0.000	1	117.8350	0.000	1	118.0324	1.102	9	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|I<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	120.2780	0.000	1	120.2780	0.000	1	118.0324	1.102	9	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	117.9140	0.000	1	117.9140	0.000	1	118.0324	1.102	9	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){2|N<2>,2|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	118.5195	0.581	2	118.5195	0.337	2	118.0324	1.102	9	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,3|N<2>}	C[6a](C[6a]C[6a]N[5a])2(H){1|H<1>,1|N<3>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	117.2865	0.226	2	117.2865	0.051	2	118.0324	1.102	9	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	121.3058	0.356	4	121.3265	0.106	14	121.3265	0.106	14	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]O[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	121.3348	0.333	10	121.3265	0.106	14	121.3265	0.106	14	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]S[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(O)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a,6a]O)(C[6a]S[6a]S){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(O){1|H<1>,1|N<2>,2|S<2>,3|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,2|S<2>}	115.5507	0.497	6	115.5507	0.247	6	115.5507	0.247	6	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Br)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]C){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	119.0600	0.000	1	119.0600	0.000	1	120.3110	0.407	6	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Br)	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a]){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	120.5160	0.000	1	120.5160	0.000	1	120.3110	0.407	6	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Br)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Br){2|Br<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|Br<1>,3|C<3>}	120.5725	0.228	4	120.5725	0.052	4	120.3110	0.407	6	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	121.3180	0.000	1	121.3180	0.000	1	121.3180	0.000	1	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<4>,4|C<3>}	120.4130	0.021	2	120.4130	0.000	2	120.4130	0.000	2	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	120.2530	0.000	1	120.2530	0.000	1	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	120.9585	0.088	2	121.1587	0.153	9	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	121.3793	0.261	3	121.1587	0.153	9	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	120.8570	0.000	1	121.1587	0.153	9	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	121.1720	0.617	3	121.1587	0.153	9	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	123.6470	0.000	1	123.6470	0.000	1	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	123.1970	0.000	1	123.1970	0.000	1	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<2>,2|C<3>,2|H<1>}	121.2840	0.000	1	120.6595	0.780	2	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<2>,2|C<3>,2|H<1>}	120.0350	0.000	1	120.6595	0.780	2	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,2|C<3>}	120.1657	0.944	3	120.1657	0.890	3	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	120.9790	0.000	1	120.9790	0.000	1	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	120.6695	0.218	2	120.6695	0.048	2	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|H<1>,5|C<3>}	120.8320	0.038	2	120.8320	0.001	2	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|S<3>,2|C<3>}	119.8550	0.436	2	119.8550	0.190	2	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|Cl<1>,1|C<2>,2|C<3>}	120.5459	0.550	8	120.5686	0.377	68	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	120.6189	0.532	22	120.5686	0.377	68	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|Cl<1>,1|C<2>,2|C<3>}	120.5803	0.772	4	120.5686	0.377	68	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	120.5213	0.679	26	120.5686	0.377	68	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|I<1>,2|C<3>}	120.4615	0.697	2	120.5686	0.377	68	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|S<2>,2|C<3>}	120.6165	0.824	2	120.5686	0.377	68	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	120.2090	1.302	2	120.5686	0.377	68	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,4|C<3>}	121.1145	0.254	2	120.5686	0.377	68	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	120.6380	1.259	2	120.6380	1.584	2	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,5|C<3>}	120.7685	0.360	2	120.7685	0.130	2	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(Cl)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(Cl){2|Cl<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|H<1>,2|C<3>}	120.0718	0.484	4	120.0718	0.234	4	120.6479	0.542	100	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(F)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(F){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,3|C<3>}	121.8400	0.000	1	121.7815	1.478	4	121.2023	0.774	27	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(F)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(F){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	120.0460	0.000	1	121.7815	1.478	4	121.2023	0.774	27	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(F)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(F){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,3|C<3>}	122.6200	0.112	2	121.7815	1.478	4	121.2023	0.774	27	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(F)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(F){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	121.0540	0.000	1	121.0540	0.000	1	121.2023	0.774	27	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F){1|N<2>,2|C<3>,2|F<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|F<1>}	121.0820	0.535	2	121.0820	0.286	2	121.2023	0.774	27	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|H<1>,1|N<2>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|I<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|F<1>,3|C<3>}	121.6528	0.823	6	121.6528	0.677	6	121.2023	0.774	27	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|I<1>,1|N<2>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|F<1>,3|C<3>}	120.4710	0.904	2	120.8716	0.606	14	121.2023	0.774	27	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|I<1>,1|N<2>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|F<1>,3|C<3>}	120.8605	1.241	2	120.8716	0.606	14	121.2023	0.774	27	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|I<1>,1|N<2>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|F<1>,3|C<3>}	121.1570	0.872	6	120.8716	0.606	14	121.2023	0.774	27	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)2{1|I<1>,1|N<2>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F){1|N<2>,2|C<3>,2|F<1>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|F<1>,3|C<3>}	120.6492	0.486	4	120.8716	0.606	14	121.2023	0.774	27	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]B[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]B[5a,6a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<2>,2|H<1>}	N[5a](B[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|B<3>,1|B<4>,2|H<1>,4|C<3>}	119.8310	0.031	2	119.8310	0.001	2	119.8310	0.001	2	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<2>,2|H<1>}	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	119.6565	0.549	2	120.0934	0.235	12	120.1349	0.235	16	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<2>,2|H<1>}	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	120.1808	0.451	10	120.0934	0.235	12	120.1349	0.235	16	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<2>,2|H<1>}	N[5a](B[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	120.2155	0.264	2	120.2155	0.070	2	120.1349	0.235	16	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<2>,2|H<1>}	N[5a](B[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	120.3035	0.885	2	120.3035	0.783	2	120.1349	0.235	16	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:As[5a]-2:	C[6a](N[5a]C[5,5a]As[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a])	C[6a](N[5a]C[5,5a]As[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|As<2>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	118.5723	1.098	6	118.5723	1.206	6	118.5723	1.206	6	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	120.1105	1.702	2	120.1105	2.897	2	119.9797	1.070	4	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5,5a]C[5,5a]O[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5,5a]C[5,5a]O[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	119.8490	0.495	2	119.8490	0.245	2	119.9797	1.070	4	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	118.6565	1.855	2	118.6565	3.440	2	119.3215	1.449	32	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	119.1697	0.994	4	119.1697	0.987	4	119.3215	1.449	32	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,2|N<2>,4|C<3>}	118.8445	1.033	2	118.8445	1.067	2	119.3215	1.449	32	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	120.2410	0.977	2	119.8351	0.272	8	119.3215	1.449	32	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	119.8380	0.253	2	119.8351	0.272	8	119.3215	1.449	32	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	119.6308	0.361	4	119.8351	0.272	8	119.3215	1.449	32	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	119.3397	1.738	8	119.2126	2.428	14	119.3215	1.449	32	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	119.0030	1.563	4	119.2126	2.428	14	119.3215	1.449	32	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	119.1235	1.658	2	119.2126	2.428	14	119.3215	1.449	32	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	119.4740	0.477	2	119.4740	0.227	2	119.3215	1.449	32	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	118.7330	0.000	1	118.7330	0.000	1	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	118.9920	0.803	2	118.9920	0.645	2	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	119.5985	0.414	2	119.5329	0.570	8	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	119.5110	0.873	6	119.5329	0.570	8	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	119.2315	0.794	2	119.2315	0.631	2	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	119.7885	1.158	2	119.7014	0.735	8	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,5|H<1>}	119.5632	1.092	4	119.7014	0.735	8	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	119.8905	0.258	2	119.7014	0.735	8	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,3|C<3>,4|H<1>}	120.1870	0.673	2	119.4109	0.774	28	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,3|C<3>,4|H<1>}	120.0170	1.107	2	119.4109	0.774	28	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,4|H<1>}	119.5935	0.517	2	119.4109	0.774	28	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	119.2854	0.885	20	119.4109	0.774	28	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	119.1005	1.247	2	119.4109	0.774	28	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6,6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6,6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	119.7303	0.658	7	119.7303	0.433	7	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	119.5327	1.039	4	119.7793	0.768	62	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	120.0755	1.923	2	119.7793	0.768	62	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,4|H<1>}	120.3780	0.600	2	119.7793	0.768	62	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	119.7611	0.888	8	119.7793	0.768	62	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	119.6474	0.827	24	119.7793	0.768	62	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	120.1465	1.989	2	119.7793	0.768	62	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	119.9500	0.980	4	119.7793	0.768	62	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	119.8476	0.793	16	119.7793	0.768	62	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	119.7460	2.068	2	120.0038	1.899	78	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	120.4518	1.393	8	120.0038	1.899	78	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	120.1805	1.302	2	120.0038	1.899	78	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.9990	0.467	2	120.0038	1.899	78	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	120.0565	1.423	22	120.0038	1.899	78	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	119.8950	1.411	42	120.0038	1.899	78	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	120.0005	0.525	2	120.0005	0.276	2	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	118.5335	1.305	2	118.5335	1.702	2	119.7718	1.223	200	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:As[5a]-2:	C[6a](N[5a]C[5a,6a]As[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(As[5a]N[5a])	C[6a](N[5a]C[5a,6a]As[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|As<2>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(As[5a]N[5a]){2|H<1>,6|C<3>}	119.1585	0.819	4	119.1585	0.671	4	119.1585	0.671	4	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	117.1670	0.000	1	117.1670	0.000	1	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	117.1500	0.000	1	117.1500	0.000	1	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	117.1000	0.000	1	117.1000	0.000	1	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|I<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|I<1>,4|C<3>}	119.2400	0.000	1	118.2672	0.388	5	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|I<1>,2|H<1>,4|C<3>}	117.8507	0.059	3	118.2672	0.388	5	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|I<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|I<1>,2|H<1>,4|C<3>}	118.5440	0.000	1	118.2672	0.388	5	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	119.5320	0.000	1	119.9175	0.297	2	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	120.3030	0.000	1	119.9175	0.297	2	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	120.6220	0.000	1	120.6220	0.000	1	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	117.8400	0.000	1	117.8400	0.000	1	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	120.4270	0.000	1	120.4270	0.000	1	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	120.6760	0.000	1	120.6760	0.000	1	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,4|C<3>}	117.4230	0.000	1	117.4230	0.000	1	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	119.5895	1.118	2	119.5895	1.250	2	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	119.3425	0.129	2	119.3425	0.017	2	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,4|C<3>}	120.6050	0.000	1	119.3354	0.574	5	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,4|C<3>}	119.1160	0.349	2	119.3354	0.574	5	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,4|C<3>}	118.9200	0.349	2	119.3354	0.574	5	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	120.8100	0.000	1	119.6970	0.824	11	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.7470	1.158	2	119.6970	0.824	11	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|N<2>,2|H<1>,4|C<3>}	119.2185	1.066	4	119.6970	0.824	11	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	119.9565	0.739	2	119.6970	0.824	11	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	119.7880	0.795	2	119.6970	0.824	11	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	120.1260	0.000	1	119.8023	0.687	12	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|I<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	120.9250	0.000	1	119.8023	0.687	12	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|I<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	119.5620	0.000	1	119.8023	0.687	12	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	120.9500	0.000	1	119.8023	0.687	12	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	119.7175	1.607	2	119.8023	0.687	12	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	119.3830	0.724	2	119.8023	0.687	12	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	119.4660	0.546	4	119.8023	0.687	12	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	119.1660	0.000	1	119.8901	1.102	211	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	120.2625	2.067	2	119.8901	1.102	211	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	119.9540	1.797	2	119.8901	1.102	211	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	120.0125	1.541	8	119.8901	1.102	211	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	119.9750	0.570	4	119.8901	1.102	211	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	119.8956	1.045	160	119.8901	1.102	211	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	119.8208	0.865	4	119.8901	1.102	211	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	119.6972	1.194	6	119.8901	1.102	211	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	119.9454	1.028	18	119.8901	1.102	211	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	119.3060	1.089	2	119.8901	1.102	211	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	119.8755	1.252	2	119.8901	1.102	211	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	119.5310	0.673	2	119.8901	1.102	211	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	119.8840	0.256	2	119.6500	0.453	8	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	119.5720	0.770	6	119.6500	0.453	8	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	119.7362	1.741	10	119.7362	3.030	10	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|I<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	117.7710	0.000	1	118.9655	2.854	2	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|I<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	120.1600	0.000	1	118.9655	2.854	2	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	118.1040	0.000	1	118.1040	0.000	1	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	118.3875	1.255	2	118.3875	1.575	2	119.7601	1.226	281	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5,6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5,6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	116.7480	0.000	1	116.7480	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	117.0140	0.000	1	117.0140	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	119.1780	0.194	2	119.1780	0.038	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	116.6270	0.000	1	116.6270	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	117.4850	0.000	1	117.4850	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	115.8480	0.000	1	115.8480	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a]){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	118.0330	0.000	1	118.0330	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	117.8000	0.000	1	117.8000	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	120.1510	0.000	1	118.3370	1.655	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	117.4225	0.015	2	118.3370	1.655	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	118.3520	0.000	1	118.3370	1.655	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	115.8670	0.000	1	115.8670	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	118.5920	0.000	1	118.5920	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	117.7710	0.000	1	117.7710	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	116.6730	0.000	1	118.0834	0.818	5	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	118.8425	0.343	2	118.0834	0.818	5	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	118.0295	0.087	2	118.0834	0.818	5	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	116.3620	0.484	2	116.8105	0.346	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	117.2590	0.011	2	116.8105	0.346	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	116.3700	0.000	1	116.3700	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	117.6870	0.000	1	117.3640	0.209	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	117.0410	0.000	1	117.3640	0.209	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	118.0315	0.334	2	118.0315	0.112	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	118.1040	0.000	1	118.1040	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	117.6670	0.000	1	117.6670	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	117.4870	0.815	2	117.4870	0.664	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	116.1390	0.000	1	116.1390	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	119.8220	0.000	1	119.8220	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	118.7960	0.000	1	118.2445	0.608	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	117.6930	0.000	1	118.2445	0.608	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	118.0000	0.000	1	118.0000	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	117.5710	0.000	1	117.5710	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	116.0290	0.000	1	116.0290	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.1780	0.000	1	119.0667	0.179	3	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.0110	0.583	2	119.0667	0.179	3	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	118.2200	0.000	1	118.2200	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	118.9340	0.117	2	118.9340	0.014	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	119.2620	0.000	1	119.2620	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	119.7223	1.368	3	119.3979	0.731	7	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|Cl<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	119.0913	0.141	3	119.3979	0.731	7	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|Cl<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	119.3440	0.000	1	119.3979	0.731	7	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	118.5930	0.000	1	118.5930	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	117.6970	0.000	1	117.6970	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<2>,2|C<3>,2|H<1>}	120.5340	0.000	1	119.9195	0.755	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|Cl<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<2>,2|C<3>,2|H<1>}	119.3050	0.000	1	119.9195	0.755	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,2|C<3>}	119.9667	0.834	3	119.9667	0.695	3	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|Cl<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	119.8070	0.000	1	119.8070	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){2|Cl<1>,1|N<2>,2|C<3>}	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	118.7870	0.130	2	118.7870	0.017	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,3|C<3>}	119.4485	0.224	2	119.4485	0.050	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	120.5870	0.000	1	120.5870	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|F<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	120.5330	0.000	1	120.5330	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|F<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,3|C<3>}	119.9280	0.000	1	119.9280	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|I<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|C<3>,3|H<1>}	120.3280	0.000	1	120.3280	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|I<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(H){1|I<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|C<3>,3|H<1>}	119.1240	0.000	1	119.1240	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	117.9860	0.000	1	117.9860	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.1637	0.075	3	118.4557	0.281	11	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	118.6192	0.661	6	118.4557	0.281	11	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	118.0930	0.000	1	118.4557	0.281	11	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<4>,2|C<3>,3|H<1>}	118.7140	0.000	1	118.4557	0.281	11	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	119.0610	0.000	1	119.0610	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	119.8770	0.082	2	119.8770	0.007	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|Fe<10>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	117.8980	0.000	1	117.8980	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	118.0940	0.000	1	118.0940	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	118.0516	0.858	5	118.3453	0.693	12	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	117.6710	0.000	1	118.3453	0.693	12	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.5980	0.107	2	118.3453	0.693	12	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	118.2820	0.475	2	118.3453	0.693	12	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	118.2275	0.619	2	118.3453	0.693	12	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	117.3390	0.000	1	119.5529	1.263	15	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	119.9677	0.784	12	119.5529	1.263	15	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	118.1710	0.354	2	119.5529	1.263	15	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	116.8910	0.000	1	116.8910	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	120.0150	0.000	1	119.8645	0.045	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	119.7140	0.000	1	119.8645	0.045	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	119.1410	0.349	2	119.1410	0.122	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	117.7620	0.000	1	117.7620	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	117.0190	0.000	1	117.0190	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	120.4750	4.906	2	120.4750	24.068	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|H<1>,5|C<3>}	119.8730	0.000	1	119.8730	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	119.4600	0.000	1	119.4600	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.8810	0.410	2	119.2223	0.564	6	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	119.3930	0.876	4	119.2223	0.564	6	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.0670	0.000	1	119.1065	2.161	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.1460	0.000	1	119.1065	2.161	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	118.2400	0.000	1	118.7210	0.240	3	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	118.9615	0.364	2	118.7210	0.240	3	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|C<2>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	117.5085	0.207	2	118.5995	1.615	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.5450	0.000	1	118.5995	1.615	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|I<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	119.8360	0.000	1	118.5995	1.615	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	117.1460	0.334	3	117.0747	0.095	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	116.8610	0.000	1	117.0747	0.095	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	117.8570	0.000	1	116.9671	0.299	7	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	116.8188	0.417	6	116.9671	0.299	7	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	117.2480	0.000	1	117.2480	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]Rh)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Rh<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	N[5a](C[5a]C[5a]Rh)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	118.4570	0.000	1	118.4570	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|S<2>,3|C<3>}	118.1270	0.000	1	118.1270	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|S<2>,2|C<3>}	118.1950	0.000	1	118.1950	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.2450	0.000	1	120.7505	0.511	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,4|H<1>}	121.2560	0.000	1	120.7505	0.511	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){2|C<3>,2|H<1>,3|N<2>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	119.9215	0.493	2	119.9215	0.243	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]I)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]I){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,2|N<2>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|I<1>,1|N<2>,3|H<1>}	121.4220	0.000	1	121.4220	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	120.5410	0.000	1	120.5410	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	117.3040	0.000	1	117.3040	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	118.4500	0.000	1	118.4500	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	118.9240	0.000	1	118.6895	0.110	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	118.4550	0.000	1	118.6895	0.110	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	118.2390	0.000	1	118.2390	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	119.5690	0.000	1	118.6395	1.728	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	117.7100	0.000	1	118.6395	1.728	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	121.1160	0.000	1	119.2670	0.695	24	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	119.3373	0.280	3	119.2670	0.695	24	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	118.9905	0.363	2	119.2670	0.695	24	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	118.2345	0.726	4	119.2670	0.695	24	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	119.6090	0.000	1	119.2670	0.695	24	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	118.7680	0.000	1	119.2670	0.695	24	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	119.3720	0.000	1	119.2670	0.695	24	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.1125	0.674	2	119.2670	0.695	24	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.6810	1.107	2	119.2670	0.695	24	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.4300	0.958	4	119.2670	0.695	24	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.7055	0.429	2	119.2670	0.695	24	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.8930	0.000	1	119.2670	0.695	24	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	120.3390	0.000	1	120.3390	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	118.9870	0.000	1	118.9870	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	118.9070	0.116	2	118.9070	0.013	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	118.8220	0.000	1	118.8220	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	118.5070	0.000	1	119.0566	1.231	5	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|Cl<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.1940	1.231	4	119.0566	1.231	5	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	118.6115	0.235	2	118.6115	0.055	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	119.7920	0.998	2	119.6793	1.386	14	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	119.9868	1.760	4	119.6793	1.386	14	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	119.5943	1.275	4	119.6793	1.386	14	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	119.4005	0.838	4	119.6793	1.386	14	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,4|C<3>}	119.2853	0.768	4	119.5530	1.038	14	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|H<1>,4|C<3>}	119.7300	1.259	2	119.5530	1.038	14	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,4|C<3>}	119.6426	1.179	8	119.5530	1.038	14	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	118.6415	0.586	2	118.6423	0.130	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	118.6430	0.214	2	118.6423	0.130	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]B[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|B<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]B[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	119.4980	0.201	2	119.4980	0.040	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	119.2580	1.448	2	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.1335	1.619	2	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.7630	1.530	2	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.1540	0.900	4	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	119.8490	1.745	2	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	119.3568	0.520	4	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	119.6960	1.222	2	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.7548	1.011	4	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	119.7375	0.134	2	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.6950	0.641	2	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	119.1110	0.686	2	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	119.2600	0.216	2	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.5015	1.339	2	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	119.4980	1.351	2	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	119.6514	0.869	8	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	119.6998	1.037	14	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	119.8005	0.705	4	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.5605	1.022	2	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|Pd<4>,2|H<1>,3|C<3>}	119.3500	1.069	2	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	119.4395	0.851	6	119.6391	0.766	70	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	119.1675	0.323	2	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.3082	0.463	6	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.3105	1.445	2	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.7560	0.714	34	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.6048	0.896	10	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.8130	1.785	6	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|C<3>,2|H<1>}	119.3440	0.247	2	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.0308	1.082	6	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.9225	1.773	2	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.2280	1.394	4	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.5303	1.292	28	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	120.1660	0.000	1	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.6577	1.501	4	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	119.6540	0.752	2	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	119.7320	1.147	2	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	119.4030	0.400	2	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.5246	0.657	8	119.5742	1.004	121	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	118.2840	0.289	4	118.7171	0.628	40	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	118.9885	0.841	6	118.7171	0.628	40	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	118.8631	0.879	14	118.7171	0.628	40	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	118.5958	0.772	16	118.7171	0.628	40	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>,3|H<1>}	119.6175	0.211	2	119.6175	0.045	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	118.6733	1.007	6	118.6972	0.784	18	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	118.9188	0.396	4	118.6972	0.784	18	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	118.6112	0.968	6	118.6972	0.784	18	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	118.5835	1.681	2	118.6972	0.784	18	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	119.6340	0.000	1	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	119.7570	0.000	1	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	119.6585	1.029	2	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	117.7550	2.901	2	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	119.8085	1.783	2	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	119.3315	0.896	2	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|H<1>,5|C<3>}	119.4480	1.352	2	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	119.8155	2.070	2	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	119.6350	1.215	2	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	119.6750	0.968	4	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	119.3438	0.740	16	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	120.1700	0.911	6	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	119.9248	1.196	8	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	119.4445	1.044	44	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	118.9243	0.551	4	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	120.0135	1.507	2	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,3|H<1>,4|C<3>}	119.2825	0.064	2	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<1>,3|H<1>,4|C<3>}	119.3030	1.776	2	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	119.2825	0.839	2	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	119.0355	1.034	2	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	119.4665	0.865	6	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	119.4648	0.686	4	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,3|H<1>,4|C<3>}	119.8036	0.573	8	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|H<1>,5|C<3>}	119.6825	1.112	2	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	119.5319	1.110	20	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	119.4204	0.738	38	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	119.3400	0.537	6	119.4849	0.891	192	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	120.9790	0.000	1	119.4958	1.445	32	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	121.0450	0.000	1	119.4958	1.445	32	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	119.4580	0.870	2	119.4958	1.445	32	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,2|H<1>,4|C<3>}	119.2685	0.094	2	119.4958	1.445	32	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	119.6103	1.310	4	119.4958	1.445	32	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|H<1>,4|C<3>}	119.2720	2.455	2	119.4958	1.445	32	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	119.0475	0.968	2	119.4958	1.445	32	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	120.2035	1.920	2	119.4958	1.445	32	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,2|H<1>,4|C<3>}	119.4045	0.713	2	119.4958	1.445	32	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,4|C<3>}	119.1760	1.353	6	119.4958	1.445	32	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|H<1>,4|C<3>}	119.2330	2.031	2	119.4958	1.445	32	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	119.4282	1.214	6	119.4958	1.445	32	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	119.2062	1.244	4	119.1118	1.088	6	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	118.9230	0.829	2	119.1118	1.088	6	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	119.6495	0.076	2	119.4759	1.115	36	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	119.4564	1.114	26	119.4759	1.115	36	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	119.6260	1.047	2	119.4759	1.115	36	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	119.4527	1.163	6	119.4759	1.115	36	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	120.3610	0.000	1	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	120.2460	0.000	1	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	121.1620	0.000	1	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	119.7370	1.560	2	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	119.8815	0.852	2	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	120.0060	1.063	2	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	119.9530	0.457	2	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	119.6300	1.045	2	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.8575	0.583	2	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	119.2485	0.582	2	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	119.8546	0.387	10	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	119.5060	0.652	2	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	119.9040	0.782	4	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	120.0865	0.902	2	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	119.3210	0.140	4	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	119.6450	0.493	4	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	120.1131	0.796	26	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	119.5735	2.155	2	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.4995	0.906	2	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	119.8778	0.473	38	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	119.8488	0.479	6	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	119.9707	0.394	4	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	119.6415	0.634	48	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	119.8607	0.626	12	119.8240	0.416	181	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	120.3520	0.000	1	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	120.2300	0.000	1	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	120.1540	0.000	1	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	120.0445	0.448	2	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.8168	0.918	10	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.2518	0.219	4	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.5800	1.075	2	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<3>,2|C<3>,2|H<1>}	119.7175	0.121	2	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	119.7650	0.407	4	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.2570	0.144	2	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.4210	0.191	4	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.7370	0.612	2	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<3>,2|C<3>,2|H<1>}	119.2625	0.808	2	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.7450	0.620	22	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.8615	0.616	2	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.5387	0.475	6	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.6690	0.543	2	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.7048	0.478	4	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.6582	0.824	4	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.6552	0.561	34	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.7260	1.160	2	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	119.8005	1.015	2	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.8116	0.697	18	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.6434	0.775	8	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	119.4955	0.282	2	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.4108	0.793	4	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.6048	0.438	17	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	119.3298	0.974	10	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.4537	0.573	52	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	118.9860	0.000	1	119.6073	0.382	227	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	119.6935	1.409	2	119.2765	0.690	6	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	119.1105	0.158	2	119.2765	0.690	6	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	119.0255	0.954	2	119.2765	0.690	6	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|I<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	118.2100	0.000	1	119.5150	1.286	3	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	120.1675	0.129	2	119.5150	1.286	3	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	120.1050	0.000	1	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	120.3940	0.000	1	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	119.2635	0.859	2	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.9622	1.578	10	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	120.2140	2.690	2	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	120.3655	3.263	2	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	119.9080	2.093	2	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.7335	2.054	2	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	120.0118	1.000	6	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	119.6745	1.272	2	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	119.3130	0.692	2	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.6680	1.349	2	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	119.3745	1.143	2	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	120.3000	1.457	2	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.6867	1.269	6	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.0625	1.579	4	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.2905	0.275	4	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.8026	1.038	42	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	119.6838	0.781	12	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|C<3>,3|H<1>}	119.1885	1.327	2	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	119.6950	1.439	8	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	119.9140	0.014	2	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	119.7290	1.433	2	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	119.5660	1.172	2	119.7838	1.279	122	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,2|C<3>,2|H<1>}	119.6810	1.295	2	119.5890	0.571	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,2|C<3>,2|H<1>}	119.4970	0.034	2	119.5890	0.571	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	119.8800	1.225	2	119.8800	1.500	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	119.5267	1.228	7	119.5411	1.502	9	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,5|C<3>}	119.5915	1.722	2	119.5411	1.502	9	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	118.9340	0.129	2	118.9340	0.017	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>,3|C<4>}	119.9250	0.503	2	119.9250	0.253	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	121.1410	0.000	1	119.8841	1.603	271	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	119.6435	2.562	2	119.8841	1.603	271	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	120.0305	0.980	4	119.8841	1.603	271	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	120.0435	0.667	4	119.8841	1.603	271	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	119.5745	0.781	2	119.8841	1.603	271	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	119.8863	2.146	4	119.8841	1.603	271	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	119.9270	2.133	2	119.8841	1.603	271	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	119.9740	1.028	8	119.8841	1.603	271	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.7525	0.721	10	119.8841	1.603	271	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	119.9325	1.290	190	119.8841	1.603	271	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	119.8278	1.384	26	119.8841	1.603	271	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	119.4343	1.327	12	119.8841	1.603	271	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	119.3480	0.677	6	119.8841	1.603	271	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.6047	0.806	6	119.3851	1.049	14	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.2204	1.188	8	119.3851	1.049	14	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	119.3075	0.185	2	119.3075	0.034	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	119.5377	0.536	6	119.5377	0.288	6	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	119.6985	1.132	14	119.4673	0.955	28	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	119.2030	0.527	4	119.4673	0.955	28	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	119.2494	0.869	10	119.4673	0.955	28	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	119.3332	0.616	4	119.3332	0.379	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	119.3725	0.431	2	119.3725	0.185	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	118.9295	0.363	2	118.9295	0.132	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.1435	1.272	2	119.1435	1.618	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,3|C<3>,3|H<1>}	119.1510	1.476	2	119.1510	2.180	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	118.6795	0.500	2	118.6795	0.250	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|H<1>}	119.8702	0.594	25	119.8431	0.973	51	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|H<1>}	119.6325	0.293	2	119.8431	0.973	51	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	119.8482	0.248	6	119.8431	0.973	51	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|H<1>}	119.8273	1.528	18	119.8431	0.973	51	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.3110	0.665	2	119.3088	0.333	16	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.5450	0.262	4	119.3088	0.333	16	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.4913	0.673	4	119.3088	0.333	16	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	118.9540	0.064	2	119.3088	0.333	16	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.2285	0.702	2	119.3088	0.333	16	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	118.9040	1.243	2	119.3088	0.333	16	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	119.5860	1.281	2	119.5318	1.992	10	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	119.5182	1.525	8	119.5318	1.992	10	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.5055	0.619	2	119.5149	0.642	16	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.5050	0.436	2	119.5149	0.642	16	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	118.9800	0.769	2	119.5149	0.642	16	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.6060	0.096	2	119.5149	0.642	16	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.4670	0.423	6	119.5149	0.642	16	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	120.1220	2.495	2	119.5149	0.642	16	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	119.1825	1.908	2	119.1825	3.642	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	119.4465	0.593	2	119.4465	0.352	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.3350	0.000	1	119.9393	1.243	25	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.1068	1.450	4	119.9393	1.243	25	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.7445	1.545	2	119.9393	1.243	25	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.9295	1.650	2	119.9393	1.243	25	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.0120	1.799	2	119.9393	1.243	25	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	119.6540	1.192	2	119.9393	1.243	25	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	120.1555	1.044	2	119.9393	1.243	25	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	119.5675	0.569	2	119.9393	1.243	25	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	120.0425	1.893	2	119.9393	1.243	25	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	120.1680	1.988	2	119.9393	1.243	25	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.9985	1.637	2	119.9393	1.243	25	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	120.0885	0.924	2	119.9393	1.243	25	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	118.6210	0.000	1	119.3896	0.961	41	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.5410	0.000	1	119.3896	0.961	41	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	118.9230	0.119	2	119.3896	0.961	41	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.1340	0.000	1	119.3896	0.961	41	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.1465	1.013	2	119.3896	0.961	41	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.3985	0.678	2	119.3896	0.961	41	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	119.5840	1.509	2	119.3896	0.961	41	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.7915	1.488	2	119.3896	0.961	41	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.4466	1.085	24	119.3896	0.961	41	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.5635	1.825	2	119.3896	0.961	41	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.0725	0.276	2	119.3896	0.961	41	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]Pd)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a]N[5a]Pd)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	121.1225	1.501	2	121.1225	2.254	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.5510	1.309	6	119.1394	0.857	104	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.1415	1.206	6	119.1394	0.857	104	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.2622	0.826	70	119.1394	0.857	104	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	118.6361	0.919	22	119.1394	0.857	104	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	119.9070	2.749	2	119.7523	2.697	6	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	119.6750	1.397	4	119.7523	2.697	6	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]S[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]S[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	119.9000	1.250	4	119.9000	1.563	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	117.6240	0.000	1	119.3786	1.011	11	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	119.5541	0.865	10	119.3786	1.011	11	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.5560	0.000	1	119.5560	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.8290	0.270	2	119.5983	0.875	16	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.6192	1.545	4	119.5983	0.875	16	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.5658	0.728	8	119.5983	0.875	16	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	119.4555	1.423	2	119.5983	0.875	16	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	118.6238	0.256	4	118.6238	0.066	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|I<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	118.1210	0.000	1	118.1210	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	118.9040	0.000	1	118.8570	0.153	6	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	119.1400	0.188	2	118.8570	0.153	6	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	118.9260	0.000	1	118.8570	0.153	6	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	118.5160	0.574	2	118.8570	0.153	6	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	120.6140	0.160	2	120.6140	0.026	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	120.5180	0.898	4	120.4632	0.635	6	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	120.3535	0.848	2	120.4632	0.635	6	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	120.9895	2.331	2	120.9895	5.435	2	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){1|H<1>,1|N<3>,2|C<3>,3|N<2>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	119.3980	0.000	1	119.5094	0.309	9	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){1|H<1>,1|N<3>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	118.9810	0.052	2	119.5094	0.309	9	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	119.0945	0.421	2	119.5094	0.309	9	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	120.0090	0.357	4	119.5094	0.309	9	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])2(H){2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	119.2580	0.000	1	119.2580	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|H<1>}	124.6540	0.000	1	124.6540	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	118.4700	0.501	2	117.9570	0.694	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Se<2>,1|H<1>,3|C<3>}	117.4440	0.882	2	117.9570	0.694	4	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Si)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Si)(C[6a]C[6a]H){1|Si<4>,2|C<3>,3|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|Si<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a]){1|Si<4>,1|H<1>,1|O<1>,2|C<3>}	113.8550	0.000	1	113.8550	0.000	1	119.4992	1.161	1994	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:O[5a]-2:	C[6a](N[5a]C[5a]O[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(O[5a]C[5a])	C[6a](N[5a]C[5a]O[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	119.8640	0.049	2	119.8640	0.002	2	119.8640	0.002	2	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:S[5a]-2:	C[6a](N[5a]C[5a]S[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(S[5a]C[5a])	C[6a](N[5a]C[5a]S[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(S[5a]C[5a]){1|Cl<1>,2|C<3>,3|H<1>}	119.2020	0.641	2	119.2020	0.410	2	119.2020	0.410	2	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|I<1>,4|C<3>}	121.5590	0.000	1	121.5742	0.086	5	121.5742	0.086	5	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|I<1>,2|H<1>,4|C<3>}	121.6610	0.000	1	121.5742	0.086	5	121.5742	0.086	5	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|I<1>,2|H<1>,4|C<3>}	121.5503	0.409	3	121.5742	0.086	5	121.5742	0.086	5	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|C<3>,3|H<1>}	121.5850	0.000	1	121.5850	0.000	1	120.9617	0.218	4	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|I<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(I){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|C<3>,3|H<1>}	120.9200	0.000	1	120.9200	0.000	1	120.9617	0.218	4	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]I)2	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]Cl)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]I)2{1|Cl<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]Cl)(I){1|I<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,2|I<1>}	120.4520	0.000	1	120.4520	0.000	1	120.9617	0.218	4	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]I)2	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]I)2{1|Cl<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(I){1|I<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,2|I<1>}	120.8900	0.000	1	120.8900	0.000	1	120.9617	0.218	4	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])2(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])2(H){1|H<1>,2|N<2>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	121.8630	0.000	1	122.1750	0.058	4	122.1750	0.058	4	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]N[5a]N[6a])2(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]N[5a]N[6a])2(H){1|H<1>,2|N<2>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	122.2790	0.149	3	122.1750	0.058	4	122.1750	0.058	4	119.6056	1.312	2745	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)	C[6a](C[6a]C[5,6a]N[5a])(C[6a]N[6a]H)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[5,6a]N[5a])(C[6a]N[6a]H)(F){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	122.4090	0.000	1	122.4090	0.000	1	122.4090	0.000	1	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]N[5a])(C[6a]N[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5,6a]C[5,6a]C[5])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]N[5a])(C[6a]N[6a]C)(H){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,5|C<3>}	120.1175	0.648	2	120.1175	0.420	2	120.1175	0.420	2	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]Ni)(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|Ni<4>,1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]Ni)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	123.0570	0.000	1	123.0570	0.000	1	123.0570	0.000	1	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	121.8450	0.072	2	121.4935	0.255	8	121.4935	0.255	8	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	121.6860	0.231	4	121.4935	0.255	8	121.4935	0.255	8	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<3>,3|H<1>,6|C<3>}	120.4900	0.000	1	121.4935	0.255	8	121.4935	0.255	8	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	121.0240	0.000	1	121.4935	0.255	8	121.4935	0.255	8	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|N<3>,2|C<3>,2|H<1>}	118.1005	0.056	8	118.1005	0.003	8	118.1005	0.003	8	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6,6a]C[6a]){1|O<2>,3|H<1>,6|C<3>}	120.7540	0.000	1	120.7540	0.000	1	120.7540	0.000	1	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6,6a]H)(H){5|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)2{3|C<3>,3|H<1>}	119.7140	0.000	1	119.7140	0.000	1	119.0957	2.314	10	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|H<1>,1|N<4>,2|C<4>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)2{3|C<3>,3|H<1>}	117.7520	0.000	1	119.1100	3.688	2	119.0957	2.314	10	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)2{3|C<3>,3|H<1>}	120.4680	0.000	1	119.1100	3.688	2	119.0957	2.314	10	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>,3|C<3>}	119.2200	0.881	2	119.2200	0.776	2	119.0957	2.314	10	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)2{3|C<3>,3|H<1>}	115.4920	0.000	1	115.4920	0.000	1	119.0957	2.314	10	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]Br)(C[5a]N[5a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|Br<1>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]Br)(C[5a]N[5a]S){1|H<1>,3|C<3>}	119.7728	0.613	4	119.7728	0.376	4	119.0957	2.314	10	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6,6a]H)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){3|H<1>,7|C<3>}	119.5100	0.000	1	119.5100	0.000	1	119.9170	0.994	5	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){3|H<1>,7|C<3>}	120.3150	0.536	2	120.3150	0.287	2	119.9170	0.994	5	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	119.7225	1.770	2	119.7225	3.133	2	119.9170	0.994	5	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){3|H<1>,5|C<3>}	116.3350	0.000	2	116.3350	0.000	2	117.5920	2.108	4	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){2|H<1>,5|C<3>}	118.8490	0.058	2	118.8490	0.003	2	117.5920	2.108	4	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H){1|H<1>,2|C<4>,5|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	120.4045	0.226	2	120.4045	0.051	2	120.4045	0.051	2	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2){1|H<1>,1|N<2>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){1|N<2>,1|N<3>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	120.2765	0.022	2	120.2765	0.000	2	120.2765	0.000	2	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	119.7855	0.129	2	119.7855	0.017	2	119.7855	0.017	2	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[5a])(H){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	119.6645	0.979	2	119.6645	0.959	2	119.6463	0.481	3	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	119.6100	0.000	1	119.6100	0.000	1	119.6463	0.481	3	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)2(N[5a]C[5a,6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)2(N[5a]C[5a,6a]2){7|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[5a])(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.2785	0.228	2	119.2785	0.052	2	119.2785	0.052	2	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	120.5397	0.387	3	120.5397	0.150	3	121.1819	1.256	11	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H){1|H<1>,1|O<2>,5|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	120.7390	0.961	3	120.7390	0.923	3	121.1819	1.256	11	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<3>,1|N<2>,3|H<1>}	121.2880	0.421	4	121.2880	0.177	4	121.1819	1.256	11	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(N[5a]C[5a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(N[5a]C[5a]2){1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	124.0130	0.000	1	124.0130	0.000	1	121.1819	1.256	11	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|Cl<1>,2|H<1>,3|C<3>}	120.8567	0.481	3	120.8567	0.232	3	120.6045	0.106	16	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,3|C<3>}	120.5280	0.000	1	120.5280	0.000	1	120.6045	0.106	16	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(Cl)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(N[5a]C[5a]2){2|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2){3|Cl<1>,1|O<2>,2|C<3>}	120.3340	0.000	1	120.3340	0.000	1	120.6045	0.106	16	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])2(Cl)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(N[5a]C[5a]2){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])2(Cl){2|Cl<1>,5|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|Cl<1>,2|C<3>,2|H<1>}	120.5673	0.290	11	120.5673	0.084	11	120.6045	0.106	16	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(F)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2){1|Cu<3>,1|F<1>,1|H<1>,3|C<3>}	120.2490	0.000	1	120.2490	0.000	1	121.1942	0.952	5	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a]C[5a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(N[5a]C[5a]2){2|F<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]O)2(C[6a]C[6a]2){2|F<1>,4|C<3>}	121.1765	1.535	2	121.1765	2.357	2	121.1942	0.952	5	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(F)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(F){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|F<1>,3|C<3>}	121.6845	0.274	2	121.6845	0.075	2	121.1942	0.952	5	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5,6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5,6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	118.5145	0.021	2	118.5145	0.000	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	118.8675	0.432	2	118.8675	0.187	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	119.4760	0.989	2	119.4760	0.977	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	121.1990	0.000	1	121.1990	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	118.6330	0.301	3	118.6330	0.091	3	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	117.0530	0.000	1	117.0530	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	116.9573	0.800	3	116.9573	0.640	3	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	117.6980	0.000	1	117.3675	0.218	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	117.0370	0.000	1	117.3675	0.218	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	120.3815	0.100	2	120.3815	0.010	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	115.5780	0.000	1	115.5780	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	119.8690	0.000	1	119.8690	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	119.5530	0.065	2	119.5530	0.004	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	119.1210	0.000	1	118.6825	0.385	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	118.2440	0.000	1	118.6825	0.385	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	113.8860	0.000	1	113.8860	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	119.1030	0.000	1	119.1030	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	119.5330	0.000	1	118.0650	4.310	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	116.5970	0.000	1	118.0650	4.310	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	118.4990	0.000	1	118.4990	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|Cl<1>,2|H<1>,3|C<3>}	120.0807	0.185	3	120.0807	0.034	3	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|Cl<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,3|C<3>}	119.1080	0.000	1	119.1080	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2){1|Cu<3>,1|F<1>,1|H<1>,3|C<3>}	120.8510	0.000	1	120.8510	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	118.5450	0.000	1	118.5450	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	121.6510	0.000	1	121.6510	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|N<3>}	118.7368	0.131	10	118.7368	0.017	10	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>}	117.1910	0.000	1	117.1910	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|N<2>,1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	117.4800	0.000	1	117.4800	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	118.6510	0.000	1	118.6510	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,3|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>}	118.9450	0.000	1	118.9450	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	119.1470	0.000	1	119.1470	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){2|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	120.2790	0.000	1	120.2790	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|O<2>,2|C<3>,3|H<1>}	121.2235	0.455	2	121.2235	0.207	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|I<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	121.3510	0.000	1	121.3510	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	120.3685	0.909	2	120.3685	0.826	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>}	120.4970	0.000	1	120.4970	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	120.1960	0.000	1	120.4880	0.171	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>}	120.7800	0.000	1	120.4880	0.171	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<3>,2|N<2>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>}	119.3080	0.000	1	119.3080	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])2(H){1|H<1>,1|O<2>,5|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	118.8580	0.000	1	118.8580	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.0000	0.000	1	121.0000	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.4930	0.670	6	119.4930	0.449	6	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	120.6730	0.000	1	120.6730	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	119.0418	0.647	4	119.0418	0.419	4	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|H<1>,2|C<3>,2|C<4>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	120.1350	0.000	1	120.1350	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	118.9810	0.000	1	119.0233	0.006	3	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	119.1100	0.000	1	119.0233	0.006	3	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	118.9790	0.000	1	119.0233	0.006	3	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	120.1880	0.000	1	120.1880	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a]C[5,5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.6000	0.000	1	119.6000	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	119.2580	0.000	1	119.2580	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	118.4890	0.000	1	118.4890	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(H)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|F<1>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	120.9460	0.000	1	120.9460	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5,5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.3410	0.000	1	119.3410	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.9130	0.847	2	119.9130	0.718	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|S<2>}	120.0745	0.418	2	120.3170	0.189	20	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|S<2>}	120.3920	0.267	2	120.3170	0.189	20	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|S<2>}	120.1502	0.685	4	120.3170	0.189	20	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|S<2>}	120.3899	0.409	10	120.3170	0.189	20	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	120.4540	0.298	2	120.3170	0.189	20	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	120.1405	0.554	2	120.1405	0.307	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.5810	0.074	2	119.5810	0.005	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.7290	0.399	2	119.7290	0.159	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.5260	1.591	2	119.5260	2.531	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	119.4175	0.237	2	119.4175	0.056	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]2)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)2(C[6a]C[6a]2){2|S<2>,4|C<3>,4|H<1>}	119.1460	0.748	6	119.1460	0.560	6	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Br<1>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	119.2606	0.523	12	119.2606	0.273	12	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]Br)(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]Br)(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	121.0405	3.279	2	120.2392	4.507	4	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]Br)(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]Br)(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	119.4380	0.450	2	120.2392	4.507	4	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	119.5110	2.000	2	119.9600	0.755	24	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.3670	0.881	2	119.9600	0.755	24	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.2095	1.445	2	119.9600	0.755	24	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.9070	1.256	2	119.9600	0.755	24	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	119.6830	0.088	2	119.9600	0.755	24	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.1360	1.065	2	119.9600	0.755	24	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.1570	1.687	2	119.9600	0.755	24	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){3|C<3>,3|H<1>}	120.0962	0.994	4	119.9600	0.755	24	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	119.9730	0.218	2	119.9600	0.755	24	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,4|H<1>}	119.6917	0.372	4	119.9600	0.755	24	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	119.9755	0.155	2	119.9755	0.024	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	119.4930	0.270	2	119.3140	0.129	5	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	119.3345	0.469	2	119.3140	0.129	5	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	118.9150	0.000	1	119.3140	0.129	5	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<4>,2|C<3>,2|H<1>}	119.5730	0.276	2	119.5730	0.076	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	119.7900	0.812	2	119.9010	0.468	4	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	120.0120	0.834	2	119.9010	0.468	4	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	119.9850	0.792	2	119.9850	0.627	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	120.4715	0.822	2	120.0845	0.338	18	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	119.8600	0.356	2	120.0845	0.338	18	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	120.4895	0.248	4	120.0845	0.338	18	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	119.7315	0.777	2	120.0845	0.338	18	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	120.0740	0.256	2	120.0845	0.338	18	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	120.2275	0.585	2	120.0845	0.338	18	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	119.7085	0.782	4	120.0845	0.338	18	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[5])2(C[6a]C[6a]2){2|Fe<10>,2|C<3>,2|H<1>,6|C<4>}	119.6285	0.301	2	119.6285	0.090	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	119.8055	0.342	2	119.7597	0.407	43	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|H<1>,4|C<3>}	120.4270	0.751	2	119.7597	0.407	43	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	119.7805	0.868	2	119.7597	0.407	43	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.0405	0.568	2	119.7597	0.407	43	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	119.7537	0.583	3	119.7597	0.407	43	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	119.8075	0.060	2	119.7597	0.407	43	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,5|C<3>}	119.7680	1.831	2	119.7597	0.407	43	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	119.5970	0.290	2	119.7597	0.407	43	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	119.6200	0.221	8	119.7597	0.407	43	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	119.4645	1.538	2	119.7597	0.407	43	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	119.4245	0.193	2	119.7597	0.407	43	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	119.7755	0.468	4	119.7597	0.407	43	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	120.4955	1.538	2	119.7597	0.407	43	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	119.7645	0.357	2	119.7597	0.407	43	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	119.5365	1.067	2	119.7597	0.407	43	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	119.6308	0.648	4	119.7597	0.407	43	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	120.1700	2.261	2	119.9282	1.780	20	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|I<1>,2|H<1>,5|C<3>}	119.3492	1.057	4	119.9282	1.780	20	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	120.4515	1.376	4	119.9282	1.780	20	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	120.0035	2.155	2	119.9282	1.780	20	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	119.9537	1.674	4	119.9282	1.780	20	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	119.8795	0.153	2	119.9282	1.780	20	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	119.7195	1.985	2	119.9282	1.780	20	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|I<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){3|H<1>,5|C<3>}	119.9035	0.257	2	119.9035	0.066	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.3020	2.444	2	119.3020	5.972	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.7270	0.334	8	119.6485	0.411	52	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.5430	1.252	2	119.6485	0.411	52	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.8337	1.244	4	119.6485	0.411	52	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.7150	0.660	4	119.6485	0.411	52	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.6066	0.612	34	119.6485	0.411	52	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	119.7460	1.065	2	119.7460	1.134	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	120.2510	0.262	2	120.2510	0.068	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	120.1368	0.112	4	120.1368	0.013	4	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	119.6910	2.217	2	119.6897	0.859	13	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	119.6040	0.505	2	119.6897	0.859	13	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	119.8798	0.914	6	119.6897	0.859	13	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|I<1>,1|N<3>,2|H<1>,6|C<3>}	119.3775	0.640	2	119.6897	0.859	13	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.3420	0.000	1	119.6897	0.859	13	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	119.8660	0.130	2	120.1106	0.833	14	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	120.4080	2.428	2	120.1106	0.833	14	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	120.3180	0.974	2	120.1106	0.833	14	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.2765	0.234	2	120.1106	0.833	14	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	120.1595	0.739	2	120.1106	0.833	14	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	120.0725	1.249	2	120.1106	0.833	14	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.6740	0.990	2	120.1106	0.833	14	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|P<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(C[6a]C[6a]2){2|C<3>,4|H<1>}	119.4845	0.664	2	119.4845	0.441	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.6175	0.928	2	119.5462	0.880	6	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.5105	1.084	4	119.5462	0.880	6	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	119.3925	0.678	2	119.4143	0.452	30	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	119.7235	0.564	2	119.4143	0.452	30	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	119.1205	0.066	2	119.4143	0.452	30	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	119.7810	0.072	2	119.4143	0.452	30	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	119.3260	0.450	2	119.4143	0.452	30	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	119.4920	0.720	2	119.4143	0.452	30	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<3>,3|H<1>}	119.3755	0.801	18	119.4143	0.452	30	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	119.9510	0.000	1	120.0381	1.295	93	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	120.0983	0.371	6	120.0381	1.295	93	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	120.5250	0.016	2	120.0381	1.295	93	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	119.8450	1.559	38	120.0381	1.295	93	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	120.2226	0.761	42	120.0381	1.295	93	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	119.4100	0.413	2	120.0381	1.295	93	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|S<4>,2|C<3>,2|H<1>}	119.8350	0.624	2	120.0381	1.295	93	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	121.2582	0.618	5	119.9544	1.378	14	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	118.4270	0.000	1	119.9544	1.378	14	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	119.3305	0.591	8	119.9544	1.378	14	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,3|H<1>}	119.4892	0.424	4	119.4892	0.180	4	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|F<1>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	119.0780	0.000	1	119.0780	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|I<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	120.9910	0.000	1	120.4521	0.394	27	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|I<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	120.5050	0.000	1	120.4521	0.394	27	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	120.4180	0.000	1	120.4521	0.394	27	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	119.2765	0.583	2	120.4521	0.394	27	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	120.2874	0.963	5	120.4521	0.394	27	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	120.6522	0.602	4	120.4521	0.394	27	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	120.7255	0.456	2	120.4521	0.394	27	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	120.7567	0.440	4	120.4521	0.394	27	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.7760	0.164	2	120.4521	0.394	27	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	120.3965	0.223	2	120.4521	0.394	27	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	120.3610	0.000	1	120.4521	0.394	27	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.2545	0.271	2	120.4521	0.394	27	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,3|C<3>}	119.5250	2.058	2	119.5250	4.234	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.5250	0.371	2	119.5250	0.137	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	119.2900	0.687	4	119.2900	0.472	4	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.1925	0.377	2	119.1925	0.142	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	119.3905	0.467	2	119.3905	0.218	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2){1|Cu<4>,2|H<1>,3|C<3>}	120.0265	0.631	2	119.1978	1.506	6	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]S)(C[6a]C[6a]2){1|Cu<4>,2|H<1>,3|C<3>}	118.7835	1.300	4	119.1978	1.506	6	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	120.0830	0.464	2	119.3995	2.304	8	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	119.1717	1.713	6	119.3995	2.304	8	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){2|H<1>,3|C<3>}	119.7395	0.998	2	119.2602	0.412	18	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){2|H<1>,3|C<3>}	119.2002	0.605	16	119.2602	0.412	18	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|O<1>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(C[6a]C[6a]2){2|H<1>,3|C<3>}	119.7020	0.129	2	119.2452	0.452	10	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|O<1>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]S)(C[6a]C[6a]2){2|H<1>,3|C<3>}	119.1310	0.710	8	119.2452	0.452	10	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.9993	0.794	4	119.9993	0.631	4	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	119.2090	0.030	2	119.5065	0.538	28	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	119.7011	0.841	8	119.5065	0.538	28	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	119.8845	1.204	2	119.5065	0.538	28	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	119.9835	1.554	2	119.5065	0.538	28	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.6740	0.358	2	119.5065	0.538	28	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	119.2585	0.975	2	119.5065	0.538	28	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.4190	0.293	2	119.5065	0.538	28	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.2145	0.592	8	119.5065	0.538	28	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	119.7280	0.861	2	119.7280	0.742	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.6127	0.406	3	119.6606	0.503	8	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	120.5600	0.107	2	119.6606	0.503	8	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.1705	0.786	2	119.6606	0.503	8	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|H<1>,2|C<3>,2|C<4>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	118.9860	0.000	1	119.6606	0.503	8	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.7375	0.097	2	119.7375	0.009	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.4730	0.000	1	119.3842	0.380	5	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.5460	0.832	2	119.3842	0.380	5	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	119.1780	0.827	2	119.3842	0.380	5	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.1160	0.184	2	119.1160	0.034	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	120.1260	0.000	1	119.5265	0.918	62	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	119.2410	0.000	1	119.5265	0.918	62	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.8930	0.000	1	119.5265	0.918	62	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	119.8165	1.306	2	119.5265	0.918	62	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	119.5490	0.950	2	119.5265	0.918	62	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	119.6475	1.666	6	119.5265	0.918	62	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	119.3500	1.754	2	119.5265	0.918	62	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	119.3490	0.895	2	119.5265	0.918	62	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.3156	0.824	8	119.5265	0.918	62	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	119.7597	1.249	6	119.5265	0.918	62	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	119.5722	1.367	4	119.5265	0.918	62	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.6530	1.465	6	119.5265	0.918	62	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	119.0768	0.428	6	119.5265	0.918	62	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.5747	0.451	15	119.5265	0.918	62	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5,5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5,5a,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	119.8520	0.294	2	119.8520	0.087	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5,5a]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	119.4254	0.448	10	119.4254	0.200	10	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a,6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,6,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	119.4883	0.592	18	119.4883	0.351	18	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	119.9350	0.694	2	119.4728	0.533	28	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	119.5507	0.634	4	119.4728	0.533	28	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	119.4648	0.764	20	119.4728	0.533	28	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,6]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	118.9355	0.759	2	119.4728	0.533	28	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,2|H<1>}	119.3577	1.351	6	119.3577	1.825	6	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,3|H<1>}	119.2790	0.259	2	119.6354	0.421	10	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,3|H<1>}	119.6830	1.666	2	119.6354	0.421	10	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,3|H<1>}	119.8645	0.076	2	119.6354	0.421	10	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,3|H<1>}	119.6300	0.737	2	119.6354	0.421	10	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|H<1>,3|C<3>}	119.7205	0.139	2	119.6354	0.421	10	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	119.0805	1.487	2	119.2512	0.501	16	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|H<1>}	119.2756	0.634	14	119.2512	0.501	16	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	119.6770	0.979	2	119.6770	0.958	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	119.2015	0.237	2	119.7959	0.721	37	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|N<2>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	119.6628	1.343	8	119.7959	0.721	37	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|N<2>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	120.3963	0.414	6	119.7959	0.721	37	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|N<2>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	119.8607	0.676	16	119.7959	0.721	37	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|N<2>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	119.4945	0.063	2	119.7959	0.721	37	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|N<2>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	119.2450	1.112	2	119.7959	0.721	37	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	119.1150	0.000	1	119.7959	0.721	37	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2){1|Ge<4>,2|C<3>,2|H<1>}	119.6157	0.442	4	119.2237	0.386	24	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.0411	0.723	8	119.2237	0.386	24	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	119.3428	0.565	6	119.2237	0.386	24	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.0865	0.624	6	119.2237	0.386	24	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|I<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	120.0170	0.000	1	120.2010	0.068	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|I<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	120.3850	0.000	1	120.2010	0.068	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	120.2117	1.068	6	120.2117	1.141	6	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.0930	1.566	2	119.0930	2.451	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2){3|H<1>,5|C<3>}	118.4895	1.272	2	118.4895	1.618	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	119.0400	0.205	2	118.9295	0.030	4	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	118.8190	0.020	2	118.9295	0.030	4	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,3|H<1>}	118.8590	0.334	2	118.8590	0.111	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	118.9990	0.465	2	118.9990	0.216	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]P)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]P)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	120.1665	0.006	2	120.1665	0.000	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){2|C<4>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	119.0885	1.101	6	119.0885	1.212	6	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])2(H){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	119.5795	2.206	6	119.5795	4.868	6	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])2(H){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	116.8144	1.838	5	117.1805	3.506	6	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])2(H){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	119.0110	0.000	1	117.1805	3.506	6	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])2(H){1|H<1>,1|O<2>,5|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	120.2810	0.000	1	120.2810	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]N[5a,6]Ir)(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Ir<6>,1|O<2>,3|C<3>}	N[5a](C[5a]N[5a,6]Ir)(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	122.3688	0.511	6	122.3688	0.261	6	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	119.8480	0.000	1	119.8480	0.000	1	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,1|P<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	117.1750	0.000	1	117.0287	0.201	3	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	116.9555	0.609	2	117.0287	0.201	3	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<3>,1|N<3>,3|H<1>}	120.2540	0.008	2	120.2540	0.000	2	119.6369	1.050	901	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[5a])(H){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<3>,1|N<3>,3|H<1>}	119.0555	0.504	2	119.0555	0.254	2	119.0555	0.254	2	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[5a])(H){1|N<2>,2|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	118.5920	0.000	1	118.9210	0.216	2	118.2186	0.200	11	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[5a])(H){2|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	119.2500	0.000	1	118.9210	0.216	2	118.2186	0.200	11	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H){1|O<1>,2|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	118.0626	0.268	9	118.0626	0.072	9	118.2186	0.200	11	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.7902	1.210	12	119.7902	1.465	12	119.7517	1.166	15	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.8690	0.000	1	119.5980	0.064	3	119.7517	1.166	15	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.3690	0.000	1	119.5980	0.064	3	119.7517	1.166	15	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.5560	0.000	1	119.5980	0.064	3	119.7517	1.166	15	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N[5a])(H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.8030	0.738	2	119.8030	0.545	2	119.8030	0.545	2	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	120.3425	0.952	2	120.3425	0.907	2	120.2502	1.573	6	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.5740	0.000	1	119.5740	0.000	1	120.2502	1.573	6	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[5a])(H){1|B<3>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	119.0610	0.000	1	119.0610	0.000	1	120.2502	1.573	6	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]S[6a])(C[6a]C[6a]N[5a])(H){1|B<3>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	119.7380	0.000	1	119.7380	0.000	1	120.2502	1.573	6	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]O[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]O[6a]O){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	122.4430	0.000	1	122.4430	0.000	1	120.2502	1.573	6	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.4450	0.000	1	118.7547	1.610	15	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	118.7235	0.412	2	118.7547	1.610	15	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	118.7023	1.409	12	118.7547	1.610	15	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	118.0625	0.452	2	118.4492	0.469	6	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	118.6425	0.751	4	118.4492	0.469	6	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,3|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	118.1960	0.882	2	118.1960	0.779	2	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N[5a])(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.8450	1.136	2	119.8450	1.290	2	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	120.4735	1.217	2	120.1774	0.735	5	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	120.4120	0.000	1	120.1774	0.735	5	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	119.0980	0.000	1	120.1774	0.735	5	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.4300	0.000	1	120.1774	0.735	5	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	120.4890	0.000	1	120.4890	0.000	1	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[5a])(H){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	119.2568	0.475	6	119.2568	0.226	6	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|C<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	118.7005	0.258	4	118.7005	0.067	4	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	119.5790	0.000	1	119.5210	0.007	2	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	119.4630	0.000	1	119.5210	0.007	2	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[5])(H){1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	117.9370	0.000	1	117.9370	0.000	1	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]P[5])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	118.4850	0.000	1	118.4850	0.000	1	119.0062	1.102	45	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[5,6,6a]H)(C[6a]C[6a]N[5a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[5,6,6a]H)(C[6a]C[6a]N[5a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]N[5a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	118.7450	0.369	2	118.7450	0.136	2	118.7450	0.136	2	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.3110	0.000	1	120.3110	0.000	1	119.5242	0.482	6	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[5a])(H){1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.8440	0.000	1	119.8440	0.000	1	119.5242	0.482	6	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H){1|H<1>,2|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.0337	0.646	3	119.2475	0.461	4	119.5242	0.482	6	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.8890	0.000	1	119.2475	0.461	4	119.5242	0.482	6	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]N[5a])(H){1|H<1>,1|O<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.9470	0.000	1	119.9470	0.000	1	120.0501	0.301	9	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[5a])(H){1|H<1>,1|O<1>,1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.2480	0.000	1	120.1230	0.175	3	120.0501	0.301	9	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[5a])(H){1|H<1>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.0605	0.572	2	120.1230	0.175	3	120.0501	0.301	9	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]N[5a])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.7800	0.000	1	119.7800	0.000	1	120.0501	0.301	9	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.0888	0.806	4	120.0888	0.650	4	120.0501	0.301	9	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	120.4660	0.000	1	120.4660	0.000	1	120.4660	0.000	1	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	119.7390	0.000	1	119.7390	0.000	1	120.8070	2.281	2	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,5|C<3>}	121.8750	0.000	1	121.8750	0.000	1	120.8070	2.281	2	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F){1|B<3>,2|C<3>,2|F<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|F<1>,6|C<3>}	121.2561	0.980	8	121.2561	0.961	8	121.4695	0.691	20	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2{1|N<3>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F){1|B<3>,2|C<3>,2|F<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	121.5100	0.857	4	121.5100	0.735	4	121.4695	0.691	20	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]F)2{1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]F)(F){1|B<3>,1|F<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	121.6625	0.711	8	121.6625	0.505	8	121.4695	0.691	20	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2{1|C<4>,1|N<2>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F){2|F<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|F<1>,4|C<3>}	121.2625	0.158	2	121.2625	0.025	2	121.1205	0.378	4	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]F)2{1|H<1>,1|N<2>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]F)(F){1|C<2>,1|F<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|F<1>,4|C<3>}	120.9785	1.015	2	120.9785	1.030	2	121.1205	0.378	4	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|C<5>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,4|B<6>,5|C<3>}	119.8987	0.596	24	119.8987	0.355	24	119.8923	0.326	28	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|C<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<6>,3|H<1>,4|B<6>,5|C<3>}	119.8543	0.461	4	119.8543	0.212	4	119.8923	0.326	28	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|B<3>,1|H<1>,2|C<3>}	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	119.6635	0.453	2	119.6635	0.205	2	119.6635	0.205	2	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|Si<4>,3|H<1>,6|C<3>}	120.3305	1.167	4	120.2497	0.952	6	120.2497	0.952	6	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.0880	0.772	2	120.2497	0.952	6	120.2497	0.952	6	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.4950	1.868	2	119.4950	3.490	2	119.4950	3.490	2	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	120.0815	0.593	2	120.0815	0.352	2	119.9010	0.272	42	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,2|S<2>,6|C<3>}	119.7850	0.242	2	119.8648	0.284	4	119.9010	0.272	42	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	119.9445	0.876	2	119.8648	0.284	4	119.9010	0.272	42	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2){1|N<3>,2|S<2>,3|H<1>,4|C<3>}	119.8564	0.539	20	119.8723	0.380	24	119.9010	0.272	42	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2){1|N<3>,2|S<2>,3|H<1>,4|C<3>}	119.9513	1.031	4	119.8723	0.380	24	119.9010	0.272	42	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2){2|S<2>,4|C<3>,4|H<1>}	119.9832	0.314	6	119.9433	0.107	10	119.9010	0.272	42	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,2|S<2>,4|C<3>}	119.9180	0.198	2	119.9433	0.107	10	119.9010	0.272	42	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(C[6a]C[6a]2){2|S<2>,4|C<3>,4|H<1>}	119.8490	0.635	2	119.9433	0.107	10	119.9010	0.272	42	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]2)(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|S<2>,4|C<3>}	119.9275	0.398	2	119.9275	0.158	2	119.9010	0.272	42	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]C[5a,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	119.9140	1.063	2	119.9140	1.131	2	119.9140	1.131	2	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	120.1900	0.024	2	120.1900	0.001	2	119.7026	0.292	8	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	119.7090	0.755	2	119.7090	0.570	2	119.7026	0.292	8	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	119.0605	0.245	2	119.0605	0.060	2	119.7026	0.292	8	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.8510	0.263	2	119.8510	0.069	2	119.7026	0.292	8	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	120.0620	2.551	2	120.0620	6.509	2	120.0365	0.891	62	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	119.8120	0.877	8	119.8120	0.769	8	120.0365	0.891	62	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	119.7705	1.395	4	120.0787	0.852	50	120.0365	0.891	62	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	120.1612	0.848	30	120.0787	0.852	50	120.0365	0.891	62	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	119.7005	2.132	2	120.0787	0.852	50	120.0365	0.891	62	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	120.1062	0.919	10	120.0787	0.852	50	120.0365	0.891	62	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	119.8888	0.795	4	120.0787	0.852	50	120.0365	0.891	62	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<2>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	119.8545	0.354	2	119.8545	0.126	2	120.0365	0.891	62	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])2(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	119.5555	0.445	2	119.3735	3.592	4	119.3735	3.592	4	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])2(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	119.1915	3.232	2	119.3735	3.592	4	119.3735	3.592	4	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	118.9383	0.627	6	118.9383	0.393	6	118.9383	0.393	6	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	118.0510	0.000	1	118.0510	0.000	1	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.0130	1.662	2	120.0130	2.761	2	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	120.7780	0.619	2	120.7780	0.384	2	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	119.2215	0.722	2	119.6500	0.504	4	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	120.0785	0.506	2	119.6500	0.504	4	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	119.7545	0.223	4	119.6661	0.291	36	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.7605	0.193	2	119.6661	0.291	36	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	119.5705	0.264	2	119.6661	0.291	36	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	119.6605	0.635	12	119.6661	0.291	36	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	119.7870	0.763	6	119.6661	0.291	36	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	119.4960	0.923	2	119.6661	0.291	36	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	119.6350	0.199	2	119.6661	0.291	36	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	119.7885	0.692	2	119.6661	0.291	36	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	119.4532	0.508	4	119.6661	0.291	36	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	119.7215	0.511	2	119.8597	0.179	4	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,2|C<4>,5|H<1>}	119.9980	0.447	2	119.8597	0.179	4	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,3|H<1>,4|C<3>}	121.9675	0.661	2	121.9675	0.437	2	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	118.6455	2.973	2	119.1063	3.690	4	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	119.5670	1.175	2	119.1063	3.690	4	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){2|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,3|H<1>,4|C<3>}	118.4250	1.028	2	118.4250	1.057	2	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	119.9425	0.134	2	119.8185	0.119	6	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<5>,1|N<3>,2|H<1>,4|C<3>}	120.0670	0.257	2	119.8185	0.119	6	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Rh<5>,1|N<3>,2|H<1>,4|C<3>}	119.4460	0.279	2	119.8185	0.119	6	119.7107	0.789	63	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	120.1842	0.467	6	120.1842	0.218	6	120.1651	0.258	30	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	120.0050	0.921	2	119.8903	0.287	6	120.1651	0.258	30	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	119.8330	0.428	4	119.8903	0.287	6	120.1651	0.258	30	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	119.9660	0.220	4	119.9660	0.048	4	120.1651	0.258	30	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|Ir<5>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	120.0545	0.824	4	120.0545	0.678	4	120.1651	0.258	30	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]O)(C[6a]C[6a]2){3|H<1>,5|C<3>}	120.4830	0.393	8	120.4830	0.154	8	120.1651	0.258	30	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	120.2805	0.435	2	120.2805	0.189	2	120.1651	0.258	30	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,5|C<3>}	120.3925	1.206	4	120.3925	1.455	4	120.3925	1.455	4	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	119.7627	1.231	4	119.7627	1.515	4	119.7180	1.154	6	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	119.6285	1.095	2	119.6285	1.200	2	119.7180	1.154	6	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5,6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.1110	0.000	1	119.8437	0.744	6	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5,6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.1943	0.865	4	119.8437	0.744	6	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5,6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.1740	0.000	1	119.8437	0.744	6	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.5240	0.000	1	120.3810	0.430	9	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.6360	0.000	1	120.3810	0.430	9	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.6745	0.706	4	120.3810	0.430	9	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6,6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.3770	0.000	1	120.3810	0.430	9	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6,6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.0970	0.587	2	120.3810	0.430	9	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	118.7775	1.320	2	118.3768	0.396	8	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	118.2432	0.346	6	118.3768	0.396	8	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,3|H<1>,6|C<3>}	117.2270	0.000	1	117.2270	0.000	1	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,3|H<1>,6|C<3>}	120.5780	0.178	2	119.1720	1.347	6	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	118.3330	0.000	1	119.1720	1.347	6	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	118.5143	0.612	3	119.1720	1.347	6	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N[6])(H){1|C<2>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,3|H<1>,6|C<3>}	120.1279	0.412	10	120.1279	0.170	10	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){1|C<2>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,3|H<1>,6|C<3>}	120.5150	0.000	1	120.5150	0.000	1	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	119.6750	0.000	1	119.6750	0.000	1	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]B)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|B<3>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]B)(H){1|H<1>,1|P<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	117.4740	0.000	1	117.2815	0.074	2	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]B)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|B<3>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]B)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	117.0890	0.000	1	117.2815	0.074	2	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	118.0255	1.059	2	118.0255	1.121	2	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	118.7193	1.086	3	118.7193	1.179	3	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<2>,1|O<2>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.8500	0.000	1	120.8500	0.000	1	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	119.4570	0.000	1	119.4570	0.000	1	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.5117	0.330	7	119.4926	0.096	8	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.3590	0.000	1	119.4926	0.096	8	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]B)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|B<3>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]B)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.7580	0.000	1	119.7580	0.000	1	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	118.9890	0.000	1	119.4087	1.000	3	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|Br<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.6185	1.317	2	119.4087	1.000	3	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	119.1120	0.000	1	119.1120	0.000	1	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.0140	0.035	2	120.1816	0.263	31	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.9750	0.079	2	120.1816	0.263	31	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	121.4320	0.000	1	120.1816	0.263	31	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.8010	0.278	4	120.1816	0.263	31	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.2290	0.861	2	120.1816	0.263	31	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.4017	0.570	12	120.1816	0.263	31	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.9672	0.111	8	120.1816	0.263	31	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.6565	2.123	2	119.6565	4.509	2	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	119.6875	0.484	4	119.6875	0.234	4	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	119.9260	0.000	1	119.9337	0.206	12	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	119.7540	0.000	1	119.9337	0.206	12	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	120.0285	0.542	4	119.9337	0.206	12	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	120.1145	0.493	2	119.9337	0.206	12	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	119.7485	0.906	2	119.9337	0.206	12	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.8425	0.326	2	119.9337	0.206	12	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|B<3>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.2640	0.000	1	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.5020	0.000	1	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.0990	0.523	2	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	118.8500	0.000	1	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.0970	0.000	1	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.6002	0.512	6	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.8680	0.000	1	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.5030	0.000	1	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.2040	0.501	9	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|Ir<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.8630	1.135	5	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.0415	0.523	12	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.4356	0.725	8	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.0037	0.227	4	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.1702	0.397	30	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.1057	0.633	14	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.9095	0.240	2	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.1670	0.596	53	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.1753	0.563	8	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.6590	0.027	2	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.1295	0.614	4	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.9502	0.176	4	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.1385	0.792	187	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.0830	0.780	4	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.2259	0.543	12	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Te<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.2165	0.986	2	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.9203	0.431	78	120.0918	0.428	452	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|I<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.4582	0.260	4	119.4582	0.067	4	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Ir)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|Ir<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Ir)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.4744	1.465	5	119.4744	2.146	5	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.6120	0.000	1	119.6367	1.186	3	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.6490	1.540	2	119.6367	1.186	3	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.7285	0.637	2	119.7742	0.290	32	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.7013	0.264	4	119.7742	0.290	32	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){1|C<2>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.5580	0.000	1	119.7742	0.290	32	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.1427	0.230	6	119.7742	0.290	32	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|I<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.0132	0.296	4	119.7742	0.290	32	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.4952	0.565	13	119.7742	0.290	32	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	120.3035	1.155	2	119.7742	0.290	32	119.9912	0.544	609	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	118.1670	0.000	1	118.1670	0.000	1	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	117.8970	0.000	1	117.8970	0.000	1	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	120.0970	0.000	1	119.4090	0.947	2	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	118.7210	0.000	1	119.4090	0.947	2	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	118.6150	0.000	1	118.6150	0.000	1	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	118.7670	0.000	1	118.7670	0.000	1	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	118.9110	0.000	1	118.9110	0.000	1	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	120.3450	0.000	1	120.3450	0.000	1	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,5|C<3>}	118.9100	0.000	1	118.9100	0.000	1	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	120.1410	0.000	1	119.7665	0.281	2	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	119.3920	0.000	1	119.7665	0.281	2	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	115.6700	0.000	2	117.0450	5.672	3	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	119.7950	0.000	1	117.0450	5.672	3	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	120.5020	0.000	1	120.5020	0.000	1	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	121.5580	0.000	1	121.0063	0.260	3	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	120.7305	0.251	2	121.0063	0.260	3	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	120.2340	0.000	1	120.2340	0.000	1	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,3|H<1>}	120.2920	0.000	2	120.2920	0.000	2	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.2210	0.320	2	119.2210	0.102	2	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	118.6880	0.000	1	118.6880	0.000	1	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	118.0850	0.000	1	118.0850	0.000	1	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	118.8030	1.337	4	118.8030	1.789	4	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	119.7445	0.312	2	119.9598	0.119	6	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	120.0675	0.346	4	119.9598	0.119	6	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.9015	0.056	2	119.6533	0.063	6	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	119.5293	0.205	4	119.6533	0.063	6	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	119.9032	1.489	6	119.8099	1.783	8	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	119.5300	1.088	2	119.8099	1.783	8	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.4030	1.225	2	119.5893	0.516	136	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.2125	0.336	2	119.5893	0.516	136	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.9204	0.491	22	119.5893	0.516	136	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	120.0090	0.387	2	119.5893	0.516	136	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.8705	0.358	6	119.5893	0.516	136	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.7320	0.629	6	119.5893	0.516	136	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	119.4899	0.765	96	119.5893	0.516	136	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.6350	0.257	2	119.6350	0.066	2	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<2>,1|O<2>,3|H<1>,5|C<3>}	119.4095	1.223	2	119.4095	1.495	2	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	119.6840	0.263	2	119.9057	0.439	18	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	120.1185	0.433	2	119.9057	0.439	18	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	120.0403	1.340	4	119.9057	0.439	18	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	119.9305	0.736	2	119.9057	0.439	18	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	120.0335	0.391	2	119.9057	0.439	18	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	119.5692	0.229	4	119.9057	0.439	18	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	120.1655	0.298	2	119.9057	0.439	18	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	120.1090	0.010	2	119.8025	0.126	4	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	119.4960	0.040	2	119.8025	0.126	4	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	120.3710	1.177	2	119.9769	0.649	14	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,4|H<1>,5|C<3>}	120.3490	0.629	4	119.9769	0.649	14	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	119.4430	0.232	2	119.9769	0.649	14	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,4|H<1>,5|C<3>}	119.7455	1.125	4	119.9769	0.649	14	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	119.8355	0.571	2	119.9769	0.649	14	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	120.0503	1.339	4	119.7602	1.792	14	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.5325	1.553	8	119.7602	1.792	14	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	120.0910	0.232	2	119.7602	1.792	14	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){4|C<3>,4|H<1>}	120.4705	0.477	2	120.4705	0.228	2	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	120.1980	1.481	2	119.9530	0.673	6	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	119.8605	0.531	2	119.9530	0.673	6	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	119.8005	0.841	2	119.9530	0.673	6	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(C[6a]C[6a]2){4|C<3>,4|H<1>}	119.6910	0.709	2	119.6910	0.502	2	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.9125	0.268	2	119.5598	0.313	97	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.4843	0.434	8	119.5598	0.313	97	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	120.4050	1.377	2	119.5598	0.313	97	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.7488	0.902	8	119.5598	0.313	97	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.7428	0.990	4	119.5598	0.313	97	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.5725	0.005	2	119.5598	0.313	97	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	119.4230	0.137	2	119.5598	0.313	97	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	119.4270	0.484	2	119.5598	0.313	97	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.5072	0.485	67	119.5598	0.313	97	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	121.2020	0.000	1	121.2020	0.000	1	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	120.0042	0.305	4	119.9191	0.270	16	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	119.8865	1.051	2	119.9191	0.270	16	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	119.8020	0.509	4	119.9191	0.270	16	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	119.9512	0.599	6	119.9191	0.270	16	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	119.6375	0.101	2	119.6750	0.011	4	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	119.7125	0.131	2	119.6750	0.011	4	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	118.8625	0.388	4	118.8625	0.151	4	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.8320	0.607	2	119.6633	0.268	4	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.4945	0.568	2	119.6633	0.268	4	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.9510	1.802	2	119.8821	0.996	16	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	120.1492	0.981	4	119.8821	0.996	16	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.8705	1.471	2	119.8821	0.996	16	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.8785	1.797	2	119.8821	0.996	16	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	119.9905	1.056	2	119.8821	0.996	16	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	119.5337	0.706	4	119.8821	0.996	16	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.0185	0.204	4	119.7625	0.203	6	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.2505	0.323	2	119.7625	0.203	6	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.3630	0.000	1	119.6515	0.398	11	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.4015	1.148	2	119.6515	0.398	11	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.7460	0.192	2	119.6515	0.398	11	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.8755	1.039	2	119.6515	0.398	11	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.6893	0.636	4	119.6515	0.398	11	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.4915	0.821	2	119.4915	0.674	2	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	119.3410	0.392	2	119.3410	0.153	2	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	119.3595	1.686	6	119.2683	1.628	10	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	119.1315	0.320	4	119.2683	1.628	10	119.6240	0.656	422	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	119.2995	3.460	2	119.2995	11.971	2	119.2995	11.971	2	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.7945	0.729	2	119.7945	0.531	2	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	119.5375	0.878	6	119.6657	1.695	180	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	119.6828	1.404	108	119.6657	1.695	180	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.6461	1.228	48	119.6657	1.695	180	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	119.4961	0.979	8	119.6657	1.695	180	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	119.5740	1.169	4	119.6657	1.695	180	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	119.9267	1.039	4	119.6657	1.695	180	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	119.9405	1.645	2	119.6657	1.695	180	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	120.1945	0.292	2	119.7219	0.364	70	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	119.9800	1.167	4	119.7219	0.364	70	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.5645	0.484	2	119.7219	0.364	70	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	119.4985	0.221	2	119.7219	0.364	70	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	119.6115	0.680	2	119.7219	0.364	70	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	119.7157	0.632	4	119.7219	0.364	70	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	120.0703	0.196	4	119.7219	0.364	70	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	119.7276	0.534	30	119.7219	0.364	70	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,2|C<4>,2|H<1>}	119.6021	0.694	14	119.7219	0.364	70	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	119.3930	0.641	4	119.7219	0.364	70	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	119.9495	0.996	2	119.7219	0.364	70	119.6823	1.311	252	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	119.7339	0.502	8	119.7577	0.314	10	119.7577	0.314	10	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	119.8530	1.021	2	119.7577	0.314	10	119.7577	0.314	10	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](N[5a]C[5a]Pd)(C[5a]C[5a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Pd<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]Pd)(C[5a]C[5a]O)(C[6a]C[6a]2){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	120.0395	0.825	2	120.0395	0.681	2	120.0395	0.681	2	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N[5a])(H){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[5a]C[5a]H){3|H<1>,5|C<3>}	122.4160	0.000	1	122.4160	0.000	1	122.4160	0.000	1	119.7646	0.956	2672	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[5a]-4:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]B[5a]C[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(B[5a]O[5a]FF)(C[5a]C[5a]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[5a]B[5a]C[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(B[5a]O[5a]FF)(C[5a]C[5a]C){1|H<1>,1|N<2>,3|C<3>}	119.4680	0.000	1	119.4680	0.000	1	119.4680	0.000	1	119.4680	0.000	1	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	4:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-4:N[5a]-2:C[6a]-3:	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.6977	2.535	4	120.4265	4.673	8	120.4265	4.673	8	120.4265	4.673	8	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	4:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-4:N[5a]-2:C[6a]-3:	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6a](N[5a]B[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	120.1552	2.069	4	120.4265	4.673	8	120.4265	4.673	8	120.4265	4.673	8	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Br-1:	B[5a]-4:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Br)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(Br){1|B<4>,2|C<3>,2|H<1>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,8|C<3>}	122.1513	0.288	4	122.1513	0.083	4	122.1513	0.083	4	120.2535	2.243	22	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a,6,6]-4:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a,6,6]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a,6,6]C[6,6]2C[5a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]B[5a,6,6]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a,6,6]C[6,6]2C[5a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	120.2015	4.167	2	120.2015	17.364	2	120.2015	17.364	2	120.2535	2.243	22	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-4:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|B<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,8|C<3>}	118.9250	0.240	4	118.9250	0.057	4	119.7856	0.772	16	120.2535	2.243	22	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-4:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]C[5a]C[6]2)(C[5a]N[5a]N)(C[6a]C[6a]2){1|N<2>,2|C<3>,4|H<1>,5|C<4>}	120.5700	1.457	2	120.5700	2.122	2	119.7856	0.772	16	120.2535	2.243	22	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-4:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	120.0232	0.276	6	119.9729	0.526	10	119.7856	0.772	16	120.2535	2.243	22	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-4:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|B<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	119.7770	1.645	2	119.9729	0.526	10	119.7856	0.772	16	120.2535	2.243	22	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5a]-4:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	120.0180	1.247	2	119.9729	0.526	10	119.7856	0.772	16	120.2535	2.243	22	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OC)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OC){1|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	120.4370	1.137	2	120.4370	1.293	2	120.2141	2.168	33	120.2141	2.168	33	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	120.3495	0.022	2	120.2389	0.486	9	120.2141	2.168	33	120.2141	2.168	33	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	120.2073	0.802	7	120.2389	0.486	9	120.2141	2.168	33	120.2141	2.168	33	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OMg)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OMg){1|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	117.1530	0.000	1	117.1530	0.000	1	120.2141	2.168	33	120.2141	2.168	33	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(ONi)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(ONi){1|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	118.9970	0.000	1	118.9970	0.000	1	120.2141	2.168	33	120.2141	2.168	33	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OPd)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OPd){1|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	119.5100	0.199	2	119.5100	0.040	2	120.2141	2.168	33	120.2141	2.168	33	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OZn)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OZn){1|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	120.2650	0.991	2	118.8100	1.932	6	120.2141	2.168	33	120.2141	2.168	33	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OZn)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OZn){1|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	118.0825	0.881	4	118.8100	1.932	6	120.2141	2.168	33	120.2141	2.168	33	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C[5])(OH)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C[5])(OH){1|C<3>,2|N<2>,2|S<2>,3|H<1>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	120.0980	0.000	1	120.0980	0.000	1	120.2141	2.168	33	120.2141	2.168	33	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	121.6465	0.196	2	121.5371	1.865	7	120.2141	2.168	33	120.2141	2.168	33	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	121.9087	1.599	4	121.5371	1.865	7	120.2141	2.168	33	120.2141	2.168	33	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	119.8320	0.000	1	121.5371	1.865	7	120.2141	2.168	33	120.2141	2.168	33	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	121.1203	1.074	3	121.1203	1.153	3	120.2141	2.168	33	120.2141	2.168	33	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OP)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]N[5a]2){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OP){1|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	121.7930	0.000	1	121.7930	0.000	1	120.2141	2.168	33	120.2141	2.168	33	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]S)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(SC)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]I)(C[6a]C[6a]S)(N[5a]N[5a]2){2|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(SC){1|C<3>,1|H<1>,1|I<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,1|S<2>,2|C<3>,2|H<1>}	119.2190	0.000	1	119.2190	0.000	1	119.2190	0.000	1	119.2190	0.000	1	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	121.0780	0.000	1	121.0780	0.000	1	120.8287	0.246	3	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	120.7040	0.632	2	120.7040	0.400	2	120.8287	0.246	3	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NP)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NP){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	118.2380	0.000	1	118.2380	0.000	1	119.1543	0.974	3	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NN)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NN){2|C<3>,3|N<2>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<2>}	119.6125	0.829	2	119.6125	0.688	2	119.1543	0.974	3	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,4|C<3>}	117.3870	0.000	1	117.3870	0.000	1	119.9819	3.629	20	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	122.0145	0.012	2	120.2545	2.496	6	119.9819	3.629	20	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	118.0680	0.000	1	120.2545	2.496	6	119.9819	3.629	20	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.0360	0.000	1	120.2545	2.496	6	119.9819	3.629	20	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	120.1970	0.115	2	120.2545	2.496	6	119.9819	3.629	20	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.9190	0.000	1	122.1995	5.913	2	119.9819	3.629	20	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.4800	0.000	1	122.1995	5.913	2	119.9819	3.629	20	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a])	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	119.8685	4.655	2	119.8685	21.668	2	119.9819	3.629	20	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|H<1>,5|C<3>}	118.8120	0.000	1	118.8120	0.000	1	119.9819	3.629	20	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	121.2730	0.000	1	121.2730	0.000	1	119.9819	3.629	20	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.4520	1.182	2	119.4155	2.149	4	119.9819	3.629	20	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	118.3790	0.867	2	119.4155	2.149	4	119.9819	3.629	20	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	119.8190	0.658	2	119.8190	0.432	2	119.9819	3.629	20	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(OC)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(OC){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	119.2030	0.000	1	119.2030	0.000	1	119.9819	3.629	20	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(SC)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(SC){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|S<2>,3|C<3>}	120.1870	0.000	1	120.1870	0.000	1	119.5500	0.812	2	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(SC)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(SC){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|S<2>,2|C<3>}	118.9130	0.000	1	118.9130	0.000	1	119.5500	0.812	2	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Se-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(SeC[6a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(SeC[6a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	120.4040	0.444	2	120.8585	1.019	4	120.8585	1.019	4	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Se-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(SeC[6a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(SeC[6a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Se<2>,1|H<1>,3|C<3>}	121.3130	1.426	2	120.8585	1.019	4	120.8585	1.019	4	120.0663	2.667	32	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]2)	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]H)(CC)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]C[5a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]2){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]H)(CC){5|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<2>,2|H<1>,3|C<3>}	119.6970	0.000	1	119.6970	0.000	1	119.6970	0.000	1	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>}	122.0410	0.000	1	122.0410	0.000	1	122.0410	0.000	1	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(OH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])(OH){1|H<1>,6|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	118.3360	0.954	3	118.3360	0.910	3	118.8109	0.701	16	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(N[5a]C[5a]2){2|Cl<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){2|Cl<1>,3|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2){3|Cl<1>,1|O<2>,2|C<3>}	118.5930	0.000	1	118.5930	0.000	1	118.8109	0.701	16	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){2|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	120.2550	0.000	1	120.2550	0.000	1	118.8109	0.701	16	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	120.1420	0.000	1	120.1420	0.000	1	118.8109	0.701	16	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	117.9490	0.269	2	117.9490	0.072	2	118.8109	0.701	16	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>}	118.3520	0.000	1	118.3520	0.000	1	118.8109	0.701	16	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	118.6850	0.000	1	118.6260	0.007	2	118.8109	0.701	16	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>}	118.5670	0.000	1	118.6260	0.007	2	118.8109	0.701	16	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|I<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	118.9120	0.000	1	118.9120	0.000	1	118.8109	0.701	16	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|H<1>}	119.8800	0.000	1	119.8800	0.000	1	118.8109	0.701	16	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|C<3>,2|N<2>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>}	119.7500	0.000	1	119.7500	0.000	1	118.8109	0.701	16	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])2(OMo)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(N[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])2(OMo){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|O<2>,2|C<3>,3|H<1>}	118.4665	0.056	2	118.4665	0.003	2	118.8109	0.701	16	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[5a])2(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])2(CN){2|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	118.4320	0.091	2	118.5716	0.651	8	118.5716	0.651	8	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[5a])2(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){2|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])2(CN){1|C<2>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	118.3428	0.745	5	118.5716	0.651	8	118.5716	0.651	8	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[5a])2(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){2|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])2(CN){1|C<4>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	119.9950	0.000	1	118.5716	0.651	8	118.5716	0.651	8	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,3|H<1>,6|C<3>}	119.6180	0.000	1	119.9107	0.065	3	120.0128	0.626	17	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,3|H<1>,6|C<3>}	120.0570	0.033	2	119.9107	0.065	3	120.0128	0.626	17	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])2(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])2(CN){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,3|H<1>,6|C<3>}	120.0373	0.602	9	120.0373	0.362	9	120.0128	0.626	17	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])2(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2{2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])2(CN){1|C<2>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<2>,2|H<1>,6|C<3>}	120.5850	0.514	4	120.0300	1.738	5	120.0128	0.626	17	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])2(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2{2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])2(CN){1|C<4>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	117.8100	0.000	1	120.0300	1.738	5	120.0128	0.626	17	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(CN){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	121.8765	0.111	2	121.8765	0.012	2	121.8765	0.012	2	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	120.9160	0.000	1	120.9160	0.000	1	120.9160	0.000	1	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	119.9320	0.832	2	119.9320	0.691	2	119.9320	0.691	2	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	119.0200	0.000	1	119.0200	0.000	1	120.4790	1.020	4	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	121.0690	0.000	1	121.0690	0.000	1	120.4790	1.020	4	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	120.9135	0.453	2	120.9135	0.205	2	120.4790	1.020	4	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]O)2{1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|O<2>}	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	120.2487	1.022	3	120.2487	1.045	3	120.1268	0.861	5	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]N[5a])2(OC)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]O)2{1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N[5a])2(OC){2|N<3>,2|O<2>,3|C<3>}	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	119.9440	1.116	2	119.9440	1.245	2	120.1268	0.861	5	119.6243	1.363	57	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5a]N[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|H<1>,4|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	119.3500	0.000	1	119.3500	0.000	1	119.3500	0.000	1	120.9893	0.974	9	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|C<4>,1|N<3>,2|N<2>,3|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0820	0.000	1	121.0820	0.000	1	121.3803	0.497	6	120.9893	0.974	9	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]2)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|C<4>,1|N<3>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]2){2|H<1>,2|N<2>,3|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|N<3>,2|C<3>,3|H<1>}	121.6950	0.000	1	121.6950	0.000	1	121.3803	0.497	6	120.9893	0.974	9	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a]N[5a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a]N[5a]){2|C<3>,3|H<1>,5|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|N<3>,2|C<3>,3|H<1>}	121.3762	0.875	4	121.3762	0.765	4	121.3803	0.497	6	120.9893	0.974	9	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,3|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6360	1.205	2	120.6360	1.452	2	120.6360	1.452	2	120.9893	0.974	9	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	123.1412	0.200	4	123.1412	0.040	4	123.1412	0.040	4	123.1412	0.040	4	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a]N[5a])	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a]N[5a]){2|C<3>,3|H<1>,5|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|C<3>,2|N<3>}	120.8410	0.542	4	120.8410	0.293	4	120.8410	0.293	4	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	120.4990	0.000	1	120.4990	0.000	1	120.4990	0.000	1	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(NOO)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N){2|Cl<1>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(NOO){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	120.1205	0.060	2	120.1205	0.004	2	119.9970	0.543	4	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NHH)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NHH){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	118.9890	0.000	1	118.9890	0.000	1	119.9970	0.543	4	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	120.7580	0.000	1	120.7580	0.000	1	119.9970	0.543	4	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]2)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,3|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]2){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	122.2895	0.200	2	122.2895	0.040	2	122.0350	0.214	3	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	121.5260	0.000	1	121.5260	0.000	1	122.0350	0.214	3	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]Cl){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N){2|Cl<1>,1|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	119.8525	0.530	2	119.8525	0.281	2	120.4852	2.043	10	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	121.9355	1.010	2	121.9355	1.021	2	120.4852	2.043	10	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|I<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|I<1>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	119.7820	0.000	1	119.7820	0.000	1	120.4852	2.043	10	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	122.4040	0.000	1	122.4040	0.000	1	120.4852	2.043	10	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]Cl)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N){2|Cl<1>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]Cl){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	120.5555	0.783	2	120.5555	0.613	2	120.4852	2.043	10	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]N){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	118.9895	1.674	2	118.9895	2.801	2	120.4852	2.043	10	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]C){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	120.8440	0.000	1	120.8440	0.000	1	120.8440	0.000	1	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCH)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	121.1580	0.000	1	121.1580	0.000	1	121.3577	1.031	15	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	120.9895	0.978	2	120.9895	0.956	2	121.3577	1.031	15	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	121.5430	0.000	1	121.5430	0.000	1	121.3577	1.031	15	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	121.6500	0.000	1	121.6500	0.000	1	121.3577	1.031	15	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	121.3760	0.000	1	121.3760	0.000	1	121.3577	1.031	15	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	122.8625	0.436	2	121.8535	1.421	4	121.3577	1.031	15	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	120.8445	0.032	2	121.8535	1.421	4	121.3577	1.031	15	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	121.6100	0.720	2	121.6100	0.518	2	121.3577	1.031	15	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	122.5070	0.000	1	122.5070	0.000	1	121.3577	1.031	15	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	119.7590	0.849	2	119.7590	0.720	2	121.3577	1.031	15	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]C[6]2)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]C[6]2){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	120.4540	0.000	1	120.4540	0.000	1	120.4540	0.000	1	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	120.4075	1.184	2	120.4075	1.403	2	120.8040	0.426	6	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	121.4050	0.000	1	121.1245	0.157	2	120.8040	0.426	6	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	120.8440	0.000	1	121.1245	0.157	2	120.8040	0.426	6	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	120.7390	0.000	1	120.7390	0.000	1	120.8040	0.426	6	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,4|C<3>}	121.0210	0.000	1	121.0210	0.000	1	120.8040	0.426	6	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	121.8050	0.000	1	121.8800	0.011	2	121.8800	0.011	2	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	121.9550	0.000	1	121.8800	0.011	2	121.8800	0.011	2	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	121.3240	0.000	1	121.3240	0.000	1	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.2630	0.000	1	120.2630	0.000	1	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	119.6445	0.189	2	119.6445	0.036	2	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	122.1390	0.652	2	122.1390	0.425	2	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]C)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]C){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	121.0500	0.000	1	121.0500	0.000	1	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7640	0.000	1	120.3987	1.753	6	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	120.3256	1.467	5	120.3987	1.753	6	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]Re)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]Re){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.5990	0.000	1	122.5990	0.000	1	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	119.4810	0.000	1	119.4810	0.000	1	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHS)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHS){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	122.0520	0.000	1	122.0520	0.000	1	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHS)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHS){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	121.3640	0.000	1	121.3640	0.000	1	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	121.7960	0.038	2	121.7960	0.001	2	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|Fe<10>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	124.1380	0.000	1	124.1380	0.000	1	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	123.0740	0.000	1	123.0740	0.000	1	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.1725	0.429	2	123.3404	0.816	7	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	124.0495	0.664	2	123.3404	0.816	7	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	123.5995	0.494	2	123.3404	0.816	7	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	123.7400	0.000	1	123.3404	0.816	7	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	124.3440	0.000	1	121.5290	1.518	15	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	122.9740	0.225	2	121.5290	1.518	15	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	121.0536	0.762	12	121.5290	1.518	15	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	121.7370	0.000	1	121.7355	0.000	2	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	121.7340	0.000	1	121.7355	0.000	2	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	122.0460	0.000	1	122.2220	0.062	2	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	122.3980	0.000	1	122.2220	0.062	2	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NHH)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NHH){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	117.9265	0.272	4	117.9265	0.074	4	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	120.3385	0.033	2	120.3385	0.001	2	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2	C[6a](C[6a]C[6a]N[5a])2(NOO)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]N)2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])2(NOO){2|N<2>,2|N<3>,3|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	120.7046	0.761	12	120.7046	0.579	12	121.2303	2.430	65	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	120.6400	0.519	3	120.6400	0.269	3	120.3768	0.456	4	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	119.5870	0.000	1	119.5870	0.000	1	120.3768	0.456	4	121.0908	1.853	116	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]N)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]N){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	119.9070	0.000	1	119.9070	0.000	1	120.9534	0.649	7	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]N)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]N){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	119.8590	0.000	1	119.8590	0.000	1	120.9534	0.649	7	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	121.1310	0.188	2	121.1310	0.035	2	120.9534	0.649	7	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	121.0090	0.000	1	121.0090	0.000	1	120.9534	0.649	7	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN[5]O)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN[5]O){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	121.7770	0.000	1	121.7770	0.000	1	120.9534	0.649	7	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	121.8600	0.000	1	121.8600	0.000	1	120.9534	0.649	7	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	120.4380	0.000	1	120.4380	0.000	1	120.4380	0.000	1	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC)	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)2(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	118.6540	0.000	1	118.6540	0.000	1	119.7903	2.685	23	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|N<2>,1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	121.3110	0.000	1	121.3110	0.000	1	119.7903	2.685	23	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	122.3600	0.000	1	122.3600	0.000	1	119.7903	2.685	23	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]C)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>}	120.3670	0.000	1	120.3670	0.000	1	119.7903	2.685	23	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	121.0480	0.000	1	121.0480	0.000	1	119.7903	2.685	23	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|N<3>}	119.3026	0.253	10	119.3026	0.064	10	119.7903	2.685	23	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){2|C<3>,3|N<3>}	120.3755	1.365	2	120.3755	1.864	2	119.7903	2.685	23	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|N<3>}	123.2590	0.000	1	123.2590	0.000	1	119.7903	2.685	23	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|H<1>,1|N<2>,2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){2|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2){2|C<3>,3|N<3>}	118.7125	1.265	2	118.7125	1.600	2	119.7903	2.685	23	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|H<1>,1|N<2>,2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){2|N<3>,3|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|N<3>}	119.4095	4.747	2	118.9920	11.789	3	119.7903	2.685	23	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(N[5a]C[5a]2){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){2|N<3>,3|C<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|N<3>}	118.1570	0.000	1	118.9920	11.789	3	119.7903	2.685	23	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2){1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]2){1|H<1>,1|N<2>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	118.4275	0.104	2	118.4275	0.011	2	118.4275	0.011	2	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,1|P<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,1|P<3>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	123.7050	0.000	1	123.5250	0.083	3	123.5250	0.083	3	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,1|P<4>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	123.4350	0.342	2	123.5250	0.083	3	123.5250	0.083	3	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a,6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a,6a]2){2|C<2>,9|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){2|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	120.4727	0.650	6	120.4727	0.423	6	120.4727	0.423	6	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	122.2490	0.000	1	122.2490	0.000	1	122.2490	0.000	1	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.8208	0.711	4	121.8208	0.506	4	121.8208	0.506	4	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])2(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])2(C[5a]N[5a]2){2|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.1410	0.061	2	120.9827	0.076	4	120.9827	0.076	4	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])2(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,3|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])2(C[5a]N[5a]2){2|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.8245	0.354	2	120.9827	0.076	4	120.9827	0.076	4	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]2){2|H<1>,2|N<2>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]2){1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	119.6230	0.000	1	119.6230	0.000	1	119.6230	0.000	1	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){2|H<1>,2|O<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	120.1880	0.000	1	120.1880	0.000	1	120.1880	0.000	1	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){2|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a,6a]2){1|C<2>,1|C<4>,9|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	121.1670	0.000	1	121.2043	0.954	7	121.2043	0.954	7	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){2|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a,6a]2){1|C<2>,1|C<4>,9|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	119.4490	0.000	1	121.2043	0.954	7	121.2043	0.954	7	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a,6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){2|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a,6a]2){2|C<2>,9|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	121.5628	0.707	5	121.2043	0.954	7	121.2043	0.954	7	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[5,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	121.3245	0.642	11	121.3245	0.412	11	121.6260	0.466	27	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]2){2|H<1>,2|N<2>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	120.7610	0.000	1	120.7610	0.000	1	121.6260	0.466	27	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	122.6450	0.238	2	122.6450	0.056	2	121.6260	0.466	27	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]2){2|H<1>,2|N<2>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	121.2050	0.000	1	121.2050	0.000	1	121.6260	0.466	27	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	122.0203	0.591	4	121.8396	0.307	12	121.6260	0.466	27	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	122.6270	0.000	1	121.8396	0.307	12	121.6260	0.466	27	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	121.5982	0.496	6	121.8396	0.307	12	121.6260	0.466	27	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	121.7780	0.000	1	121.8396	0.307	12	121.6260	0.466	27	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(BC[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]B)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(BC[6a]2){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,3|H<1>,6|C<3>}	120.9490	0.000	1	120.9490	0.000	1	120.9490	0.000	1	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCC)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Sn<3>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCC){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	118.5860	0.000	1	118.5860	0.000	1	118.5860	0.000	1	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.7300	0.000	1	120.7300	0.000	1	121.7877	0.848	3	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	122.3165	0.135	2	122.3165	0.018	2	121.7877	0.848	3	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.8870	0.000	1	121.8870	0.000	1	121.6830	0.293	3	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CNO){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	122.0930	0.000	1	122.0930	0.000	1	121.6830	0.293	3	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	121.0690	0.000	1	121.0690	0.000	1	121.6830	0.293	3	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.9800	0.000	1	121.0280	0.757	6	120.9210	1.211	8	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	122.2410	0.000	1	121.0280	0.757	6	120.9210	1.211	8	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.4868	0.279	4	121.0280	0.757	6	120.9210	1.211	8	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])2(C[6a]C[6a]2){2|C<2>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	120.6000	2.103	2	120.6000	4.422	2	120.9210	1.211	8	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	122.3250	0.000	1	122.3250	0.000	1	122.3250	0.000	1	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCS){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	123.5170	0.000	2	123.5170	0.000	2	122.0940	3.313	7	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NHH){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	118.7620	0.000	1	118.7620	0.000	1	122.0940	3.313	7	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	122.9370	0.000	1	122.9370	0.000	1	122.0940	3.313	7	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	121.6590	0.000	1	121.6590	0.000	1	122.0940	3.313	7	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|N<3>,6|C<3>}	122.1330	1.956	2	122.1330	3.825	2	122.0940	3.313	7	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.6790	0.407	2	118.6790	0.166	2	118.6790	0.166	2	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|B<3>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PCC){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	121.2360	0.000	1	121.2360	0.000	1	120.7213	0.364	3	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6]2){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	120.8710	0.000	1	120.8710	0.000	1	120.7213	0.364	3	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	120.0570	0.000	1	120.0570	0.000	1	120.7213	0.364	3	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[5,6,6a]H)(C[6a]C[6a]N[5a])	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[5,6,6a]H)(C[6a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[5,6,6a]H)(C[6a]C[6a]N[5a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[5,6,6a]H)(C[6a]C[6a]N[5a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	120.0465	0.766	2	120.0465	0.586	2	120.1274	0.361	8	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	120.0890	0.628	2	120.1543	0.385	6	120.1274	0.361	8	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<5>,1|N<3>,2|H<1>,4|C<3>}	119.6865	0.661	2	120.1543	0.385	6	120.1274	0.361	8	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Rh<5>,1|N<3>,2|H<1>,4|C<3>}	120.6875	0.284	2	120.1543	0.385	6	120.1274	0.361	8	120.9113	1.951	124	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	2:2:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){2|C<4>,4|C<3>}	118.1215	0.693	4	118.1215	0.480	4	118.1215	0.480	4	118.1215	0.480	4	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,2|C<3>,3|H<1>}	122.8580	0.000	1	122.8580	0.000	1	119.5845	2.944	8	119.5845	2.944	8	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]C)2(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]C)2(N[5a]N[5a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|Ir<6>,1|N<2>,2|C<3>,2|C<4>}	118.2922	0.601	4	118.2922	0.361	4	119.5845	2.944	8	119.5845	2.944	8	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3){1|C<3>,2|N<2>,2|N<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.2770	0.953	2	120.2163	0.465	3	119.5845	2.944	8	119.5845	2.944	8	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:2:2:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]2){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3){1|C<3>,2|N<2>,2|N<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.0950	0.000	1	120.2163	0.465	3	119.5845	2.944	8	119.5845	2.944	8	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5,6a]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5a])(CC[6a]HO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5a])(CC[6a]HO){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	120.8210	0.000	1	120.8210	0.000	1	120.8210	0.000	1	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[6a]-3:As[5a]-2:	C[6a](N[5a]C[5,5a]As[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a])	C[6a](N[5a]C[5,5a]As[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH){1|As<2>,2|C<3>,2|H<1>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	119.7323	0.691	6	119.7323	0.478	6	118.9968	2.104	10	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[6a]-3:As[5a]-2:	C[6a](N[5a]C[5,5a]As[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a])	C[6a](N[5a]C[5,5a]As[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|As<2>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(As[5a]N[5a]){2|C<4>,6|C<3>}	117.8935	1.676	4	117.8935	2.809	4	118.9968	2.104	10	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|C<4>,4|C<3>}	118.2150	0.528	2	118.3700	0.260	8	118.3700	0.260	8	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,5a]N[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|C<4>}	118.4217	0.543	6	118.3700	0.260	8	118.3700	0.260	8	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	120.3370	0.000	1	120.3370	0.000	1	119.5135	0.588	4	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	119.9930	0.000	1	119.9930	0.000	1	119.5135	0.588	4	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]C)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|N<2>,2|C<4>,4|C<3>}	118.8620	0.089	2	118.8620	0.008	2	119.5135	0.588	4	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]C){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){2|Br<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	118.3920	0.000	1	118.3920	0.000	1	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]C)(CH3){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	120.9770	0.000	1	120.9770	0.000	1	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(CH3)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(CH3){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	117.8630	0.000	1	117.8630	0.000	1	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	121.0090	0.000	1	121.0090	0.000	1	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	119.0420	0.000	1	119.0420	0.000	1	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	119.3990	0.000	1	119.3990	0.000	1	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	120.1280	0.095	2	120.1280	0.009	2	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	119.5610	0.000	1	119.5610	0.000	1	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	123.3330	0.000	1	123.3330	0.000	1	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CF3){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	120.0450	0.000	1	120.0450	0.000	1	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	119.6930	0.000	1	119.6930	0.000	1	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	119.6505	0.298	2	119.6505	0.089	2	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	119.8400	0.000	1	119.8400	0.000	1	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	119.3300	0.000	1	119.3300	0.000	1	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHN)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHN){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	117.1900	0.000	1	117.1900	0.000	1	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC3)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,1|S<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC3){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	118.1840	0.064	2	118.1840	0.004	2	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,4|C<3>}	118.3615	0.069	2	118.3160	0.014	4	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|C<4>}	118.2705	0.175	2	118.3160	0.014	4	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|C<4>}	118.2570	2.147	2	118.2705	1.010	6	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	118.2772	0.383	4	118.2705	1.010	6	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	119.5740	0.655	2	119.5740	0.429	2	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	118.3745	1.179	4	118.3745	1.390	4	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|C<4>}	118.6560	0.324	2	118.6560	0.105	2	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|C<4>}	118.2720	0.727	2	118.2720	0.528	2	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|I<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	118.3577	0.728	16	118.3577	0.530	16	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	118.1488	0.519	6	118.1488	0.269	6	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]N[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	116.5135	3.637	2	116.5135	13.225	2	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	118.7170	0.703	2	118.7170	0.494	2	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]N[5a]Pd)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Pd<4>,1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]Pd)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	118.9625	1.394	2	118.9625	1.942	2	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]N[5a]Pt)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|Pt<4>,1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]Pt)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	118.8840	0.502	2	118.8840	0.252	2	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	118.5330	0.175	2	118.5330	0.031	2	118.6877	1.436	71	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]N[6]2H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]N[6]2H){1|Br<1>,1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	118.5400	0.000	1	118.3573	0.263	3	118.3573	0.263	3	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]N[6]2H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]N[6]2H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	118.2660	0.690	2	118.3573	0.263	3	118.3573	0.263	3	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]ReH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]ReH){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	122.6070	0.000	1	123.1745	0.644	2	123.1745	0.644	2	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]ReH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]ReH){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<4>,2|C<3>,3|H<1>}	123.7420	0.000	1	123.1745	0.644	2	123.1745	0.644	2	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Cu)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Cu){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	121.2770	0.000	1	121.2770	0.000	1	121.2801	0.869	9	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Mo)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Mo){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	121.4680	0.000	1	121.4680	0.000	1	121.2801	0.869	9	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Pd)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Pd){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	121.0600	0.000	1	121.0600	0.000	1	121.2801	0.869	9	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Pd)	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Pd){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	123.2010	0.000	1	123.2010	0.000	1	121.2801	0.869	9	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Pt)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Pt){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	120.1190	0.000	1	120.1190	0.000	1	121.2801	0.869	9	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Rh)	N[5a](C[5a]C[5a]Rh)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Rh<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Rh){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]Rh)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	122.1010	0.000	1	122.1010	0.000	1	121.2801	0.869	9	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Ru)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Ru){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	120.5820	0.395	2	120.5820	0.156	2	121.2801	0.869	9	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2W)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2W){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	121.1310	0.000	1	121.1310	0.000	1	121.2801	0.869	9	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Si-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Si)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(SiC3)	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Si)(C[6a]C[6a]H){1|Si<4>,2|C<3>,3|O<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]O)(SiC3){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a]){1|Si<4>,1|H<1>,1|O<1>,2|C<3>}	119.9340	0.000	1	119.9340	0.000	1	119.9340	0.000	1	119.0413	2.122	109	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	121.4290	0.000	1	120.8595	0.649	2	120.8977	0.329	3	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	120.2900	0.000	1	120.8595	0.649	2	120.8977	0.329	3	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	120.9740	0.000	1	120.9740	0.000	1	120.8977	0.329	3	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC3)	N[5a](C[5a]C[5a,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC3){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	122.1390	0.000	1	122.1390	0.000	1	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC3)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC3){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	122.9670	0.000	1	122.9670	0.000	1	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	121.2910	0.000	1	121.4035	0.025	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	121.5160	0.000	1	121.4035	0.025	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,2|H<1>}	120.6913	0.811	3	120.6913	0.658	3	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHO)	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHO){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	117.9955	0.241	2	117.9955	0.058	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN[5]HH)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CN[5]HH){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	120.1460	0.000	1	120.1460	0.000	1	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|N<2>,2|C<3>,3|C<4>}	118.6315	0.238	2	118.6315	0.057	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2){1|P<4>,2|C<4>,3|C<3>}	118.1060	0.819	2	118.1060	0.670	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]B)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|B<3>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]B)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|C<4>}	118.6825	0.228	2	118.6825	0.052	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	118.7536	0.285	15	118.7536	0.081	15	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	118.6050	0.410	4	118.6050	0.168	4	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(C[6a]C[6a]2){1|Cl<1>,2|C<4>,3|C<3>}	118.7865	0.439	2	118.7865	0.193	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a]N[5a,6]Pd)(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]N[5a,6]Pd)(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,4|C<3>}	118.4300	0.834	6	118.4300	0.696	6	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|C<3>,1|N<4>,1|O<1>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,4|C<4>}	118.3805	0.275	2	118.3805	0.076	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]O)(C[6a]C[6a]2){1|N<2>,2|C<3>,3|C<4>}	118.6255	0.795	2	118.6255	0.633	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|B<3>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2){2|C<4>,5|C<3>}	119.1895	1.367	2	119.1895	1.868	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	118.8725	0.302	2	118.8725	0.091	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|C<4>}	118.5240	0.216	2	118.5240	0.047	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|N<2>,1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|C<4>}	118.6685	0.452	2	118.6685	0.204	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	118.6155	0.293	2	118.6155	0.086	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]C[5a]Rh)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Rh<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]Rh)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	118.6955	0.961	2	118.6955	0.923	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]N[5a,6]Pd)(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a]N[5a,6]Pd)(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,4|C<3>}	118.5770	0.083	2	118.5770	0.007	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]N[5a]Cu)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Cu<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a]N[5a]Cu)(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|C<3>}	119.0525	0.274	2	119.0525	0.075	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]N[5a]Cu)(C[5a]C[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Cu<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a]N[5a]Cu)(C[5a]C[5a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	119.0265	1.522	2	119.0265	2.318	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]N[5a]Rh)(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Rh<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a]N[5a]Rh)(C[5a]C[5a]N)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|C<3>}	118.8810	2.144	2	118.8810	4.597	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]N[5a]Rh)(C[5a]C[5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Rh<6>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a]N[5a]Rh)(C[5a]C[5a]O)(C[6a]C[6a]2){1|N<2>,2|C<4>,3|C<3>}	118.8320	0.264	2	118.8320	0.070	2	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|Se<2>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<3>,2|C<4>}	118.8205	0.051	4	118.8205	0.003	4	118.9590	1.055	73	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[5a])2(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){2|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])2(CC[6a]HH){1|C<2>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	118.4970	0.000	1	118.4970	0.000	1	118.4970	0.000	1	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a,6]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a,6]N[5a,6]Si[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a,6]C[5a])(C[6a]C[6a]C)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a,6]N[5a,6]Si[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	119.0365	0.476	2	119.0365	0.226	2	119.0365	0.226	2	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	119.0580	0.619	12	119.0580	0.383	12	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	119.0332	0.280	8	119.0332	0.078	8	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Al)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Al)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.0530	0.354	4	119.0530	0.126	4	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Be)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Be<3>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Be)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.5614	0.968	8	119.5614	0.937	8	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Br)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Br)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.3598	1.101	8	119.3598	1.212	8	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	118.9988	0.519	20	118.9831	0.298	98	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	118.9791	0.556	78	118.9831	0.298	98	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<3>,3|C<4>}	119.1623	0.209	4	119.1623	0.044	4	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	118.8870	0.817	4	118.8870	0.667	4	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Cl)(C[5a]N[5a]C)(C[6a]C[6a]2){2|C<4>,3|C<3>}	119.3080	0.887	2	119.3080	0.786	2	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Fe<8>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.0520	0.648	4	119.0520	0.420	4	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ga<3>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.1153	0.397	8	119.0098	0.170	20	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ga<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	118.9394	0.424	12	119.0098	0.170	20	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ge<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.2512	0.764	4	118.9942	0.377	24	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	118.9608	0.628	16	118.9942	0.377	24	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Ge<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	118.8710	0.467	4	118.9942	0.377	24	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]I)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]I)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	118.9082	0.439	8	118.9082	0.193	8	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]In)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|In<3>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]In)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	118.8171	0.506	8	118.8171	0.256	8	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Li)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Li<3>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Li)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.5127	0.380	8	119.5127	0.145	8	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Mn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Mn<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Mn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	118.9273	0.450	4	118.9652	0.151	6	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Mn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Mn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.0410	0.363	2	118.9652	0.151	6	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.0971	0.411	8	119.1748	0.239	53	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.1886	0.504	45	119.1748	0.239	53	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]N[4])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]N[4])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	119.5340	1.761	4	119.5340	3.101	4	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]N[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]N[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Si<4>,1|H<1>,1|N<2>,2|C<4>,3|C<3>}	119.1244	0.552	7	119.1244	0.304	7	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ge<2>,1|H<1>,3|C<3>,3|C<4>}	119.2177	0.443	6	119.3152	0.476	13	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ge<4>,1|H<1>,3|C<3>,3|C<4>}	119.3989	0.878	7	119.3152	0.476	13	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.0662	0.454	8	119.0518	0.165	12	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|O<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.0230	0.351	4	119.0518	0.165	12	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|P<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	118.9856	0.573	16	119.0368	0.331	24	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|P<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.1394	0.606	8	119.0368	0.331	24	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]P[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,1|P<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]P[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	118.8826	0.874	8	118.8826	0.764	8	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Re)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Re)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.2620	0.000	1	119.2620	0.000	1	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Sc)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Sc<9>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Sc)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.4143	1.087	4	119.4143	1.182	4	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Si<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.3445	1.084	4	119.0609	0.503	12	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	118.9191	0.466	8	119.0609	0.503	12	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Sn<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.0949	0.680	7	119.1391	0.715	46	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Sn<3>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.0220	0.652	6	119.1391	0.715	46	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Sn<3>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|H<1>,3|C<3>}	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	119.5740	0.000	1	119.1391	0.715	46	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|Sn<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.1572	0.933	32	119.1391	0.715	46	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCO)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCO){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.7220	0.000	1	119.7220	0.000	1	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<3>,2|C<3>,2|C<4>}	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<2>,2|C<4>,5|C<3>}	119.1908	0.561	4	119.1908	0.315	4	119.0895	0.401	415	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){2|C<4>,6|C<3>}	118.9237	0.526	8	118.9237	0.277	8	118.6826	0.420	51	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]I)(C[6a]C[6a]2)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]I)(C[6a]C[6a]2){2|C<4>,6|C<3>}	118.3501	0.604	12	118.3501	0.365	12	118.6826	0.420	51	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2){2|C<4>,8|C<3>}	118.5596	0.557	12	118.7409	0.477	27	118.6826	0.420	51	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]N[6])(C[6a]C[6a]2){3|C<4>,7|C<3>}	118.8859	0.769	15	118.7409	0.477	27	118.6826	0.420	51	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]S)(C[6a]C[6a]2)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{1|N<3>,1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]S)(C[6a]C[6a]2){2|C<4>,6|C<3>}	118.8050	0.471	4	118.8050	0.222	4	118.6826	0.420	51	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,5a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(B[5a]N[5a]I)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2{1|I<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(B[5a]N[5a]I)(C[6a]C[6a]2){2|C<4>,6|C<3>}	118.2575	0.663	4	118.2575	0.439	4	118.9130	1.000	16	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,5a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<3>,2|C<3>,2|C<4>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|C<4>,6|C<3>}	119.1315	1.018	12	119.1315	1.036	12	118.9130	1.000	16	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]N[5a]Pd)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]N[5a]Pd)(C[6a]C[6a]2){2|C<4>,6|C<3>}	118.2500	0.653	2	118.2500	0.427	2	117.8731	0.166	8	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]Pd)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]C[5a])(C[6a]C[6a]C)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]Pd)(C[6a]C[6a]2){2|C<4>,6|C<3>}	117.7475	0.266	6	117.7475	0.071	6	117.8731	0.166	8	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	119.4300	0.000	1	119.4300	0.000	1	119.4300	0.000	1	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	118.9745	0.455	4	118.9745	0.207	4	119.1609	0.273	40	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	118.9180	0.576	8	118.9180	0.331	8	119.1609	0.273	40	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Li)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|Li<3>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Li)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	119.2645	0.089	4	119.4866	0.238	8	119.1609	0.273	40	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Li)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|Li<3>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Li)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	119.7087	0.645	4	119.4866	0.238	8	119.1609	0.273	40	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]O[5a])(C[6a]C[6a]2){2|C<4>,7|C<3>}	118.9135	1.063	2	118.9135	1.130	2	119.1609	0.273	40	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	119.2615	0.380	2	119.2615	0.144	2	119.1609	0.273	40	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	119.1844	0.457	16	119.1844	0.209	16	119.1609	0.273	40	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	119.7680	0.000	1	119.7680	0.000	1	120.5515	1.228	2	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])2(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2{2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])2(CC[6a]HH){1|C<2>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	121.3350	0.000	1	121.3350	0.000	1	120.5515	1.228	2	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHN)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CHHN){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	119.7720	0.000	1	119.7720	0.000	1	118.5592	0.577	33	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	118.5210	0.134	2	118.5210	0.018	2	118.5592	0.577	33	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	118.2887	0.118	4	118.2887	0.014	4	118.5592	0.577	33	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Ge<3>,1|S<2>,2|C<4>,6|C<3>}	118.2704	0.983	8	118.3474	0.898	16	118.5592	0.577	33	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|Ge<3>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Ge<3>,1|Te<3>,2|C<4>,6|C<3>}	118.4245	0.972	8	118.3474	0.898	16	118.5592	0.577	33	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|C<4>,4|C<3>}	118.9650	0.143	2	118.9650	0.020	2	118.5592	0.577	33	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|C<4>,6|C<3>}	119.1415	0.343	2	118.8744	0.188	8	118.5592	0.577	33	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|N<3>,2|C<4>,6|C<3>}	118.7710	0.624	2	118.8744	0.188	8	118.5592	0.577	33	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|Cl<1>,1|B<4>,2|C<4>,7|C<3>}	118.7925	0.453	4	118.8744	0.188	8	118.5592	0.577	33	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]Ge[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](N[5a]Ge[5a]C[5a])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|Ge<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](Ge[5a]N[5a,6a]Cl)(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	118.8100	0.157	2	118.8100	0.025	2	119.0920	0.520	6	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]Ge[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](Ge[5a]C[5,5a]Cr)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[6a](N[5a]Ge[5a]C[5a])(C[6a]C[6a]C)2{1|Cr<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|Ge<3>,2|C<3>,2|C<4>}	N[5a](Ge[5a]C[5,5a]Cr)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|C<4>}	119.2685	1.244	2	119.2685	1.547	2	119.0920	0.520	6	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Ge[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]Ge[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](Ge[5a]C[5,5a]Mo)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[6a](N[5a]Ge[5a]C[5a])(C[6a]C[6a]C)2{1|Mo<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|Ge<3>,2|C<3>,2|C<4>}	N[5a](Ge[5a]C[5,5a]Mo)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|C<4>}	119.1975	0.885	2	119.1975	0.783	2	119.0920	0.520	6	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Se[5a,5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]Se[5a,5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](Se[5a,5a]N[5a,5a,6]N[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](N[5a]Se[5a,5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|Se<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](Se[5a,5a]N[5a,5a,6]N[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	117.9110	0.557	2	117.9110	0.310	2	117.9110	0.310	2	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]Si[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](Si[5a]N[5a]As)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]Si[5a]C[5a])(C[6a]C[6a]C)2{1|As<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](Si[5a]N[5a]As)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	118.9903	0.843	4	118.9903	0.711	4	118.9925	0.355	16	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]Si[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](Si[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]Si[5a]C[5a])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](Si[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	118.5882	0.356	4	118.5882	0.127	4	118.9925	0.355	16	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	Si[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]Si[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](Si[5a]N[5a]V)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]Si[5a]C[5a])(C[6a]C[6a]C)2{1|V<11>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|Si<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](Si[5a]N[5a]V)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	119.1958	0.512	8	119.1958	0.262	8	118.9925	0.355	16	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PCCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|B<3>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PCCO){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	121.9340	0.000	1	121.9340	0.000	1	121.9340	0.000	1	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(SC[6a]OO)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]S){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(SC[6a]OO){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	122.3673	1.133	3	122.3673	1.284	3	122.3673	1.284	3	119.0290	0.607	673	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:4:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:B[5a]-4:C[6a]-3:	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br2)(C[6a]C[6a]2)	C[6a](N[5a]C[5,5a]B[5a])(C[6a]C[6a]C)2{2|Br<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(B[5a]N[5a]Br2)(C[6a]C[6a]2){2|C<4>,6|C<3>}	117.9595	1.604	4	117.9595	2.574	4	117.9595	2.574	4	118.6403	6.668	10	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:4:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,5a]-3:B[5a]-4:C[6a]-3:	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a]Br)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,5a]B[5a])(C[6a]C[6a]C)2{1|Br<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,2|C<4>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(B[5a]C[6a]N[5a]Br)(C[6a]C[6a]2){1|B<4>,1|N<3>,2|C<4>,6|C<3>}	119.1562	3.957	4	119.1562	15.660	4	119.1562	15.660	4	118.6403	6.668	10	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:4:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]B[5a])(C[6a]C[6a]C)2{1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2){2|C<4>,9|C<3>}	118.9700	1.475	2	118.9700	2.176	2	118.9700	2.176	2	118.6403	6.668	10	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5,5a]-4:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5,5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](N[5a]B[5,5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]C)(C[6a]C[6a]2){4|C<3>,4|C<4>}	119.6960	1.242	2	119.6960	1.542	2	119.6960	1.542	2	118.6066	1.381	10	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-4:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2){2|C<4>,8|C<3>}	119.2730	1.626	2	119.2730	2.645	2	118.3342	1.132	8	118.6066	1.381	10	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-4:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a](B[5a]N[5a]Cl2)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCHH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]Cl2)(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>}	117.7605	0.825	4	117.7605	0.681	4	118.3342	1.132	8	118.6066	1.381	10	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	4:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-4:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](B[5a]C[5,5a]C[6a]F)(C[5a]N[5,5a]C)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{1|C<4>,1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<3>,2|C<4>}	N[5a](B[5a]C[5,5a]C[6a]F)(C[5a]N[5,5a]C)(C[6a]C[6a]2){1|N<3>,3|C<4>,4|C<3>}	118.5430	0.259	2	118.5430	0.067	2	118.3342	1.132	8	118.6066	1.381	10	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[5]-4:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[5]N[5]O[5]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[5]N[5]O[5]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	120.8900	0.000	1	120.8900	0.000	1	120.8900	0.000	1	121.0607	0.237	3	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:P[5]-4:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]P[5])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(P[5]C[5,5a]2O)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]P[5])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(P[5]C[5,5a]2O)(C[6a]C[6a]H){2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	121.6100	0.000	1	121.6100	0.000	1	121.6100	0.000	1	121.0607	0.237	3	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	3:4:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[5]N[5]O[5]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[5]N[5]O[5]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	120.6820	0.000	1	120.6820	0.000	1	120.6820	0.000	1	121.0607	0.237	3	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	4:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	123.1810	0.000	1	123.1810	0.000	1	123.1810	0.000	1	123.1810	0.000	1	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP2	C[6a]	C[6a]	N[5a]	3:3:3:	6:3:3:	3:3:2:	C[6a]-3:N[5a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]B[5x3,5x5,20x6]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	C[6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<6>,1|N<2>,2|C<3>,4|B<6>,7|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|B<6>,2|C<3>,3|H<1>}	120.5670	0.000	1	120.5670	0.000	1	120.5670	0.000	1	120.5670	0.000	1	119.6671	1.356	7122	119.7567	1.627	7543
643	643	813	0:SP2_SP2_SP3	C[6,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a])	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	121.4900	0.000	1	121.4900	0.000	1	121.4900	0.000	1	121.4900	0.000	1	121.4900	0.000	1	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	122.2370	0.000	1	122.2370	0.000	1	122.2370	0.000	1	122.4495	0.090	2	122.4495	0.090	2	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,5|C<3>}	122.6620	0.000	1	122.6620	0.000	1	122.6620	0.000	1	122.4495	0.090	2	122.4495	0.090	2	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	118.6480	0.000	1	118.6480	0.000	1	119.6510	0.632	7	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.1820	0.000	1	119.1820	0.000	1	119.6510	0.632	7	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	119.9430	0.134	2	119.9430	0.018	2	119.6510	0.632	7	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.9220	1.454	2	119.9220	2.114	2	119.6510	0.632	7	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)2{1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])2(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	119.9970	0.000	1	119.9970	0.000	1	119.6510	0.632	7	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	119.2885	3.200	2	119.2885	10.238	2	119.2885	10.238	2	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	119.7255	1.832	2	119.7090	1.703	188	119.7090	1.703	188	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	119.7269	1.411	120	119.7090	1.703	188	119.7090	1.703	188	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.6390	0.958	40	119.7090	1.703	188	119.7090	1.703	188	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	119.7025	2.426	2	119.7090	1.703	188	119.7090	1.703	188	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,3|H<1>}	119.6757	0.736	6	119.7090	1.703	188	119.7090	1.703	188	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	119.6647	1.905	4	119.7090	1.703	188	119.7090	1.703	188	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	119.9010	0.921	6	119.7090	1.703	188	119.7090	1.703	188	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	119.6175	2.343	2	119.7090	1.703	188	119.7090	1.703	188	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	119.8230	1.945	4	119.7090	1.703	188	119.7090	1.703	188	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	119.5055	1.104	2	119.7090	1.703	188	119.7090	1.703	188	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.7835	1.664	2	119.7835	2.768	2	119.7835	2.768	2	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	119.3675	0.525	2	119.3675	0.276	2	119.3675	0.276	2	119.7002	1.681	201	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[5a])2(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])2(CN){2|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	119.8665	0.530	2	119.8665	0.281	2	119.8665	0.281	2	119.9639	2.227	14	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])2(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]C)2{2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])2(CN){1|C<2>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<2>,2|H<1>,6|C<3>}	120.6370	2.311	2	120.6370	5.340	2	120.6370	5.340	2	119.9639	2.227	14	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]O)2{1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,2|O<2>}	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	119.3184	1.010	5	119.3184	1.021	5	119.8488	2.475	10	119.9639	2.227	14	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]O)2	C[6a](C[6a]C[6a]N[5a])2(OC)	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]O)2{1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]N[5a])2(OC){2|N<3>,2|O<2>,3|C<3>}	N[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	120.3792	1.961	5	120.3792	3.846	5	119.8488	2.475	10	119.9639	2.227	14	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a,6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])2(N[5a]C[5a,6a]2){1|C<2>,1|C<4>,9|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){2|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	120.3480	0.304	2	120.3480	0.092	2	120.3480	0.092	2	121.1024	0.576	5	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<3>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	121.7405	0.452	2	121.7405	0.204	2	121.7405	0.204	2	121.1024	0.576	5	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.3350	0.000	1	121.3350	0.000	1	121.3350	0.000	1	121.1024	0.576	5	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(N[5a]C[5a]2){1|B<3>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2){2|C<4>,5|C<3>}	119.3545	2.617	2	119.3545	6.849	2	119.3545	6.849	2	119.0763	2.164	6	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[5a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH)	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a]B[5a]C[5a])(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCCH){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ge<2>,1|H<1>,3|C<3>,3|C<4>}	119.2805	1.223	2	119.2805	1.495	2	119.2805	1.495	2	119.0763	2.164	6	119.7310	1.739	226	119.7624	1.794	229
643	643	813	0:SP2_SP2_SP3	C[6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]C[5a])(C[6a]C[6a]C)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|C<4>,6|C<3>}	118.5940	1.331	2	118.5940	1.771	2	118.5940	1.771	2	119.0763	2.164	6	119.7310	1.739	226	119.7624	1.794	229
643	643	813	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[6,6a,6a]-3:N[5a,6,6]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a,6a]C[6,6a,6a]2)(N[5a,6,6]C[5a,6]2)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]N[5a,6,6a])(C[6,6,6a]C[6,6a,6a]N[5a,6,6])(C[6,6,6a]C[6,6a]2)	N[5a,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6]C[6,6a]C[5a])2	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a,6a]C[6,6a,6a]2)(N[5a,6,6]C[5a,6]2){2|N<3>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]N[5a,6,6a])(C[6,6,6a]C[6,6a,6a]N[5a,6,6])(C[6,6,6a]C[6,6a]2){9|C<3>}	N[5a,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6]C[6,6a]C[5a])2{8|C<3>}	118.5520	0.000	1	118.5520	0.000	1	118.5520	0.000	1	118.5520	0.000	1	118.5520	0.000	1	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a,6a]	N[5a,6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6,6a]-3:C[6,6a,6a]-3:N[5a,6,6]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6a,6a]-3:	C[6,6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a,6a]C[6,6a,6a]2)(N[5a,6,6]C[5a,6]2)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]N[5a,6,6a])(C[6,6,6a]C[6,6,6a]N[5a,6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])	N[5a,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6]C[6,6a]C[5a])2	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a,6a]C[6,6a,6a]2)(N[5a,6,6]C[5a,6]2){2|N<3>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]N[5a,6,6a])(C[6,6,6a]C[6,6,6a]N[5a,6,6])(C[6,6a,6a]C[6a,6a]C[6,6a]){9|C<3>}	N[5a,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6]C[6,6a]C[5a])2{8|C<3>}	118.5850	0.000	1	118.5850	0.000	1	118.5850	0.000	1	118.5850	0.000	1	118.5850	0.000	1	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6,6a]-3:C[5a,6]-3:N[5a,6]-3:	C[6,6,6a](N[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]N[5a,6,6]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6,6](C[6,6,6a]C[6,6a]2)(C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])	C[6,6,6a](N[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])2{1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6,6a]N[5a,6,6]C[6,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	N[5a,6,6](C[6,6,6a]C[6,6a]2)(C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	118.4310	0.000	1	118.4310	0.000	1	118.4310	0.000	1	116.9570	4.345	2	116.9570	4.345	2	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6,6a]	C[6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a]-3:C[5a,6]-3:N[5a,6]-3:	C[6,6,6a](N[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]N[5a,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C)	N[5a,6,6](C[6,6,6a]C[6,6a]2)(C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])	C[6,6,6a](N[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])2{1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6,6a]N[5a,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a,6,6](C[6,6,6a]C[6,6a]2)(C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	115.4830	0.000	1	115.4830	0.000	1	115.4830	0.000	1	116.9570	4.345	2	116.9570	4.345	2	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a,6a]	C[6,6,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a,6a]-3:C[6,6,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a,6a]C[6,6a,6a]2)(C[6,6,6a]C[6,6,6a]2)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]N[5a,6,6a])(C[6,6,6a]C[6,6a,6a]N[5a,6,6])(C[6,6,6a]C[6,6a]2)	N[5a,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a,6a]C[6,6a,6a]2)(C[6,6,6a]C[6,6,6a]2){2|N<3>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]N[5a,6,6a])(C[6,6,6a]C[6,6a,6a]N[5a,6,6])(C[6,6,6a]C[6,6a]2){9|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	117.9390	0.000	1	117.9390	0.000	1	117.9390	0.000	1	117.9390	0.000	1	117.9390	0.000	1	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a,6a]	C[6,6a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[5a,6,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6a,6a]-3:	C[5a,6a]-3:C[6,6a,6a]-3:C[5a,6]-3:	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]N[5a,6,6a])(C[6,6,6a]C[6,6,6a]N[5a,6,6])(C[6,6a,6a]C[6a,6a]C[6,6a])	N[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a,6a]C[6,6a,6a]2)(C[5a,6]C[6,6a]C[5a])	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a,6a]C[6,6a,6a]2){2|N<3>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]N[5a,6,6a])(C[6,6,6a]C[6,6,6a]N[5a,6,6])(C[6,6a,6a]C[6a,6a]C[6,6a]){9|C<3>}	N[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a,6a]C[6,6a,6a]2)(C[5a,6]C[6,6a]C[5a]){8|C<3>}	116.9330	0.000	1	116.9330	0.000	1	116.9330	0.000	1	118.5920	2.131	3	118.5920	2.131	3	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a,6a]	C[6,6a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[5a,6,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[6,6a,6a]-3:	C[5a,6a]-3:C[6,6a,6a]-3:C[5a,6]-3:	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a,6a]C[6,6a,6a]2)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]N[5a,6,6a])(C[6,6a,6a]N[5a,6,6a]C[6,6,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])	N[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a,6a]C[6,6a,6a]2)(C[5a,6]C[6,6a]C[5a])	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a,6a]C[6,6a,6a]2){2|N<3>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]N[5a,6,6a])(C[6,6a,6a]N[5a,6,6a]C[6,6,6a])(C[6,6a,6a]C[6a,6a]C[6,6a]){9|C<3>}	N[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a,6a]C[6,6a,6a]2)(C[5a,6]C[6,6a]C[5a]){8|C<3>}	119.6790	0.000	1	119.6790	0.000	1	119.6790	0.000	1	118.5920	2.131	3	118.5920	2.131	3	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a,6a]	C[6,6a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a,6a]-3:C[6,6,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[6,6a,6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a,6a]C[6,6a,6a]2)(C[6,6,6a]C[6,6,6a]2)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]N[5a,6,6a])(C[6,6a,6a]N[5a,6,6a]C[6,6,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])	N[5a,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a,6a]C[6,6a,6a]2)(C[6,6,6a]C[6,6,6a]2){2|N<3>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]N[5a,6,6a])(C[6,6a,6a]N[5a,6,6a]C[6,6,6a])(C[6,6a,6a]C[6a,6a]C[6,6a]){9|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	119.1640	0.000	1	119.1640	0.000	1	119.1640	0.000	1	118.5920	2.131	3	118.5920	2.131	3	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a,6a]	C[6,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]N[5a,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[5a]C[6a])	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]N[5a,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[5a]C[6a]){1|H<1>,7|C<3>}	119.0610	0.000	1	119.0610	0.000	1	119.0610	0.000	1	119.2168	0.453	5	119.2168	0.453	5	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a,6a]	C[6,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]N[5a,6,6a]C[6a,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]N[5a,6,6a]C[6a,6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,7|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	120.4120	0.000	1	120.4120	0.000	1	120.4120	0.000	1	119.2168	0.453	5	119.2168	0.453	5	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a,6a]	C[6,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a,6a]N[5a,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]N[5a,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	118.8703	0.019	3	118.8703	0.000	3	118.8703	0.000	3	119.2168	0.453	5	119.2168	0.453	5	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a,6a]	C[6a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[6,6a,6a]N[5a,6,6a]C[6,6a])(C[6a]C[6a]H)2	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[5a]C[6a])	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6,6a,6a]N[5a,6,6a]C[6,6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[5a]C[6a]){1|H<1>,7|C<3>}	117.7610	0.000	1	117.7610	0.000	1	117.7610	0.000	1	118.6352	0.462	5	118.6352	0.462	5	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a,6a]	C[6a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6a,6a](C[6,6a,6a]N[5a,6,6a]C[6,6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[6,6a,6a]N[5a,6,6a]C[6,6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	119.6560	0.000	1	119.6560	0.000	1	119.6560	0.000	1	118.6352	0.462	5	118.6352	0.462	5	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a,6a]	C[6a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a,6a](C[6,6a,6a]N[5a,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[6,6a,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[6,6a,6a]N[5a,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	118.5863	0.129	3	118.5863	0.017	3	118.5863	0.017	3	118.6352	0.462	5	118.6352	0.462	5	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[6,6a](N[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd)	C[6,6a](C[6,6a]N[5,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(C[5]C[5]Pd)	C[6,6a](N[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(N[6]C[6]Pd){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Pd<4>,1|H<1>,4|C<3>}	N[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(C[5]C[5]Pd){1|C<4>,1|H<1>,4|C<3>}	119.1940	0.082	2	119.1940	0.007	2	119.1940	0.007	2	119.1940	0.007	2	119.1940	0.007	2	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]N[5a,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	116.3180	0.000	1	116.2140	0.022	2	116.6463	0.572	3	116.6463	0.572	3	116.6463	0.572	3	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]N[5a,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	116.1100	0.000	1	116.2140	0.022	2	116.6463	0.572	3	116.6463	0.572	3	116.6463	0.572	3	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5a,6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){2|H<1>,6|C<3>}	117.5110	0.000	1	117.5110	0.000	1	116.6463	0.572	3	116.6463	0.572	3	116.6463	0.572	3	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]C){1|C<4>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	116.8240	0.000	1	116.8240	0.000	1	116.8240	0.000	1	117.1540	0.134	3	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	117.5470	0.000	1	117.5470	0.000	1	117.3190	0.104	2	117.1540	0.134	3	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]I)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|I<1>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]I){1|C<4>,1|H<1>,4|C<3>}	117.0910	0.000	1	117.0910	0.000	1	117.3190	0.104	2	117.1540	0.134	3	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]N[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]N[6]){1|N<2>,2|C<3>,2|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	112.9550	0.000	1	112.9550	0.000	1	112.9550	0.000	1	115.3988	2.910	4	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|N<2>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	116.8470	0.000	1	116.8470	0.000	1	116.8470	0.000	1	115.3988	2.910	4	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,4|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]){1|O<2>,3|H<1>,4|C<3>}	116.1850	0.000	1	116.1850	0.000	1	115.8965	0.166	2	115.3988	2.910	4	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,2|N<2>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	115.6080	0.000	1	115.6080	0.000	1	115.8965	0.166	2	115.3988	2.910	4	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]S)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]S){1|N<2>,2|C<3>,4|H<1>}	115.9375	0.310	2	115.9375	0.096	2	115.9375	0.096	2	117.3108	2.074	9	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]N)(O[6]C[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|N<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]N)(O[6]C[6]){3|C<3>,4|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O){1|O<2>,2|C<3>,4|H<1>}	115.4650	0.000	1	115.7310	0.142	2	115.7310	0.142	2	117.3108	2.074	9	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]N)(O[6]C[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|N<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]N)(O[6]C[6]){3|C<3>,4|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O){1|O<2>,3|C<3>,3|H<1>}	115.9970	0.000	1	115.7310	0.142	2	115.7310	0.142	2	117.3108	2.074	9	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|S<2>,3|H<1>,6|C<3>}	118.5260	0.000	1	118.5260	0.000	1	118.6600	0.018	4	117.3108	2.074	9	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	118.6280	0.000	1	118.7047	0.014	3	118.6600	0.018	4	117.3108	2.074	9	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){3|C<3>,4|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]O){1|S<2>,2|C<3>,4|H<1>}	118.7430	0.141	2	118.7047	0.014	3	118.6600	0.018	4	117.3108	2.074	9	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6a]N[6])(C[6a]N[6a]Cl)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6]C[6a]C[6])(N[6a]C[6a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6]C[6a]C[6])(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|N<3>,2|N<2>,3|H<1>}	117.8200	0.000	1	117.8200	0.000	1	117.8200	0.000	1	117.3108	2.074	9	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a,6]-3:C[6,6a]-3:B[5a]-4:	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF)	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF){1|H<1>,1|N<2>,5|C<3>}	118.0220	0.000	1	118.0220	0.000	1	118.0220	0.000	1	118.0220	0.000	1	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]S)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]S){1|N<2>,2|C<3>,3|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	116.5000	0.000	1	116.5000	0.000	1	117.2400	1.095	2	116.9523	0.796	3	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]S[6])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]S[6])(N[5a]N[5a]){1|H<1>,3|C<3>}	117.9800	0.000	1	117.9800	0.000	1	117.2400	1.095	2	116.9523	0.796	3	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	116.3770	0.000	1	116.3770	0.000	1	116.3770	0.000	1	116.9523	0.796	3	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]Pd)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]H){1|Pd<7>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]Pd){1|H<1>,5|C<3>}	117.6990	0.000	1	117.6990	0.000	1	117.6990	0.000	1	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[5a,6]C[5a,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6]C[5a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5a,6]C[5a,6]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6]C[5a]C[6]){3|C<3>,3|C<4>,3|H<1>}	117.7660	0.000	1	117.7660	0.000	1	117.7660	0.000	1	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5,6]C[5a])(C[5a]N[5a]H){1|C<4>,1|H<1>,4|C<3>}	117.9610	0.088	2	117.9610	0.008	2	117.9610	0.008	2	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	118.4040	0.000	1	118.4040	0.000	1	118.4040	0.000	1	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|Si<4>,3|C<3>,3|H<1>}	117.4470	0.000	1	117.4470	0.000	1	117.4415	0.014	4	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	117.4760	0.000	1	117.4760	0.000	1	117.4415	0.014	4	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]C)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,3|C<3>}	117.2780	0.000	1	117.2780	0.000	1	117.4415	0.014	4	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]N[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]C[6])(C[6a]N[6a]H){1|H<1>,6|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H){1|H<1>,6|C<3>}	117.5650	0.000	1	117.5650	0.000	1	117.4415	0.014	4	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6]){1|C<4>,3|H<1>,5|C<3>}	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,5a]C[6])(C[5a]C[5,5a]C)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,5a]C[6])(C[5a]C[5,5a]C){2|H<1>,5|C<3>}	116.8020	0.000	1	116.8020	0.000	1	117.2290	0.987	8	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]N)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,3|N<2>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){2|H<1>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]N){1|C<4>,1|H<1>,3|C<3>}	115.5240	0.000	1	115.5240	0.000	1	117.2290	0.987	8	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]S[6])(C[5a]N[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]C){2|H<1>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]S[6])(C[5a]N[5a]H){1|H<1>,4|C<3>}	118.9270	0.000	1	118.9270	0.000	1	117.2290	0.987	8	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]N[6a]H)(C[6]C[6]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]N[6a]H)(C[6]C[6]C){1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	118.1230	0.000	1	118.1230	0.000	1	117.2290	0.987	8	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd){1|O<2>,2|H<1>,4|C<3>}	117.0040	0.000	1	117.1140	0.027	4	117.2290	0.987	8	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd){1|O<2>,2|H<1>,4|C<3>}	117.0480	0.049	2	117.1140	0.027	4	117.2290	0.987	8	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<3>,2|H<1>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd){1|O<3>,2|H<1>,4|C<3>}	117.3560	0.000	1	117.1140	0.027	4	117.2290	0.987	8	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a]){2|H<1>,2|N<3>,6|C<3>}	116.5120	0.000	1	116.5120	0.000	1	116.5120	0.000	1	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	116.7450	0.351	2	116.8240	0.079	4	116.8240	0.079	4	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	116.9030	0.298	2	116.8240	0.079	4	116.8240	0.079	4	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|H<1>,5|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,3|H<1>,4|C<3>}	116.4460	0.000	1	116.4460	0.000	1	116.8208	0.516	13	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.4380	0.000	1	117.4380	0.000	1	116.8208	0.516	13	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	116.3385	1.391	2	116.7976	0.576	9	116.8208	0.516	13	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	116.5940	0.000	1	116.7976	0.576	9	116.8208	0.516	13	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	116.5890	0.000	1	116.7976	0.576	9	116.8208	0.516	13	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	116.7952	0.353	4	116.7976	0.576	9	116.8208	0.516	13	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	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>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	118.1370	0.000	1	116.7976	0.576	9	116.8208	0.516	13	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	116.0780	0.000	1	116.0780	0.000	1	116.8208	0.516	13	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|Br<1>,2|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	117.5310	0.000	1	117.5310	0.000	1	116.8208	0.516	13	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[3,6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[3,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[3,6]C[3,6]C[3])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[3,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[3,6]C[3,6]C[3])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	117.9570	0.000	1	117.9570	0.000	1	117.9570	0.000	1	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	117.0600	0.102	2	117.0600	0.010	2	117.0600	0.010	2	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.5270	0.000	1	117.7733	0.814	3	117.7733	0.814	3	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){2|C<3>,2|N<3>,4|H<1>}	118.0190	0.000	1	117.7733	0.814	3	117.7733	0.814	3	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	116.7740	0.000	1	117.7733	0.814	3	117.7733	0.814	3	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|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>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H){1|N<3>,3|C<3>,4|H<1>}	117.4300	0.000	1	117.4300	0.000	1	117.4300	0.000	1	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[6,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6]){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[6,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6]){1|N<2>,2|H<1>,5|C<3>}	117.5630	0.000	1	117.5630	0.000	1	117.5630	0.000	1	117.2330	0.551	44	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:B[5a]-4:	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF)	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,2|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF){1|N<2>,2|H<1>,4|C<3>}	118.4520	0.000	1	118.4520	0.000	1	118.4520	0.000	1	118.4520	0.000	1	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:2:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6]C[6a])(C[6]C[6]HO)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6]C[6a])(C[6]C[6]HO){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	118.1100	0.000	1	118.1100	0.000	1	118.1100	0.000	1	117.2322	1.443	5	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	117.0350	0.000	1	117.0350	0.000	1	117.0350	0.000	1	117.2322	1.443	5	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<2>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]N[5a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	115.2300	0.000	1	115.2300	0.000	1	115.2300	0.000	1	117.2322	1.443	5	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	118.0920	0.000	1	117.8930	0.079	2	117.8930	0.079	2	117.2322	1.443	5	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	117.6940	0.000	1	117.8930	0.079	2	117.8930	0.079	2	117.2322	1.443	5	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	117.3820	0.000	1	117.3820	0.000	1	117.3820	0.000	1	117.3820	0.000	1	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:4:3:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){2|C<4>,2|H<1>,4|C<3>}	117.6190	0.000	1	117.6190	0.000	1	117.6190	0.000	1	117.6253	0.017	3	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:4:3:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>,3|O<2>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	117.7590	0.000	1	117.7590	0.000	1	117.6285	0.034	2	117.6253	0.017	3	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:4:3:	3:3:2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,3|H<1>,4|C<3>}	117.4980	0.000	1	117.4980	0.000	1	117.6285	0.034	2	117.6253	0.017	3	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:4:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]N[5a])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[3,6]C[3,6]C[3]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]N[5a])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	118.7410	0.000	1	118.7410	0.000	1	118.7410	0.000	1	118.2150	1.835	8	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:4:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	117.0070	0.018	2	117.0070	0.000	2	117.0070	0.000	2	118.2150	1.835	8	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:4:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a])	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	117.7370	0.000	1	117.7370	0.000	1	117.7370	0.000	1	118.2150	1.835	8	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:4:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]Si[6])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]Si[6]){2|H<1>,3|C<4>,5|C<3>}	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	118.2150	1.835	8	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:4:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:B[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]B[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(B[5a,6]N[5a]Si[6])(C[5a]C[5a]H)	C[6,6a](N[5a,6]B[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|Si<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H){1|B<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(B[5a,6]N[5a]Si[6])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	118.7090	0.000	1	118.7090	0.000	1	118.7090	0.000	1	118.2150	1.835	8	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:4:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[6,6a](N[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]N[5a]C[6])(C[6a]C[6a]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[6,6a](N[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]N[5a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,5|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	116.5430	0.000	1	116.5430	0.000	1	116.5430	0.000	1	118.2150	1.835	8	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:4:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:Si[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(Si[6]C[6,6a]CC)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(Si[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|Si<4>,2|H<1>,6|C<3>}	120.2070	0.000	1	120.2070	0.000	1	120.2070	0.000	1	118.2150	1.835	8	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	4:3:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){2|C<4>,3|H<1>,5|C<3>}	119.1180	0.000	1	119.1180	0.000	1	119.1180	0.000	1	119.1180	0.000	1	117.2975	1.181	83	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6,6a]-3:C[6]-2:	N[5a,6a]-3:C[6,6a]-3:N[6]-2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]N[6])(C[6]C[6])	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]C[6])(N[6]C[6])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C[3])	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]N[6])(C[6]C[6]){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]C[6])(N[6]C[6]){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[5a]N[5a]C[3]){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|N<2>}	118.7820	0.000	1	118.7820	0.000	1	118.7820	0.000	1	118.7430	0.003	2	116.6919	0.909	15	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6,6a]-3:N[6]-2:	N[5a,6a]-3:C[6,6a]-3:C[6]-2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]C[6])(N[6]C[6])	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]N[6])(C[6]C[6])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]N[5a]C[3])	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]C[6])(N[6]C[6]){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]N[6])(C[6]C[6]){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]N[5a]C[3]){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	118.7040	0.000	1	118.7040	0.000	1	118.7040	0.000	1	118.7430	0.003	2	116.6919	0.909	15	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6a]N[6a]C)(C[6]C[6]HH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6a]N[6a]C)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	115.9805	0.150	4	116.0401	0.051	7	116.0401	0.051	7	116.0401	0.051	7	116.6919	0.909	15	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6a]N[6a]C)(C[6]C[6]HH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6a]N[6a]C)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	116.1197	0.319	3	116.0401	0.051	7	116.0401	0.051	7	116.0401	0.051	7	116.6919	0.909	15	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]O)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	116.6090	0.000	1	116.9570	0.242	2	116.7482	0.245	5	116.7687	0.198	6	116.6919	0.909	15	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]O)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	117.3050	0.000	1	116.9570	0.242	2	116.7482	0.245	5	116.7687	0.198	6	116.6919	0.909	15	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	116.9035	0.268	2	116.9035	0.072	2	116.7482	0.245	5	116.7687	0.198	6	116.6919	0.909	15	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	116.0200	0.000	1	116.0200	0.000	1	116.7482	0.245	5	116.7687	0.198	6	116.6919	0.909	15	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[6,6a](N[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6a]C[6])(C[6]C[6]O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	C[6,6a](N[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	116.8710	0.000	1	116.8710	0.000	1	116.8710	0.000	1	116.7687	0.198	6	116.6919	0.909	15	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H)	C[6a,6a](C[6,6a]N[5a,6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a,6a]C[6])	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H){2|H<1>,6|C<3>}	C[6a,6a](C[6,6a]N[5a,6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a,6a]C[6]){2|H<1>,6|C<3>}	116.9480	0.000	1	116.9480	0.000	1	116.9480	0.000	1	116.9480	0.000	1	116.9480	0.000	1	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[6,6a]N[5a,6,6a]C[6,6a])(C[6a]C[6a]H)(H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[6,6a]N[5a,6,6a]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){2|H<1>,6|C<3>}	115.9660	0.000	1	115.9660	0.000	1	115.9660	0.000	1	115.9660	0.000	1	115.8107	0.077	3	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]N[5a,6,6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6,6a]N[5a,6,6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	115.4900	0.000	1	115.7330	0.118	2	115.7330	0.118	2	115.7330	0.118	2	115.8107	0.077	3	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6,6a]	C[6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]N[5a,6,6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6,6a]N[5a,6,6a]C[6,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	115.9760	0.000	1	115.7330	0.118	2	115.7330	0.118	2	115.7330	0.118	2	115.8107	0.077	3	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6,6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6,6a,6a]-3:C[6a]-3:	B[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a,6a]B[6,6,6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]N[5a,6a]C[6a])(C[6,6a]C[6a]C[6])	N[5a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a,6a]B[6,6,6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]N[5a,6a]C[6a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a]){1|B<3>,2|H<1>,6|C<3>}	117.5810	0.000	1	117.5810	0.000	1	117.5810	0.000	1	117.5810	0.000	1	117.5810	0.000	1	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5,6a]	3:3:2:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[5,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]N[5,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	117.3540	0.000	1	117.3540	0.000	1	117.2810	0.062	3	117.2810	0.062	3	116.7650	3.282	19	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5,6a]	3:3:2:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[5,6a]N[6a])(C[6a]C[6a]H)2	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<3>,3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]N[5,6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,4|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	117.0030	0.000	1	117.0030	0.000	1	117.2810	0.062	3	117.2810	0.062	3	116.7650	3.282	19	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5,6a]	3:3:2:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[5,6a]N[6a])(C[6a]C[6a]H)2	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]Pd)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]N[5,6a]N[6a])(C[6a]C[6a]H)2{1|H<1>,4|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]Pd){1|C<4>,1|H<1>,4|C<3>}	117.4860	0.000	1	117.4860	0.000	1	117.2810	0.062	3	117.2810	0.062	3	116.7650	3.282	19	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(N[5]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|C<3>,2|H<1>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(N[5]C[5]){1|Cd<6>,1|N<2>,2|C<3>,2|H<1>}	112.4830	0.000	1	112.2975	0.069	2	112.2975	0.069	2	112.2975	0.069	2	116.7650	3.282	19	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:N[5]-2:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(N[5]C[5])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|C<3>,2|H<1>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]N[5])(N[5]C[5]){1|Mn<6>,1|N<2>,2|C<3>,2|H<1>}	112.1120	0.000	1	112.2975	0.069	2	112.2975	0.069	2	112.2975	0.069	2	116.7650	3.282	19	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5,6a]C[6a])(N[6a]N[6a])	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5,6a]C[6a])(N[6a]N[6a]){2|H<1>,5|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[6a]S[5])(C[5]C[5]H){1|N<2>,2|C<3>,2|H<1>}	115.6310	0.000	2	115.6310	0.000	2	115.6310	0.000	2	115.6310	0.000	2	116.7650	3.282	19	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a](N[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])	C[6a,6a](N[5,6a]C[5,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5]){2|H<1>,7|C<3>}	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	117.3810	0.604	10	116.7650	3.282	19	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C){1|C<4>,1|H<1>,4|C<3>}	117.6990	0.000	1	117.8085	0.024	2	117.4802	0.569	9	117.3810	0.604	10	116.7650	3.282	19	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C){1|C<4>,1|H<1>,4|C<3>}	117.9180	0.000	1	117.8085	0.024	2	117.4802	0.569	9	117.3810	0.604	10	116.7650	3.282	19	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)2	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]Rh)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Rh<6>,1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]Rh){1|C<4>,3|C<3>,3|H<1>}	117.5423	1.253	3	117.5423	1.570	3	117.4802	0.569	9	117.3810	0.604	10	116.7650	3.282	19	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)2	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]N[5]Rh)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Rh<6>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]N[5]Rh){2|H<1>,4|C<3>}	116.7680	0.000	1	116.7680	0.000	1	117.4802	0.569	9	117.3810	0.604	10	116.7650	3.282	19	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)2	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]2)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.1095	0.076	2	117.1095	0.006	2	117.4802	0.569	9	117.3810	0.604	10	116.7650	3.282	19	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)2	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]Pd)	C[6a,6a](N[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|Pd<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]Pd){1|O<2>,2|H<1>,4|C<3>}	118.0910	0.000	1	118.0910	0.000	1	117.4802	0.569	9	117.3810	0.604	10	116.7650	3.282	19	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]F)	N[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[3x6a]N[6a])(C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a]F){1|C<4>,2|H<1>,4|C<3>}	N[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	118.8630	0.000	1	118.8630	0.000	1	118.8630	0.000	1	118.5125	0.246	2	116.7650	3.282	19	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	N[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[6a,6a](N[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[6a,6a](N[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]N[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	118.1620	0.000	1	118.1620	0.000	1	118.1620	0.000	1	118.5125	0.246	2	116.7650	3.282	19	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[3])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[3]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	116.1635	0.166	4	116.1635	0.028	4	116.1635	0.028	4	116.1635	0.028	4	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a]){1|C<2>,1|H<1>,5|C<3>}	118.5540	0.000	1	118.5540	0.000	1	118.5540	0.000	1	117.5941	0.249	13	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]C){1|C<4>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	117.0485	0.036	2	117.0485	0.001	2	117.0485	0.001	2	117.5941	0.249	13	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<2>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>}	116.8600	0.000	1	116.8600	0.000	1	117.6072	0.164	10	117.5941	0.249	13	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,4|C<3>}	117.6753	0.400	4	117.6753	0.160	4	117.6072	0.164	10	117.5941	0.249	13	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	117.6330	0.000	1	117.7707	0.092	4	117.6072	0.164	10	117.5941	0.249	13	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	117.8167	0.354	3	117.7707	0.092	4	117.6072	0.164	10	117.5941	0.249	13	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	117.4280	0.000	1	117.4280	0.000	1	117.6072	0.164	10	117.5941	0.249	13	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:2:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[5])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	116.1870	0.000	1	116.1870	0.000	1	116.4500	0.138	2	116.4500	0.138	2	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:2:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[6])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]N[6a]2)(C[6a]N[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	116.7130	0.000	1	116.7130	0.000	1	116.4500	0.138	2	116.4500	0.138	2	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,7|C<3>}	119.1330	0.000	1	119.1330	0.000	1	119.1330	0.000	1	119.1330	0.000	1	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(N[6a]N[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(N[6a]N[6a]){1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	114.0130	0.000	1	114.0130	0.000	1	114.0130	0.000	1	113.6008	0.540	5	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	114.6930	0.000	1	114.6930	0.000	1	113.4977	0.650	4	113.6008	0.540	5	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	113.1380	0.187	2	113.0993	0.022	3	113.4977	0.650	4	113.6008	0.540	5	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	113.0220	0.000	1	113.0993	0.022	3	113.4977	0.650	4	113.6008	0.540	5	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	116.8120	0.000	1	116.8120	0.000	1	116.8120	0.000	1	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	116.3630	0.000	1	116.2155	0.044	2	116.2155	0.044	2	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	116.0680	0.000	1	116.2155	0.044	2	116.2155	0.044	2	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	116.8940	0.000	1	116.7450	0.044	2	116.3533	0.523	19	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>,3|H<1>}	116.5960	0.000	1	116.7450	0.044	2	116.3533	0.523	19	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	116.8540	0.000	1	116.8620	0.051	9	116.3533	0.523	19	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	116.9460	0.000	1	116.8620	0.051	9	116.3533	0.523	19	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	116.7656	0.255	5	116.8620	0.051	9	116.3533	0.523	19	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	116.9880	0.000	1	116.8620	0.051	9	116.3533	0.523	19	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|I<1>,1|N<2>,2|C<3>,3|H<1>}	117.1420	0.000	1	116.8620	0.051	9	116.3533	0.523	19	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[6])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[6]){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	115.9750	0.000	1	115.9750	0.000	1	116.3533	0.523	19	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	116.0810	0.000	1	116.0810	0.000	1	116.3533	0.523	19	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S){1|N<2>,2|C<3>,4|H<1>}	116.4300	0.310	2	116.4300	0.096	2	116.3533	0.523	19	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N){1|H<1>,1|N<2>,4|C<3>}	114.9800	0.000	1	114.9800	0.000	1	116.3533	0.523	19	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,3|C<3>}	115.0080	0.000	1	115.0080	0.000	1	116.3533	0.523	19	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[5a]2)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]N[6a]){2|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[5a]2){1|N<2>,3|H<1>,4|C<3>}	115.2800	0.093	2	115.2800	0.009	2	116.3533	0.523	19	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(O[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(O[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	116.8940	0.184	2	116.8940	0.034	2	116.9933	0.057	4	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(O[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(O[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	116.8700	0.000	1	117.0925	0.099	2	116.9933	0.057	4	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(O[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(O[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	117.3150	0.000	1	117.0925	0.099	2	116.9933	0.057	4	116.4588	0.449	26	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	116.5320	0.000	1	116.5320	0.000	1	116.5320	0.000	1	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	118.2840	0.000	1	118.2840	0.000	1	118.2840	0.000	1	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a])	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]){1|C<4>,1|N<3>,5|C<3>}	116.6410	0.000	1	116.6410	0.000	1	116.6410	0.000	1	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	117.7660	0.000	1	117.7660	0.000	1	117.7660	0.000	1	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	115.0650	0.000	1	115.0650	0.000	1	115.9562	0.374	26	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	116.7730	0.000	1	116.7537	0.007	3	115.9562	0.374	26	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	116.7440	0.116	2	116.7537	0.007	3	115.9562	0.374	26	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]C){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	114.8100	0.000	1	114.8100	0.000	1	115.9562	0.374	26	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	115.9580	0.000	1	115.9580	0.000	1	115.9562	0.374	26	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,2|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	116.3400	0.000	1	116.1623	0.250	3	115.9562	0.374	26	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,2|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	116.5490	0.000	1	116.1623	0.250	3	115.9562	0.374	26	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|N<2>,2|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|S<4>,2|H<1>,3|C<3>}	115.5980	0.000	1	116.1623	0.250	3	115.9562	0.374	26	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.2000	0.000	1	116.2000	0.000	1	115.9562	0.374	26	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	115.8780	0.074	2	116.3049	0.081	9	115.9562	0.374	26	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){3|C<3>,3|H<1>}	116.4269	0.171	7	116.3049	0.081	9	115.9562	0.374	26	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|C<2>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	115.1990	0.109	2	115.3522	0.035	6	115.9562	0.374	26	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	115.4690	0.173	2	115.3522	0.035	6	115.9562	0.374	26	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	115.3885	0.233	2	115.3522	0.035	6	115.9562	0.374	26	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>,2|N<2>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|H<1>,1|S<4>,3|C<3>}	115.2220	0.000	1	115.2220	0.000	1	115.9562	0.374	26	116.1361	0.617	30	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|N<2>,2|H<1>,5|C<3>}	117.7480	0.000	1	117.7480	0.000	1	117.0360	1.014	2	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	116.3240	0.000	1	116.3240	0.000	1	117.0360	1.014	2	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[5a,6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,5|C<3>}	116.8155	0.177	2	116.8155	0.032	2	116.8155	0.032	2	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	118.9535	0.164	4	118.9535	0.027	4	118.6970	0.349	5	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	117.6710	0.000	1	117.6710	0.000	1	118.6970	0.349	5	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	116.8150	0.000	1	116.8150	0.000	1	116.8150	0.000	1	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C){1|O<1>,2|H<1>,4|C<3>}	118.6770	0.000	1	118.6770	0.000	1	118.8720	0.076	2	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O){1|C<4>,2|H<1>,4|C<3>}	119.0670	0.000	1	119.0670	0.000	1	118.8720	0.076	2	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	117.9090	0.000	1	117.9090	0.000	1	117.9090	0.000	1	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)	N[5a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6,6a]C[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6,6a]C[5,6,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	119.3480	0.000	1	119.3480	0.000	1	119.3480	0.000	1	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	N[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,5|C<3>}	120.0270	0.000	1	120.0270	0.000	1	120.0270	0.000	1	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){3|H<1>,6|C<3>}	117.8940	0.000	1	117.8940	0.000	1	117.5259	0.642	13	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){2|H<1>,6|C<3>}	117.8140	0.000	1	117.8140	0.000	1	117.5259	0.642	13	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	118.6230	0.000	1	118.6230	0.000	1	117.5259	0.642	13	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]S)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]S){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	117.9250	0.000	1	117.9250	0.000	1	117.5259	0.642	13	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a]){2|H<1>,6|C<3>}	116.4680	0.000	1	116.4680	0.000	1	117.5259	0.642	13	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a]){2|H<1>,5|C<3>}	115.6160	0.000	1	115.6160	0.000	1	117.5259	0.642	13	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a]){1|C<4>,3|H<1>,5|C<3>}	117.3530	0.000	1	117.3530	0.000	1	117.5259	0.642	13	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	117.4588	0.383	4	117.6907	0.233	6	117.5259	0.642	13	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	117.9540	0.000	1	117.6907	0.233	6	117.5259	0.642	13	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	118.3550	0.000	1	117.6907	0.233	6	117.5259	0.642	13	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	116.9220	0.000	1	116.9220	0.000	1	116.9220	0.000	1	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,5|C<3>}	117.1367	0.334	3	117.1367	0.111	3	117.1367	0.111	3	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|Si<4>,3|C<3>,3|H<1>}	117.4100	0.000	1	117.4100	0.000	1	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,1|N<3>,3|C<3>}	116.8000	0.000	1	116.8000	0.000	1	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	118.5630	0.000	1	118.5630	0.000	1	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]O){2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a]){2|H<1>,6|C<3>}	116.7080	0.000	1	116.7080	0.000	1	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	117.5300	0.000	1	117.1943	0.292	9	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|Br<1>,3|C<3>,3|H<1>}	117.7240	0.000	1	117.1943	0.292	9	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	117.3320	0.000	1	117.1943	0.292	9	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>,3|H<1>}	117.3815	0.349	2	117.1943	0.292	9	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	117.7610	0.000	1	117.1943	0.292	9	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|C<3>,4|H<1>}	116.5085	0.377	2	117.1943	0.292	9	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	116.6220	0.000	1	117.1943	0.292	9	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	117.4700	0.076	3	117.3185	0.096	4	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,2|H<1>,6|C<3>}	116.8640	0.000	1	117.3185	0.096	4	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	117.8243	0.056	3	117.8712	0.007	5	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	117.9890	0.000	1	117.8712	0.007	5	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	117.8940	0.000	1	117.8712	0.007	5	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,2|H<1>,5|C<3>}	116.4600	0.000	1	116.4600	0.000	1	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){2|H<1>,3|C<3>}	116.7123	0.147	3	116.7123	0.021	3	117.2868	0.335	26	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O){1|C<4>,2|H<1>,4|C<3>}	118.0805	0.066	2	118.0805	0.004	2	117.9960	0.210	4	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O){1|H<1>,6|C<3>}	118.4580	0.000	1	118.4580	0.000	1	117.9960	0.210	4	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)	C[6a,6a](N[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O){1|C<4>,1|H<1>,4|C<3>}	117.3650	0.000	1	117.3650	0.000	1	117.9960	0.210	4	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	116.5520	0.000	1	116.5520	0.000	1	116.9590	0.268	3	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]2){1|F<1>,1|H<1>,1|O<1>,5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	117.5420	0.000	1	117.5420	0.000	1	116.9590	0.268	3	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	116.7830	0.000	1	116.7830	0.000	1	116.9590	0.268	3	117.5618	0.723	65	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a]FF)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a]FF){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	119.4780	0.000	1	119.4780	0.000	1	119.4780	0.000	1	118.5791	0.320	7	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	C[6a,6a](N[5a,6a]C[5a,6a]B[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2)	C[6a,6a](N[5a,6a]C[5a,6a]B[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2){2|H<1>,5|C<3>}	118.2957	0.494	4	118.2957	0.244	4	118.2957	0.244	4	118.5791	0.320	7	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:B[5a]-4:	C[6a,6a](N[5a,6a]C[5a,6a]B[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)	C[6a,6a](N[5a,6a]C[5a,6a]B[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	118.6965	0.172	2	118.6965	0.030	2	118.6965	0.030	2	118.5791	0.320	7	116.9738	1.453	153	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](N[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a,6a]N[5a,6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[5a,6a,6a](C[5a,6a]C[5a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	C[6a,6a](N[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]N[5a,6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a,6a,6a](C[5a,6a]C[5a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	116.7990	0.000	1	116.7990	0.000	1	115.1010	5.766	2	115.1010	5.766	2	115.1010	5.766	2	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a,6a]	C[6a]	N[5a,6a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a](N[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a,6a]N[5a,6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	N[5a,6a,6a](C[5a,6a]C[5a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	C[6a,6a](N[5a,6a,6a]C[5a,6a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]N[5a,6a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|C<4>,1|H<1>,5|C<3>}	N[5a,6a,6a](C[5a,6a]C[5a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	113.4030	0.000	1	113.4030	0.000	1	115.1010	5.766	2	115.1010	5.766	2	115.1010	5.766	2	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6,6a]	N[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[6,6a]-3:N[5,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH)	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]O)(C[5]C[5]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	113.7220	0.000	1	113.7220	0.000	1	113.1823	0.708	3	113.1823	0.708	3	113.3328	0.562	4	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6,6a]	N[5,6a]	3:3:1:	3:3:4:	3:3:4:	C[6,6a]-3:N[5,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH)	N[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6,6a]O)(C[5]C[5,6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6,6a]O)(C[5]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	112.9125	0.989	2	112.9125	0.979	2	113.1823	0.708	3	113.1823	0.708	3	113.3328	0.562	4	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6,6a]	N[5,6a]	3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[5,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O)	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	113.7840	0.000	1	113.7840	0.000	1	113.7840	0.000	1	113.7840	0.000	1	113.3328	0.562	4	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6,6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6,6a]-3:N[5a,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[5a,6a]C[5a,6a]2)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[5a,6a]H)(C[6]C[6]HH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[5a,6a]C[5a,6a]2)(H){2|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	118.4700	0.000	1	118.4700	0.000	1	118.4700	0.000	1	118.4700	0.000	1	116.9562	1.051	4	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6,6a]	N[5a,6a]	3:3:4:	3:3:4:	3:3:2:	N[5a,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[5a,6a]C)(C[6]C[6]HH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6,6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[5a,6a]C)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6,6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	116.4517	0.222	3	116.4517	0.049	3	116.4517	0.049	3	116.4517	0.049	3	116.9562	1.051	4	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]O[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]O[5])(O){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5]){3|C<3>,4|H<1>}	111.7210	0.000	1	111.7210	0.000	1	111.7210	0.000	1	112.7950	0.729	4	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]Se[5])(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(Se[5]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]Se[5])(O){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(Se[5]C[5,6a]){4|C<3>}	113.1530	0.570	3	113.1530	0.325	3	113.1530	0.325	3	112.7950	0.729	4	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O){2|H<1>,5|C<3>}	114.7810	0.000	1	114.7810	0.000	1	114.7810	0.000	1	114.2514	1.502	25	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5,6])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5,6])(O){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	114.9466	0.263	5	114.9575	0.056	6	114.9575	0.056	6	114.2514	1.502	25	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5,6])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5,6])(O){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	115.0120	0.000	1	114.9575	0.056	6	114.9575	0.056	6	114.2514	1.502	25	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]O){1|H<1>,2|C<4>,4|C<3>}	112.6570	0.000	1	112.6570	0.000	1	112.7685	0.165	8	114.2514	1.502	25	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	113.0080	0.499	3	112.7844	0.190	7	112.7685	0.165	8	114.2514	1.502	25	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,5|C<3>}	113.1370	0.000	1	112.7844	0.190	7	112.7685	0.165	8	114.2514	1.502	25	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,4|C<3>}	112.5560	0.000	1	112.7844	0.190	7	112.7685	0.165	8	114.2514	1.502	25	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,4|C<3>}	112.3870	0.047	2	112.7844	0.190	7	112.7685	0.165	8	114.2514	1.502	25	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	113.8340	0.000	1	113.8340	0.000	1	113.6767	0.154	3	114.2514	1.502	25	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	113.9660	0.000	1	113.9660	0.000	1	113.6767	0.154	3	114.2514	1.502	25	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	113.2300	0.000	1	113.2300	0.000	1	113.6767	0.154	3	114.2514	1.502	25	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]O)	N[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,5])(O){1|O<2>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]O){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a,6a]O){2|C<3>,3|C<4>,5|H<1>}	116.1490	0.000	1	116.1490	0.000	1	116.1490	0.000	1	114.2514	1.502	25	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,6a])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,6a])(O){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	115.2935	0.794	2	115.3497	0.325	3	115.3497	0.325	3	114.2514	1.502	25	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,6a])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,6a])(O){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,5|C<3>}	115.4620	0.000	1	115.3497	0.325	3	115.3497	0.325	3	114.2514	1.502	25	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	115.2890	0.049	2	115.2890	0.002	2	115.4613	0.090	3	114.2514	1.502	25	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]N){1|H<1>,1|O<1>,4|C<3>}	115.8060	0.000	1	115.8060	0.000	1	115.4613	0.090	3	114.2514	1.502	25	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	115.9640	0.000	1	115.6840	0.157	2	115.6840	0.157	2	113.9168	1.290	17	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|Cu<5>,2|H<1>,3|C<3>}	115.4040	0.000	1	115.6840	0.157	2	115.6840	0.157	2	113.9168	1.290	17	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	112.5790	0.000	1	112.5790	0.000	1	113.3272	0.475	12	113.9168	1.290	17	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){5|C<3>}	113.8810	0.000	1	113.8810	0.000	1	113.3272	0.475	12	113.9168	1.290	17	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|H<1>,2|C<4>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]CC){1|H<1>,4|C<3>}	114.5750	0.000	1	114.5750	0.000	1	113.3272	0.475	12	113.9168	1.290	17	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){3|C<3>,4|H<1>}	114.5220	0.000	1	114.5220	0.000	1	113.3272	0.475	12	113.9168	1.290	17	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){4|C<3>}	112.5190	0.000	1	112.5190	0.000	1	113.3272	0.475	12	113.9168	1.290	17	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){4|C<3>}	113.2700	0.000	1	113.2700	0.000	1	113.3272	0.475	12	113.9168	1.290	17	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	113.1550	0.000	1	112.9750	0.058	4	113.3272	0.475	12	113.9168	1.290	17	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	113.1940	0.000	1	112.9750	0.058	4	113.3272	0.475	12	113.9168	1.290	17	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	112.6940	0.000	1	112.9750	0.058	4	113.3272	0.475	12	113.9168	1.290	17	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	112.8570	0.000	1	112.9750	0.058	4	113.3272	0.475	12	113.9168	1.290	17	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]C[5]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]C[5]CH){1|H<1>,3|C<3>}	113.4970	0.000	1	113.4970	0.000	1	113.3272	0.475	12	113.9168	1.290	17	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	113.1840	0.000	1	113.1840	0.000	1	113.3272	0.475	12	113.9168	1.290	17	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){1|O<1>,4|C<3>}	114.4570	0.000	1	114.4570	0.000	1	115.0967	0.328	3	113.9168	1.290	17	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){1|H<1>,1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){1|O<1>,4|C<3>}	115.4165	0.206	2	115.4165	0.042	2	115.0967	0.328	3	113.9168	1.290	17	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5,6])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5,6])(O){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,7|C<3>}	114.7210	0.000	1	114.7210	0.000	1	114.7210	0.000	1	114.9983	3.988	22	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,5|C<3>}	115.0258	0.203	5	115.0325	0.033	6	115.0115	4.183	21	114.9983	3.988	22	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O){1|O<1>,2|C<4>,4|C<3>}	115.0660	0.000	1	115.0325	0.033	6	115.0115	4.183	21	114.9983	3.988	22	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,5|C<3>}	115.3850	0.154	2	115.3853	0.012	3	115.0115	4.183	21	114.9983	3.988	22	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|N<3>,1|O<1>,5|C<3>}	115.3860	0.000	1	115.3853	0.012	3	115.0115	4.183	21	114.9983	3.988	22	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){1|C<4>,1|P<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,6|C<3>}	116.0155	0.265	2	114.9075	7.538	12	115.0115	4.183	21	114.9983	3.988	22	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|Pd<4>,1|H<1>,1|O<1>,6|C<3>}	114.6325	0.746	2	114.9075	7.538	12	115.0115	4.183	21	114.9983	3.988	22	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	3:4:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|Rh<4>,1|H<1>,1|O<1>,6|C<3>}	114.6992	3.367	8	114.9075	7.538	12	115.0115	4.183	21	114.9983	3.988	22	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5,6a]	3:3:1:	3:3:3:	4:3:3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5,5])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5,5])(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){2|C<4>,4|C<3>,4|H<1>}	115.6120	0.000	1	115.6120	0.000	1	115.6120	0.000	1	115.6120	0.000	1	114.3424	2.449	69	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a]){1|H<1>,4|C<3>}	112.8630	0.000	1	112.8630	0.000	1	111.8317	1.488	3	111.8317	1.488	3	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]O)(N[5a]N[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]O)(N[5a]N[5a]){3|C<3>}	110.4850	0.000	1	110.4850	0.000	1	111.8317	1.488	3	111.8317	1.488	3	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a]){1|S<2>,2|C<3>}	112.1470	0.000	1	112.1470	0.000	1	111.8317	1.488	3	111.8317	1.488	3	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,5|C<3>}	115.1080	0.000	1	115.1080	0.000	1	114.6434	0.072	5	114.1429	2.032	17	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O){1|F<1>,5|C<3>}	114.5960	0.000	1	114.5450	0.005	2	114.6434	0.072	5	114.1429	2.032	17	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	114.4940	0.000	1	114.5450	0.005	2	114.6434	0.072	5	114.1429	2.032	17	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	114.5095	0.111	2	114.5095	0.012	2	114.6434	0.072	5	114.1429	2.032	17	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5a,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	114.2810	0.000	1	114.2810	0.000	1	114.2333	2.056	6	114.1429	2.032	17	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O){1|N<3>,2|H<1>,4|C<3>}	114.4690	0.000	1	114.4690	0.000	1	114.2333	2.056	6	114.1429	2.032	17	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[5a,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O){2|H<1>,4|C<3>}	113.3255	0.217	2	113.3255	0.047	2	114.2333	2.056	6	114.1429	2.032	17	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]Br)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|Br<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]Br){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	113.0820	0.000	1	113.0820	0.000	1	114.2333	2.056	6	114.1429	2.032	17	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	C[6a,6a](C[6a,6a]C[6a]S[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	116.9170	0.000	1	116.9170	0.000	1	114.2333	2.056	6	114.1429	2.032	17	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]C)(C[6a]N[5a,6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(O){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]C)(C[6a]N[5a,6a]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	115.3230	0.000	1	115.3230	0.000	1	115.3230	0.000	1	114.1429	2.032	17	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O){6|C<3>}	111.1470	0.000	1	111.1470	0.000	1	111.1510	0.000	2	114.1429	2.032	17	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	111.1550	0.000	1	111.1550	0.000	1	111.1510	0.000	2	114.1429	2.032	17	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:O-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(O)	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[5a,6a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]N[5a,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]H){4|C<3>}	114.2950	0.000	1	114.2950	0.000	1	114.2950	0.000	1	114.1429	2.032	17	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(C[6a]C[5,6a]H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,4|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]C){1|H<1>,4|C<3>}	114.8130	0.000	1	114.8130	0.000	1	114.9465	0.036	2	114.1429	2.032	17	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(C[6a]C[5,6a]H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,4|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|H<1>,4|C<3>}	115.0800	0.000	1	115.0800	0.000	1	114.9465	0.036	2	114.1429	2.032	17	113.7963	2.585	20	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:2:1:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]Cl)(O)	C[6a](C[6a]N[5,6a]O)(N[6a]C[6a])(Cl)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]Cl)(O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[5,6a]O)(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|Cl<1>,1|N<2>,4|H<1>}	110.9940	0.000	1	110.9940	0.000	1	110.9940	0.000	1	110.9940	0.000	1	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:2:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]H)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,3|H<1>}	116.4530	0.054	2	116.4530	0.003	2	116.4530	0.003	2	114.6041	16.588	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:2:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|N<2>,2|H<1>}	118.6480	0.000	1	118.4097	0.061	3	119.0912	0.634	6	114.6041	16.588	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:2:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|N<3>,2|H<1>}	118.1540	0.000	1	118.4097	0.061	3	119.0912	0.634	6	114.6041	16.588	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:2:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){2|C<3>,2|H<1>}	118.4270	0.000	1	118.4097	0.061	3	119.0912	0.634	6	114.6041	16.588	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:2:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<2>,2|H<1>}	119.7727	0.362	3	119.7727	0.131	3	119.0912	0.634	6	114.6041	16.588	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:2:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]){1|Cu<5>,1|C<3>,2|H<1>}	111.2400	0.064	2	110.7766	0.115	8	110.7766	0.115	8	114.6041	16.588	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:2:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]){1|Ni<6>,1|C<3>,2|H<1>}	110.5590	0.246	3	110.7766	0.115	8	110.7766	0.115	8	114.6041	16.588	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:2:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]){1|Pd<4>,1|C<3>,2|H<1>}	110.8890	0.000	1	110.7766	0.115	8	110.7766	0.115	8	114.6041	16.588	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:2:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]){1|Pt<4>,1|C<3>,2|H<1>}	110.5835	0.144	2	110.7766	0.115	8	110.7766	0.115	8	114.6041	16.588	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(Br)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	118.0940	0.000	1	118.0940	0.000	1	118.0940	0.000	1	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(Br)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	118.2340	0.000	1	118.2340	0.000	1	118.2340	0.000	1	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.2280	0.016	2	118.2280	0.000	2	118.4623	0.182	23	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	118.2941	0.403	13	118.2941	0.162	13	118.4623	0.182	23	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.1760	0.000	1	118.9860	0.072	2	118.4623	0.182	23	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.7960	0.000	1	118.9860	0.072	2	118.4623	0.182	23	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	118.8410	0.000	1	118.9635	0.030	2	118.4623	0.182	23	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	119.0860	0.000	1	118.9635	0.030	2	118.4623	0.182	23	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	118.8085	0.354	2	118.8085	0.126	2	118.4623	0.182	23	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.5920	0.000	1	118.5920	0.000	1	118.4623	0.182	23	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]C)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]C)(H){2|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.2470	0.000	1	118.2470	0.000	1	118.4623	0.182	23	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]2)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]2)(H){5|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	118.4180	0.000	1	118.4180	0.000	1	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd){1|C<4>,2|C<3>,2|H<1>}	119.4140	0.000	1	119.4140	0.000	1	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Fe)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Fe){1|C<3>,1|C<4>,3|H<1>}	119.3410	0.000	1	119.3410	0.000	1	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,3|H<1>}	118.3480	0.116	5	118.3480	0.014	5	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Ir)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Ir){2|C<3>,3|H<1>}	118.5465	0.015	2	118.5465	0.000	2	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	118.3890	0.537	2	119.1330	0.491	8	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<4>,2|C<3>,2|H<1>}	119.1382	0.556	4	119.1330	0.491	8	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<3>,1|C<4>,3|H<1>}	119.8665	0.193	2	119.1330	0.491	8	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,1|C<4>,3|H<1>}	118.9770	0.348	3	118.9770	0.121	3	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se){1|C<4>,2|C<3>,2|H<1>}	119.7520	0.000	1	119.7520	0.000	1	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,4|H<1>}	117.9750	0.000	1	118.5905	0.758	2	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	119.2060	0.000	1	118.5905	0.758	2	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,4|H<1>}	119.2490	0.632	2	118.9880	0.662	5	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	118.8140	1.006	3	118.9880	0.662	5	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>}	118.2590	0.000	1	118.2590	0.000	1	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	118.6430	0.000	1	118.6430	0.000	1	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,1|C<4>,2|H<1>}	118.5230	0.000	1	118.5230	0.000	1	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]N)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]N){1|C<3>,2|H<1>}	119.5090	0.000	1	119.5090	0.000	1	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]S)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<1>,1|S<2>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]S){1|C<3>,1|H<1>,1|O<2>}	118.8800	0.000	2	118.8800	0.000	2	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	118.1330	0.000	1	118.1330	0.000	1	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	120.1230	0.000	1	120.1230	0.000	1	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]H)(H)	N[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	N[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,2|C<3>}	117.0180	0.000	1	117.0180	0.000	1	118.8379	0.473	38	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]H)(H)	N[5,6a](C[5,6a]N[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<3>}	N[5,6a](C[5,6a]N[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	114.8570	0.000	1	114.8570	0.000	1	114.8570	0.000	1	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]O)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	111.9180	0.000	1	111.9180	0.000	1	111.9180	0.000	1	118.5166	1.292	65	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[5,6a]O)(H)	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[5,6a]O)(H){1|C<4>,2|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	113.5190	0.000	1	113.5190	0.000	1	114.6285	2.462	2	114.7705	0.805	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[5,6a]O)(H)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[5,6a]O)(H){1|C<4>,2|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	115.7380	0.000	1	115.7380	0.000	1	114.6285	2.462	2	114.7705	0.805	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){3|C<3>,3|C<4>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){2|H<1>,3|C<3>}	113.9530	0.000	1	113.9530	0.000	1	114.7908	0.736	14	114.7705	0.805	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(H){1|C<4>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	113.5470	0.000	1	113.9730	0.363	2	114.7908	0.736	14	114.7705	0.805	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	114.3990	0.000	1	113.9730	0.363	2	114.7908	0.736	14	114.7705	0.805	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,4|H<1>}	115.6962	0.315	4	115.6962	0.099	4	114.7908	0.736	14	114.7705	0.805	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,4|H<1>}	115.1718	0.306	4	115.1718	0.094	4	114.7908	0.736	14	114.7705	0.805	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){2|H<1>,3|C<3>}	113.8400	0.000	1	113.8400	0.000	1	114.7908	0.736	14	114.7705	0.805	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH){2|C<3>,4|H<1>}	113.5170	0.000	1	113.5170	0.000	1	114.7908	0.736	14	114.7705	0.805	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]N)(H)	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]N)(H){1|C<3>,1|C<4>}	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,3|H<1>}	114.3430	0.000	1	114.3430	0.000	1	114.7908	0.736	14	114.7705	0.805	16	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:4:3:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(H){1|C<3>,2|C<4>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	114.0190	0.000	1	114.0190	0.000	1	113.6602	0.159	5	113.6602	0.159	5	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:4:3:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){3|C<3>,3|H<1>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	113.5705	0.399	4	113.5705	0.159	4	113.6602	0.159	5	113.6602	0.159	5	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:6:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Ga[5,5]-6:C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]Ga[5,5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5,5]N[5,6]3Cl2)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]Ga[5,5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,2|C<3>,3|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H){1|Ga<6>,2|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5,5]N[5,6]3Cl2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	122.3040	0.000	1	122.3040	0.000	1	122.3040	0.000	1	121.9274	0.272	10	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:6:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Ga[5]-6:C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]Ga[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5]N[5,6]F3O)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]Ga[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>,3|F<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H){1|Ga<6>,2|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5]N[5,6]F3O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	122.1940	0.000	1	122.1940	0.000	1	122.1940	0.000	1	121.9274	0.272	10	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:6:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:In[5,5]-6:C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]In[5,5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5,5]N[5,6]3II)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]In[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|I<1>,3|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H){1|In<6>,2|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5,5]N[5,6]3II)(C[6a]C[6a]H){1|H<1>,8|C<3>}	122.2710	0.000	1	122.2710	0.000	1	122.2710	0.000	1	121.9274	0.272	10	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:6:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:In[5]-6:C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]In[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5]N[5,6]ClO3)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]In[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,3|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H){1|In<6>,2|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5]N[5,6]ClO3)(C[6a]C[6a]H){1|H<1>,4|C<3>}	122.7880	0.000	1	122.7880	0.000	1	122.7880	0.000	1	121.9274	0.272	10	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:6:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Si[3x5]-6:C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]Si[3x5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]Si[3x5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>,3|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H){1|Si<6>,2|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H){10|C<3>,1|H<1>}	121.4350	0.034	2	121.4350	0.001	2	121.4350	0.001	2	121.9274	0.272	10	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:6:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]CF3)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>,3|F<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H){1|Si<6>,2|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]CF3)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.9795	0.035	2	121.9795	0.001	2	121.7117	0.234	4	121.9274	0.272	10	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:6:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]Cl4)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H){4|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H){1|Si<6>,2|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]Cl4)(C[6a]C[6a]H){1|H<1>,4|C<3>}	121.8990	0.000	1	121.8990	0.000	1	121.7117	0.234	4	121.9274	0.272	10	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	3:6:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]N[5a]2NN)(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>,3|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H){1|Si<6>,2|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]N[5a]2NN)(C[6a]C[6a]H){1|H<1>,4|C<3>,4|N<2>}	120.9890	0.000	1	120.9890	0.000	1	121.7117	0.234	4	121.9274	0.272	10	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	4:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]O)(H)	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	118.2770	0.000	1	118.0560	0.098	2	118.0560	0.098	2	118.0560	0.098	2	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	4:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]O)(H)	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]O)(H){1|C<3>,1|C<4>}	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	117.8350	0.000	1	118.0560	0.098	2	118.0560	0.098	2	118.0560	0.098	2	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	6:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	In[3x4,5,3x6]-6:C[5,6a,6a]-3:C[6a]-3:	C[6a](N[5,6a]In[3x4,5,3x6]C[5,6a,6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H)	N[5,6a](In[3x4,5,3x6]S[3x4,3x6]3N[5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](N[5,6a]In[3x4,5,3x6]C[5,6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,3|S<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H){1|In<6>,2|C<3>}	N[5,6a](In[3x4,5,3x6]S[3x4,3x6]3N[5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H){3|In<6>,1|H<1>,4|C<3>}	122.6155	0.332	2	122.6155	0.110	2	122.6155	0.110	2	122.5253	0.079	3	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:1:	6:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	In[4,5,6]-6:C[5,6a,6a]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]In[4,5,6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H)	N[5,6a](In[4,5,6]Se[4,6]N[5,6]Se[4]Se[6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a,6a]In[4,5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|Se<3>,2|Se<2>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[5,6a]H)(H){1|In<6>,2|C<3>}	N[5,6a](In[4,5,6]Se[4,6]N[5,6]Se[4]Se[6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H){1|In<5>,2|In<4>,1|H<1>,4|C<3>}	122.3450	0.000	1	122.3450	0.000	1	122.3450	0.000	1	122.5253	0.079	3	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:2:	3:3:3:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(CN)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]C)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(CN){1|C<2>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]C){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	113.8580	0.000	1	113.8580	0.000	1	113.8580	0.000	1	113.8580	0.000	1	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:2:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(CN)	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O){1|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]C)(CN){1|C<3>,1|C<4>,1|H<1>}	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<2>,1|C<3>,2|O<2>,3|H<1>}	113.2140	0.000	1	113.2140	0.000	1	113.2140	0.000	1	112.9147	2.152	4	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:2:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NC)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NC){1|C<3>,1|C<4>,1|H<1>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<2>,3|H<1>}	114.8640	0.000	1	114.8640	0.000	1	114.8640	0.000	1	112.9147	2.152	4	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:2:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]2)(N[6a]N[6a])	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]2)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>}	111.7905	0.194	2	111.7905	0.038	2	111.7905	0.038	2	112.9147	2.152	4	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[5,6a]O)(COO)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[5,6a]O)(COO){1|C<4>,2|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	113.9420	0.000	1	113.9420	0.000	1	114.9718	0.671	4	114.8722	0.383	12	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[5,6a]O)(CNO)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]N[5,6a]O)(CNO){1|C<4>,2|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	115.3150	0.547	3	115.3150	0.299	3	114.9718	0.671	4	114.8722	0.383	12	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[5,6a]O)(C[6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(O){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]N[5,6a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	114.3750	0.000	1	114.3750	0.000	1	114.6884	0.443	5	114.8722	0.383	12	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[5,6a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	114.7668	0.741	4	114.7668	0.550	4	114.6884	0.443	5	114.8722	0.383	12	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	115.3210	0.000	1	115.3210	0.000	1	115.3210	0.000	1	114.8722	0.383	12	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NCH)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<3>,3|H<1>}	114.8110	0.000	1	114.9080	0.019	2	114.9080	0.019	2	114.8722	0.383	12	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:3:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NCH)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	115.0050	0.000	1	114.9080	0.019	2	114.9080	0.019	2	114.8722	0.383	12	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:3:	4:3:3:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]S)	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]N[5])(C[6a]C[6a]O)	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|C<4>}	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]2)(C[6a]N[6a]S){1|C<4>,2|H<1>,3|C<3>}	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]N[5])(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	113.5320	1.008	2	113.5320	1.017	2	113.5320	1.017	2	113.5320	1.017	2	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a](N[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]O)(CH3)	N[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]O)(CH3){1|C<4>,2|C<3>}	N[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<1>,2|C<4>,3|C<3>}	119.6260	0.000	1	119.6260	0.000	1	119.6260	0.000	1	119.5418	1.016	6	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(CC3)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Ir)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(CC3){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Ir){1|C<4>,2|C<3>,2|H<1>}	120.6110	0.264	2	120.6110	0.070	2	119.5250	1.267	5	119.5418	1.016	6	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(CF3)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(CF3){1|Cl<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|C<3>,3|C<4>}	118.9565	0.961	2	118.9565	0.923	2	119.5250	1.267	5	119.5418	1.016	6	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(CH3)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd){1|H<1>,2|C<3>,2|C<4>}	118.4900	0.000	1	118.4900	0.000	1	119.5250	1.267	5	119.5418	1.016	6	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:4:	3:3:4:	N[5,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O)	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]N[5,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	114.8770	0.311	2	114.8770	0.097	2	114.8770	0.097	2	114.8770	0.097	2	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:1:	3:3:4:	4:3:3:	N[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]O)(CH3)	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[6a]N[5,6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.3620	0.000	1	119.3620	0.000	1	119.3620	0.000	1	119.3620	0.000	1	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:2:	3:3:2:	3:3:3:	N[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(NH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[5,6a]N)(CN)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(NH){1|O<2>,1|S<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[5,6a]N)(CN){1|C<4>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N){1|C<2>,1|H<1>,4|C<3>}	114.6910	0.000	1	114.6910	0.000	1	114.6910	0.000	1	113.0830	5.171	2	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:2:	3:3:2:	3:3:3:	N[5,6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]C)(NH)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]N)(CN)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]N)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]C)(NH){1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]N)(CN){4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	111.4750	0.000	1	111.4750	0.000	1	111.4750	0.000	1	113.0830	5.171	2	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5,6a]C[6a])(C[6a]C[6a,6a]O)(H)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5,6a]C[6a])(C[6a]C[6a,6a]O)(H){1|C<4>,4|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH){3|H<1>,5|C<3>}	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:4:	3:3:1:	3:3:2:	N[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5,6a]C)(C[6a]N[6a]C)(H)	N[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]C)(N[5]C[5,6])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]C)(N[5]C[5,6]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	114.0450	0.000	1	114.0450	0.000	1	114.4422	0.040	6	115.3189	2.674	8	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:4:	3:3:1:	3:3:2:	N[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5,6a]C)(C[6a]N[6a]C)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]C)(N[5]C[5])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]){1|C<3>,3|H<1>}	114.5216	0.057	5	114.5216	0.003	5	114.4422	0.040	6	115.3189	2.674	8	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:4:	3:3:1:	3:3:2:	N[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5,6a]C)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(S[5]C[5])	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(S[5]C[5]){1|C<3>,1|N<2>,2|H<1>}	117.9490	0.262	2	117.9490	0.068	2	117.9490	0.068	2	115.3189	2.674	8	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:4:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5,6a]C)(C[6a]N[6a]C)(H)	N[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]C)	C[6a](N[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,3|N<2>}	C[6a](C[6a]N[5,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	N[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	115.9040	0.795	2	115.9040	0.632	2	115.9040	0.632	2	116.4532	0.639	6	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:4:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]N[5,6a]C)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]Rh)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]C)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]Rh){1|C<3>,2|C<4>,2|H<1>}	116.0855	0.090	2	116.0855	0.008	2	116.5227	0.577	3	116.4532	0.639	6	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:4:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5,6a]C)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]N[5]Rh)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CH3){1|Rh<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]N[5]Rh){2|C<3>,2|H<1>}	117.3970	0.000	1	117.3970	0.000	1	116.5227	0.577	3	116.4532	0.639	6	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:4:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(PCCO)	C[6a](C[6a]N[5,6a]P)(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]P)(C[5]N[5]Pd)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(PCCO){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]P)(C[5]N[5]Pd){2|C<3>,3|H<1>}	117.3430	0.000	1	117.3430	0.000	1	117.3430	0.000	1	116.4532	0.639	6	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5,6a]	3:3:4:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH)	C[6a](C[6a]N[5,6a]C)(C[6a]C[6a]C)(CCHH)	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]N[5,6a]C)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	116.5690	0.000	1	116.5690	0.000	1	116.5690	0.000	1	116.5690	0.000	1	117.0529	8.646	164	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(Cl)	C[6a](C[6a]N[5a,6a]Cl)(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]Cl)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H){1|N<2>,2|H<1>}	118.4680	0.000	1	118.4680	0.000	1	118.4680	0.000	1	117.3220	1.130	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|N<2>,3|H<1>}	117.1750	0.000	1	117.1750	0.000	1	117.0928	1.019	5	117.3220	1.130	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	117.7070	0.000	1	117.7070	0.000	1	117.0928	1.019	5	117.3220	1.130	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	117.5910	0.574	2	117.5910	0.330	2	117.0928	1.019	5	117.3220	1.130	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:2:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	115.4000	0.000	1	115.4000	0.000	1	117.0928	1.019	5	117.3220	1.130	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){4|C<3>}	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a])(CH3){1|O<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	119.3350	0.000	1	119.3350	0.000	1	119.3350	0.000	1	119.2090	0.032	2	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:2:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]O[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(O[6a]C[6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]O[6a]C)(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(O[6a]C[6a])(CH3){1|O<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.0830	0.000	1	119.0830	0.000	1	119.0830	0.000	1	119.2090	0.032	2	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:2:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.7090	0.000	1	118.7090	0.000	1	118.7090	0.000	1	118.4062	0.078	4	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:2:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	118.3053	0.237	3	118.3053	0.056	3	118.3053	0.056	3	118.4062	0.078	4	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]N[5a,6a]Cl)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	118.4980	0.000	1	118.5370	0.003	2	118.5370	0.003	2	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]N[5a,6a]Cl)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]Cl)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|C<3>,2|H<1>}	118.5760	0.000	1	118.5370	0.003	2	118.5370	0.003	2	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Cl)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Cl){1|C<3>,1|N<2>,1|O<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|O<2>}	115.2145	0.869	2	115.2145	0.755	2	115.2145	0.755	2	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|H<1>}	117.5000	0.000	1	117.5000	0.000	1	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]H)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>}	116.5410	0.000	1	116.5410	0.000	1	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(H){1|C<2>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	118.6310	0.496	2	118.0774	0.266	8	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(H){1|C<2>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	117.8928	0.399	6	118.0774	0.266	8	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	118.6720	0.000	1	118.6375	0.002	2	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	118.6030	0.000	1	118.6375	0.002	2	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	118.5200	0.000	1	118.6292	0.064	12	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>,2|S<2>}	119.1700	0.000	1	118.6292	0.064	12	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.4998	0.139	4	118.6292	0.064	12	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|F<1>,2|C<3>,2|H<1>}	118.5580	0.000	1	118.6292	0.064	12	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	118.9390	0.000	2	118.6292	0.064	12	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	118.4585	0.071	2	118.6292	0.064	12	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	118.5080	0.000	1	118.6292	0.064	12	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,3|H<1>}	117.4010	0.443	2	117.7026	0.178	7	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	117.7643	0.428	4	117.7026	0.178	7	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|O<1>,2|C<3>,2|H<1>}	118.0590	0.000	1	117.7026	0.178	7	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<2>,1|C<3>,1|H<1>}	117.1990	0.000	1	117.1990	0.000	1	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]Br)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]Br)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>}	117.1370	0.000	1	117.1370	0.000	1	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>}	116.2880	0.000	1	116.3310	0.004	2	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>}	116.3740	0.000	1	116.3310	0.004	2	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	116.6090	0.000	1	116.6090	0.000	1	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>}	116.0580	0.000	1	116.0580	0.000	1	117.9208	0.686	37	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]I)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(I)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	117.6240	0.000	1	117.6240	0.000	1	117.6240	0.000	1	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]N[5a,6a]I)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a]){1|C<2>,1|C<3>,2|H<1>}	117.6400	0.000	1	117.4250	0.092	2	117.4250	0.092	2	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]N[5a,6a]I)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a]){1|C<3>,3|H<1>}	117.2100	0.000	1	117.4250	0.092	2	117.4250	0.092	2	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]N[5a,6a]O)(H)	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O[6a])(C[6a]N[5a,6a]O)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	111.4020	0.174	2	111.5513	0.082	3	112.1949	1.991	16	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]N[5a,6a]O)(H)	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O[6a])(C[6a]N[5a,6a]O)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a]){2|C<3>,2|H<1>}	111.8500	0.000	1	111.5513	0.082	3	112.1949	1.991	16	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[6a](C[6a]C[6a]S[6a])(C[6a]N[5a,6a]O)(H)	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]S[6a])(C[6a]N[5a,6a]O)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	114.7390	0.000	1	114.7390	0.000	1	112.1949	1.991	16	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	112.4497	0.032	3	112.0594	0.149	7	112.1949	1.991	16	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	111.7070	0.154	2	112.0594	0.149	7	112.1949	1.991	16	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,3|H<1>}	111.9880	0.000	1	112.0594	0.149	7	112.1949	1.991	16	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	111.6650	0.000	1	112.0594	0.149	7	112.1949	1.991	16	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	110.8010	0.000	1	110.6037	0.076	3	112.1949	1.991	16	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,2|C<3>}	110.5050	0.307	2	110.6037	0.076	3	112.1949	1.991	16	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]S[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]S[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	114.4580	0.000	1	114.7490	0.169	2	112.1949	1.991	16	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]S[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]S[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,2|C<3>}	115.0400	0.000	1	114.7490	0.169	2	112.1949	1.991	16	116.3027	7.438	60	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[6a](C[6a]N[5a,6a]Br)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]N)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]Br)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]N){2|C<3>,2|H<1>}	120.1650	0.000	1	120.1650	0.000	1	120.1650	0.000	1	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.2210	0.000	1	120.2210	0.000	1	120.0355	0.069	2	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	119.8500	0.000	1	119.8500	0.000	1	120.0355	0.069	2	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	118.4815	0.962	2	118.8063	0.780	3	119.3654	0.484	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	119.4560	0.000	1	118.8063	0.780	3	119.3654	0.484	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	120.2040	0.379	2	119.7180	0.184	6	119.3654	0.484	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.4750	0.150	4	119.7180	0.184	6	119.3654	0.484	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.9270	0.000	1	118.9270	0.000	1	119.3654	0.484	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	120.2080	0.000	1	120.1167	0.136	6	119.9259	0.172	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.0300	0.000	1	120.1167	0.136	6	119.9259	0.172	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.0090	0.000	1	120.1167	0.136	6	119.9259	0.172	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	120.7770	0.000	1	120.1167	0.136	6	119.9259	0.172	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8380	0.250	2	120.1167	0.136	6	119.9259	0.172	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	120.0560	0.000	1	119.8695	0.070	2	119.9259	0.172	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6830	0.000	1	119.8695	0.070	2	119.9259	0.172	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	119.5500	0.000	1	119.5500	0.000	1	119.9259	0.172	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|S<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	119.2700	0.000	1	119.2700	0.000	1	119.9259	0.172	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	117.8040	0.000	1	117.8040	0.000	1	117.1955	0.982	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>}	118.6810	0.000	1	118.6810	0.000	1	117.1955	0.982	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	117.9720	0.000	1	116.9338	0.816	8	117.1955	0.982	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	117.9890	0.471	2	116.9338	0.816	8	117.1955	0.982	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	116.3613	0.086	3	116.9338	0.816	8	117.1955	0.982	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>}	116.2180	0.407	2	116.9338	0.816	8	117.1955	0.982	10	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(F)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(F){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	117.3015	0.183	2	117.3015	0.034	2	116.9227	0.447	3	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(F)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(F){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	116.1650	0.000	1	116.1650	0.000	1	116.9227	0.447	3	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	119.6435	0.243	2	119.3473	0.165	4	119.1450	0.328	5	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	118.8460	0.000	1	119.3473	0.165	4	119.1450	0.328	5	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	119.2560	0.000	1	119.3473	0.165	4	119.1450	0.328	5	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	118.3360	0.000	1	118.3360	0.000	1	119.1450	0.328	5	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](B[5a]B[5x3,5x5,20x6]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|B<6>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[5a,6a](B[5a]B[5x3,5x5,20x6]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	121.6230	0.192	2	121.6230	0.037	2	121.6230	0.037	2	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.1130	0.000	1	119.1130	0.000	1	119.0775	0.003	2	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.0420	0.000	1	119.0420	0.000	1	119.0775	0.003	2	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	118.9030	0.000	1	118.9030	0.000	1	119.1288	0.304	5	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	118.8540	0.115	2	118.8540	0.013	2	119.1288	0.304	5	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.1090	0.000	1	120.1090	0.000	1	119.1288	0.304	5	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	118.9240	0.000	1	118.9240	0.000	1	119.1288	0.304	5	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.3175	0.125	4	121.3175	0.016	4	121.1626	0.103	7	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.7165	0.049	2	120.7165	0.002	2	121.1626	0.103	7	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	121.4350	0.000	1	121.4350	0.000	1	121.1626	0.103	7	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.5950	0.000	1	119.1715	0.359	2	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7480	0.000	1	119.1715	0.359	2	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	119.7170	0.000	1	119.7170	0.000	1	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.7103	0.390	3	119.7103	0.152	3	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	119.6453	0.493	3	119.4969	0.322	10	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	118.8080	0.000	1	119.4969	0.322	10	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	118.3490	0.000	1	119.4969	0.322	10	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.5760	0.000	1	119.4969	0.322	10	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.9650	0.013	2	119.4969	0.322	10	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	119.5410	0.000	1	119.4969	0.322	10	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.8290	0.000	1	119.4969	0.322	10	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	118.0700	0.000	1	118.8712	0.215	12	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	118.6726	0.213	5	118.8712	0.215	12	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	118.8540	0.000	1	118.8712	0.215	12	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.3143	0.432	4	118.8712	0.215	12	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.9100	0.000	1	118.8712	0.215	12	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	119.8370	0.000	1	119.8370	0.000	1	119.2569	0.338	29	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[5a,6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	118.6895	0.298	2	118.6895	0.089	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	120.4670	0.000	1	120.4670	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.4030	0.000	1	120.4030	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|C<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	119.0600	0.000	1	119.4723	0.128	3	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	119.7000	0.000	1	119.4723	0.128	3	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6570	0.000	1	119.4723	0.128	3	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.4730	0.000	1	119.7000	0.448	3	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|C<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.3135	0.015	2	119.7000	0.448	3	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7180	0.000	1	118.7180	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	119.3200	0.194	2	119.3200	0.038	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	119.0540	0.000	1	119.0540	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.2800	0.000	1	118.2800	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	119.6210	0.000	1	119.5035	0.028	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	119.3860	0.000	1	119.5035	0.028	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.6390	0.000	1	118.6390	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.9340	0.000	1	118.9340	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4930	0.000	1	119.4930	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]Cl)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	119.3240	0.000	1	119.3240	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.1990	0.000	1	119.1990	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.4470	0.000	1	119.4470	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	119.7810	0.000	1	119.8050	0.001	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.8290	0.000	1	119.8050	0.001	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	119.2810	0.011	2	119.2810	0.000	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	119.2310	0.315	2	119.4001	0.205	26	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7010	0.696	2	119.4001	0.205	26	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.7683	0.304	3	119.4001	0.205	26	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	119.5010	0.184	2	119.4001	0.205	26	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	120.4660	0.000	1	119.4001	0.205	26	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.4586	0.386	5	119.4001	0.205	26	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	118.5450	0.000	1	119.4001	0.205	26	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	119.3991	0.215	9	119.4001	0.205	26	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3350	0.000	1	119.4001	0.205	26	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	119.9050	0.130	3	119.9248	0.270	18	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	118.9550	0.000	1	119.9248	0.270	18	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.4330	0.000	1	119.9248	0.270	18	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.4915	0.110	2	119.9248	0.270	18	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	119.4535	0.356	4	119.9248	0.270	18	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	119.9440	0.000	1	119.9248	0.270	18	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	119.9070	0.000	1	119.9248	0.270	18	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.0250	0.017	2	119.9248	0.270	18	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,5|C<3>}	120.6020	0.000	1	119.9248	0.270	18	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.6220	0.028	2	119.9248	0.270	18	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	119.8650	0.337	2	119.5294	0.149	5	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.3057	0.231	3	119.5294	0.149	5	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,4|H<1>}	119.4090	0.000	1	119.4090	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	118.3180	0.000	1	118.3180	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	119.7980	0.000	1	119.7980	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	118.8270	0.000	1	119.0868	0.189	12	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	119.2208	0.447	4	119.0868	0.189	12	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.4830	0.000	1	119.0868	0.189	12	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	119.0935	0.050	2	119.0868	0.189	12	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	118.8050	0.000	1	119.0868	0.189	12	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	118.7740	0.000	1	119.0868	0.189	12	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.0415	0.998	2	119.0868	0.189	12	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|H<1>}	119.2460	0.000	1	119.2460	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	119.0030	0.000	1	119.0030	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	119.1530	0.000	2	119.1530	0.000	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	118.2620	0.000	1	118.8580	0.157	30	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	118.8330	0.000	1	118.8580	0.157	30	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	118.6490	0.000	1	118.8580	0.157	30	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	119.1808	0.323	4	118.8580	0.157	30	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	118.7850	0.144	2	118.8580	0.157	30	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	118.5867	0.089	3	118.8580	0.157	30	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	119.0360	0.000	1	118.8580	0.157	30	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,2|H<1>}	119.0700	0.000	1	118.8580	0.157	30	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.8476	0.126	7	118.8580	0.157	30	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>}	117.9290	0.000	1	118.8580	0.157	30	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	118.5080	0.000	1	118.8580	0.157	30	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>}	119.0666	0.532	7	118.8580	0.157	30	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	118.2945	1.767	2	118.2945	3.123	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	118.3865	0.118	2	119.0702	0.138	15	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	119.0290	0.177	2	119.0702	0.138	15	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.2579	0.307	8	119.0702	0.138	15	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.0530	0.049	3	119.0702	0.138	15	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	118.5310	0.000	1	119.0633	0.226	12	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	119.9420	0.000	1	119.0633	0.226	12	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|H<1>}	119.0325	0.558	2	119.0633	0.226	12	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	119.0457	0.426	7	119.0633	0.226	12	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	118.9020	0.000	1	119.0633	0.226	12	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	117.8985	0.978	2	117.8985	0.956	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	118.0110	0.000	1	118.6022	0.197	16	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>}	118.3950	0.000	1	118.6022	0.197	16	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.7369	0.447	10	118.6022	0.197	16	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.4650	0.413	4	118.6022	0.197	16	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.7400	0.000	1	118.7400	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	118.1945	0.334	2	118.1945	0.112	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	118.3190	0.000	1	118.3190	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.8092	0.271	6	118.6851	0.117	9	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<3>,2|H<1>}	118.2610	0.000	1	118.6851	0.117	9	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.5250	0.494	2	118.6851	0.117	9	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.9885	0.544	6	118.9885	0.296	6	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	118.2980	0.000	1	118.5075	0.088	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7170	0.000	1	118.5075	0.088	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	117.8720	0.113	3	117.8720	0.013	3	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.6550	0.228	2	119.6550	0.052	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]N)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	120.5890	0.089	2	120.3560	0.099	7	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]N)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.2628	0.328	5	120.3560	0.099	7	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]N)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]N)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	120.1300	0.000	1	120.1300	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.3170	0.000	1	118.3170	0.000	1	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	117.6640	0.197	2	117.7100	0.026	3	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	117.8020	0.000	1	117.7100	0.026	3	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	118.6620	0.000	1	118.3655	0.176	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.0690	0.000	1	118.3655	0.176	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	118.0323	0.578	3	118.0323	0.334	3	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	117.5850	0.000	1	117.2325	0.249	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(H){2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	116.8800	0.000	1	117.2325	0.249	2	119.0872	0.504	217	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Br)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.4295	0.189	2	121.4295	0.036	2	121.4025	0.055	6	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Cl)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.5265	0.023	2	121.5265	0.001	2	121.4025	0.055	6	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	121.2515	0.401	2	121.2515	0.161	2	121.4025	0.055	6	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(I)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	118.7250	0.000	1	118.7250	0.000	1	118.7250	0.000	1	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	118.3975	0.395	2	118.4193	0.080	3	118.4193	0.080	3	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>}	118.4630	0.000	1	118.4193	0.080	3	118.4193	0.080	3	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(O){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]O){2|F<1>,3|C<3>,3|H<1>}	113.5380	0.412	2	113.5380	0.169	2	113.5380	0.169	2	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]B[5,5a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(O){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]B[5,5a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]O){2|O<2>,3|C<3>,3|H<1>}	113.4730	0.710	2	113.4730	0.504	2	113.4730	0.504	2	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O){3|H<1>,4|C<3>}	112.7043	0.354	3	112.7043	0.126	3	113.9837	7.179	6	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	112.8280	0.000	1	112.8280	0.000	1	113.9837	7.179	6	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	113.5710	0.000	1	113.5710	0.000	1	113.9837	7.179	6	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]S[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]S[6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	119.3900	0.000	1	119.3900	0.000	1	113.9837	7.179	6	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	111.2490	0.000	1	111.2490	0.000	1	111.6810	0.373	2	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]O)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]O)(H){2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	112.1130	0.000	1	112.1130	0.000	1	111.6810	0.373	2	118.9564	2.154	325	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:4:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5,5a]-4:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.7010	0.000	1	121.7010	0.000	1	121.7010	0.000	1	120.4875	0.200	30	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:4:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[5]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	120.5490	0.000	1	120.5490	0.000	1	120.4456	0.153	29	120.4875	0.200	30	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:4:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	120.4145	0.169	2	120.4515	0.012	4	120.4456	0.153	29	120.4875	0.200	30	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:4:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	120.4885	0.045	2	120.4515	0.012	4	120.4456	0.153	29	120.4875	0.200	30	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:4:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	120.4598	0.398	10	120.4598	0.158	10	120.4456	0.153	29	120.4875	0.200	30	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:4:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	120.8345	0.134	4	120.8345	0.018	4	120.4456	0.153	29	120.4875	0.200	30	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:4:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.4290	0.479	4	120.4290	0.230	4	120.4456	0.153	29	120.4875	0.200	30	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:4:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[6a]2N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[6a]2N[5a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	120.3023	0.095	3	120.3023	0.009	3	120.4456	0.153	29	120.4875	0.200	30	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:4:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]CC)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	120.2115	0.733	2	120.2115	0.538	2	120.4456	0.153	29	120.4875	0.200	30	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	3:4:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	119.5860	0.000	1	119.5860	0.000	1	120.4456	0.153	29	120.4875	0.200	30	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[5a,6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	121.9930	0.136	2	122.5443	0.288	6	122.2309	0.415	10	122.2309	0.415	10	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]N[5a,6a]H)(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]N[5a,6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	122.8200	0.412	4	122.5443	0.288	6	122.2309	0.415	10	122.2309	0.415	10	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	122.1980	0.246	2	122.1980	0.061	2	122.2309	0.415	10	122.2309	0.415	10	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:1:	4:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	121.3235	0.018	2	121.3235	0.000	2	122.2309	0.415	10	122.2309	0.415	10	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CN)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<3>}	118.3267	0.408	3	118.3267	0.166	3	118.3267	0.166	3	118.4262	0.244	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	118.1800	0.334	2	118.1800	0.111	2	118.1800	0.111	2	118.4262	0.244	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(O[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(H){1|H<1>,5|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	119.2170	0.000	1	119.2170	0.000	1	119.2170	0.000	1	118.4262	0.244	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:2:	4:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CC)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CC){1|B<4>,1|C<3>,1|H<1>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>,4|C<4>}	121.7630	0.011	2	121.7630	0.000	2	121.7630	0.000	2	121.7630	0.000	2	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	117.1300	0.000	1	117.1467	0.005	3	117.1467	0.005	3	117.6587	1.052	4	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	117.1550	0.098	2	117.1467	0.005	3	117.1467	0.005	3	117.6587	1.052	4	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]C)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|N<2>,5|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(C[6a]N[6a]C){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	119.1950	0.000	1	119.1950	0.000	1	119.1950	0.000	1	117.6587	1.052	4	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(COO)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(H){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(COO){1|N<3>,1|O<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	119.9470	0.000	1	119.9470	0.000	1	119.9470	0.000	1	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]H)(COO){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,3|C<3>}	121.2050	0.000	1	121.2050	0.000	1	121.2050	0.000	1	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CCO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	119.4680	0.000	1	119.4680	0.000	1	119.4485	0.001	2	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(COO){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.4290	0.000	1	119.4290	0.000	1	119.4485	0.001	2	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	120.5150	0.252	2	120.5150	0.063	2	120.5150	0.063	2	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	120.9660	0.000	1	120.6560	0.192	2	120.0774	0.310	7	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){7|C<3>}	120.3460	0.000	1	120.6560	0.192	2	120.0774	0.310	7	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){4|C<3>}	119.1360	0.000	1	119.8460	0.183	5	120.0774	0.310	7	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	120.0235	0.183	4	119.8460	0.183	5	120.0774	0.310	7	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(NOO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	117.4140	0.000	1	117.5625	0.044	2	117.4797	0.043	3	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(NOO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	117.7110	0.000	1	117.5625	0.044	2	117.4797	0.043	3	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(NOO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.3140	0.000	1	117.3140	0.000	1	117.4797	0.043	3	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[5a])(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[5a])(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	118.2170	0.455	2	118.2170	0.207	2	118.2170	0.207	2	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(CHO)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(CHO){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){2|H<1>,4|C<3>}	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(CHO)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(CHO){2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,1|S<2>,2|C<3>}	112.2980	0.000	1	112.2980	0.000	1	111.8000	0.203	3	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>}	111.4210	0.000	1	111.5510	0.034	2	111.8000	0.203	3	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	111.6810	0.000	1	111.5510	0.034	2	111.8000	0.203	3	118.1091	9.995	22	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:3:	4:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>,4|C<4>}	122.5325	0.168	2	122.5325	0.028	2	122.5325	0.028	2	122.5325	0.028	2	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	121.2770	0.000	1	121.2770	0.000	1	119.9206	0.605	5	118.9992	5.578	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(CH3){1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	119.4600	0.180	2	119.4600	0.032	2	119.9206	0.605	5	118.9992	5.578	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	119.8200	0.000	1	119.8200	0.000	1	119.9206	0.605	5	118.9992	5.578	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:2:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	119.5860	0.000	1	119.5860	0.000	1	119.9206	0.605	5	118.9992	5.578	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:2:	N[5a,6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(CCHH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(O){1|C<4>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	114.3920	0.000	1	114.3920	0.000	1	114.3920	0.000	1	118.9992	5.578	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	120.5300	0.000	1	120.5300	0.000	1	120.5300	0.000	1	120.2857	1.104	14	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]C)(CH3){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.9750	0.000	1	121.9750	0.000	1	119.9832	0.922	10	120.2857	1.104	14	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CCHH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CCHH){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	120.7970	0.000	1	120.7970	0.000	1	119.9832	0.922	10	120.2857	1.104	14	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CF3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CF3){1|Cl<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>}	118.2490	0.000	1	118.2490	0.000	1	119.9832	0.922	10	120.2857	1.104	14	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3){3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	119.6445	0.094	2	119.6445	0.009	2	119.9832	0.922	10	120.2857	1.104	14	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	120.2930	0.000	1	120.2930	0.000	1	119.9832	0.922	10	120.2857	1.104	14	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	119.8683	0.284	3	119.8683	0.080	3	119.9832	0.922	10	120.2857	1.104	14	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.6240	0.000	1	119.6240	0.000	1	119.9832	0.922	10	120.2857	1.104	14	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.9620	0.000	1	119.9620	0.000	1	119.9620	0.000	1	120.2857	1.104	14	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:1:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]H)(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H){5|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]H)(CH3){1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	121.8380	0.397	2	121.8380	0.158	2	121.8380	0.158	2	120.2857	1.104	14	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NH)	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NH){1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|N<2>,3|N<3>}	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN)	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	120.4830	0.000	1	120.4830	0.000	1	120.4830	0.000	1	119.6996	0.861	8	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	120.6560	0.000	1	119.7357	0.639	3	119.3420	0.558	6	119.6996	0.861	8	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	119.2755	0.081	2	119.7357	0.639	3	119.3420	0.558	6	119.6996	0.861	8	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	118.8330	0.000	1	118.8330	0.000	1	119.3420	0.558	6	119.6996	0.861	8	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6])	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){2|C<3>,2|H<1>}	118.4760	0.000	1	118.4760	0.000	1	119.3420	0.558	6	119.6996	0.861	8	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){2|C<3>,2|H<1>}	119.5360	0.000	1	119.5360	0.000	1	119.3420	0.558	6	119.6996	0.861	8	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(OC)	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]O)	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(OC){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	121.0620	0.000	1	121.0620	0.000	1	121.0620	0.000	1	119.6996	0.861	8	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]N)(CN)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN){1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]N)(CN){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,3|C<2>}	118.5750	0.000	1	118.5750	0.000	1	118.5750	0.000	1	118.5750	0.000	1	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CC){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]2)(C[6a]N[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	116.6780	0.000	1	116.6780	0.000	1	116.6780	0.000	1	116.6780	0.000	1	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a])(H){1|O<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	114.8970	0.000	1	114.8970	0.000	1	114.8970	0.000	1	114.8970	0.000	1	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(NHH)	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(CN)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(NHH){1|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(CN){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<2>,1|N<2>,1|N<3>}	110.9150	0.000	1	110.9150	0.000	1	110.9150	0.000	1	110.9150	0.000	1	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NHH)	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NHH){1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|N<2>,2|N<3>}	110.2745	0.045	2	110.2745	0.002	2	110.2745	0.002	2	110.2745	0.002	2	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	115.0760	0.000	1	115.0760	0.000	1	115.4000	1.413	3	115.4000	1.413	3	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	114.4070	0.000	1	114.4070	0.000	1	115.4000	1.413	3	115.4000	1.413	3	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:2:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]S)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]S)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	116.7170	0.000	1	116.7170	0.000	1	115.4000	1.413	3	115.4000	1.413	3	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,3|N<2>}	C[6a](C[6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H){2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	116.1690	0.000	1	116.1690	0.000	1	116.1690	0.000	1	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	114.6390	0.000	1	114.6390	0.000	1	114.6390	0.000	1	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	117.0375	0.360	2	116.9075	0.153	10	116.8459	0.160	13	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	116.9143	0.524	3	116.9075	0.153	10	116.8459	0.160	13	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	116.5930	0.634	2	116.9075	0.153	10	116.8459	0.160	13	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	117.0825	0.059	2	116.9075	0.153	10	116.8459	0.160	13	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	116.9060	0.000	1	116.9075	0.153	10	116.8459	0.160	13	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,5|C<3>}	116.1490	0.000	1	116.1490	0.000	1	116.8459	0.160	13	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[5a,6a]C[6a])(H){2|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	116.7880	0.000	1	116.8865	0.019	2	116.8459	0.160	13	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[5a,6a]C[6a])(H){2|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	116.9850	0.000	1	116.8865	0.019	2	116.8459	0.160	13	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(H){1|C<2>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	115.2440	0.000	1	115.2440	0.000	1	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	117.1140	0.007	2	116.8477	0.213	3	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	116.3150	0.000	1	116.8477	0.213	3	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	116.3250	0.000	1	116.3250	0.000	1	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	115.6665	0.652	4	115.8742	0.215	9	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,3|C<3>}	116.0752	0.192	4	115.8742	0.215	9	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|H<1>,3|C<3>}	115.9010	0.000	1	115.8742	0.215	9	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H){1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	115.1840	0.000	1	115.1840	0.000	1	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	114.7140	0.000	1	114.7140	0.000	1	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	114.5370	0.000	1	114.5370	0.000	1	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	115.2590	0.000	1	115.5119	0.177	8	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	114.7810	0.000	1	115.5119	0.177	8	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|I<1>,3|C<3>}	115.3800	0.373	2	115.5119	0.177	8	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	115.6960	0.000	1	115.5119	0.177	8	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	115.8663	0.163	3	115.5119	0.177	8	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,4|C<3>}	113.7970	1.479	2	113.8928	0.761	4	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	113.9885	0.238	2	113.8928	0.761	4	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]O)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,3|C<3>,3|H<1>}	116.7750	0.000	1	116.9336	0.099	5	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]O)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	117.0440	0.000	1	116.9336	0.099	5	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]O)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	117.3490	0.000	1	116.9336	0.099	5	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]O)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,4|H<1>}	116.7500	0.346	2	116.9336	0.099	5	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]O[6a]O)(H)	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]O[6a]O)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	115.5230	0.000	1	115.5230	0.000	1	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	117.2730	0.000	1	117.2730	0.000	1	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]H)(H){2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	115.3705	0.276	2	115.3705	0.076	2	115.7181	1.006	38	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]O)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|O<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]O)(H){1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|H<1>,2|C<3>}	116.0850	0.000	1	116.0850	0.000	1	115.0381	0.744	8	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	115.3528	0.317	4	115.3528	0.100	4	115.0381	0.744	8	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]Cl)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Cl<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]Cl)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	115.2850	0.000	1	115.2850	0.000	1	115.0381	0.744	8	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	113.7620	0.313	2	113.7620	0.098	2	115.0381	0.744	8	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6]2)	C[6a](C[6a]N[5a,6a]P)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6]2){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,3|H<1>}	114.8770	0.000	1	114.8770	0.000	1	115.4536	0.117	5	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]N[5a,6a]P)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	115.5300	0.158	2	115.5978	0.018	4	115.4536	0.117	5	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]N[5a,6a]P)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,3|H<1>}	115.5930	0.000	1	115.5978	0.018	4	115.4536	0.117	5	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]N[5a,6a]P)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){2|C<3>,2|H<1>}	115.7380	0.000	1	115.5978	0.018	4	115.4536	0.117	5	115.8282	1.015	66	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CC[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CC[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H){1|N<3>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>}	117.7630	0.000	1	117.7630	0.000	1	118.9905	3.014	2	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(COO)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(COO){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H){1|N<3>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|N<3>,2|H<1>,4|C<3>}	120.2180	0.000	1	120.2180	0.000	1	118.9905	3.014	2	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	117.6650	0.000	1	117.6650	0.000	1	117.6650	0.000	1	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[5a,6a]C[6a])(H){6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	119.1090	0.000	1	119.1090	0.000	1	119.1090	0.000	1	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]F)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(F)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]F)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(F){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|F<1>,5|C<3>}	116.2560	0.000	1	116.2560	0.000	1	116.2560	0.000	1	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	118.4260	0.000	1	118.4260	0.000	1	117.4350	0.401	5	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	117.6850	0.000	1	117.3350	0.245	2	117.4350	0.401	5	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	116.9850	0.000	1	117.3350	0.245	2	117.4350	0.401	5	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	117.0395	0.207	2	117.0395	0.043	2	117.4350	0.401	5	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(I)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(I){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|I<1>,6|C<3>}	117.7900	0.000	1	117.7900	0.000	1	117.7900	0.000	1	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a,6a]O)(H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a,6a]O)(H){1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	118.7885	0.211	2	118.7885	0.045	2	118.7885	0.045	2	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[5a]N[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[5a]N[6a])(H){1|N<3>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	118.1390	0.000	1	118.1390	0.000	1	120.1929	7.227	9	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	122.9677	0.457	3	122.9718	0.139	4	120.1929	7.227	9	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){4|H<1>,5|C<3>}	122.9840	0.000	1	122.9718	0.139	4	120.1929	7.227	9	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	118.5070	0.106	2	118.2707	0.173	3	120.1929	7.227	9	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(H){7|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	117.7980	0.000	1	118.2707	0.173	3	120.1929	7.227	9	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(H){6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	116.8980	0.000	1	116.8980	0.000	1	120.1929	7.227	9	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<2>,1|H<1>,3|C<3>}	116.3620	0.000	1	116.3620	0.000	1	116.3620	0.000	1	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[5a])	C[6a](N[5a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N[5a])(H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[5a]){3|H<1>,6|C<3>}	120.5170	0.000	1	120.5170	0.000	1	120.5170	0.000	1	118.8403	4.654	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)(CN)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH){1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)(CN){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<2>,1|H<1>,2|C<3>}	115.2660	0.000	1	115.2660	0.000	1	115.2660	0.000	1	115.6147	0.322	7	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]2)(CN)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH){4|C<3>}	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]2)(CN){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	115.9905	0.417	4	115.9905	0.174	4	115.9905	0.174	4	115.6147	0.322	7	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(NHH)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(NN)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(NHH){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)(NN){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	115.0375	0.235	2	115.0375	0.055	2	115.0375	0.055	2	115.6147	0.322	7	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH)	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]O)(CN)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH){1|O<1>,1|S<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]N)(C[6a]C[6a]O)(CN){1|C<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	117.8910	0.000	1	117.8910	0.000	1	117.8910	0.000	1	117.8910	0.000	1	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:2:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){7|C<3>}	118.3500	0.000	1	118.3500	0.000	1	118.3500	0.000	1	118.3500	0.000	1	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	117.2660	0.000	1	117.2660	0.000	1	117.2660	0.000	1	116.0603	2.547	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(CC[6a]O){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	116.2530	0.000	1	116.2530	0.000	1	116.2530	0.000	1	116.0603	2.547	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	116.0603	2.547	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(NHH){1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]N)(COO){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	117.2240	0.000	1	117.2240	0.000	1	117.2240	0.000	1	116.0603	2.547	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH)	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)(COO)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)(COO){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|S<2>,2|C<3>}	114.0735	0.029	2	114.0735	0.001	2	114.0735	0.001	2	116.0603	2.547	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){8|C<3>}	119.3190	0.042	2	119.3190	0.002	2	119.2605	0.036	4	118.8921	0.878	9	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	119.2020	0.305	2	119.2020	0.093	2	119.2605	0.036	4	118.8921	0.878	9	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(COO)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(COO){1|H<1>,1|N<3>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	119.3280	0.000	1	119.3280	0.000	1	119.3280	0.000	1	118.8921	0.878	9	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(COO)	N[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(COO){1|H<1>,1|N<3>,5|C<3>}	N[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){7|C<3>}	117.2450	0.000	1	117.2450	0.000	1	117.2450	0.000	1	118.8921	0.878	9	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](N[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	119.5600	0.151	2	119.5600	0.023	2	119.5600	0.023	2	118.8921	0.878	9	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(COO)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(COO){4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	117.2940	0.000	1	117.2940	0.000	1	117.2940	0.000	1	118.8921	0.878	9	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(CH3)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,4|C<3>}	118.4700	0.180	3	118.4700	0.032	3	118.4700	0.032	3	118.4700	0.032	3	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	119.0600	0.000	1	119.0600	0.000	1	119.0600	0.000	1	119.0600	0.000	1	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:2:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(CCCH)	C[6a](C[6a]N[5a,6a]C)(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(CCCH){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>}	115.0935	0.202	2	115.0935	0.041	2	115.0935	0.041	2	115.0935	0.041	2	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	116.6705	0.021	2	116.6705	0.000	2	116.7585	1.109	4	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){2|C<3>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	115.5630	0.000	1	115.5630	0.000	1	116.7585	1.109	4	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHHO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHHO){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	118.1300	0.000	1	118.1300	0.000	1	116.7585	1.109	4	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(H)	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	117.2100	0.000	1	117.2100	0.000	1	117.2100	0.000	1	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]N[5a,6a]C)(H){1|Fe<10>,1|C<2>,1|C<3>,1|N<2>,2|C<4>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	118.8230	0.000	1	118.8230	0.000	1	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	115.6420	0.000	1	115.6420	0.000	1	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	115.7275	0.059	2	115.3920	0.152	4	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	115.0820	0.000	1	115.3920	0.152	4	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){2|C<3>,2|N<2>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	115.0310	0.000	1	115.3920	0.152	4	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	116.8060	0.000	1	116.6770	0.021	3	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	116.6125	0.134	2	116.6770	0.021	3	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	116.9820	0.000	1	116.6690	0.196	2	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCl3){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	116.3560	0.000	1	116.6690	0.196	2	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	118.5165	0.203	4	118.4283	0.053	6	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	118.4050	0.000	1	118.4283	0.053	6	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CF3){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	118.0990	0.000	1	118.4283	0.053	6	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	115.5105	0.349	2	115.6697	0.137	3	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	115.9880	0.000	1	115.6697	0.137	3	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	115.1120	0.000	1	114.9902	0.071	19	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>}	114.6720	0.331	2	114.9902	0.071	19	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>}	115.0160	0.000	1	114.9902	0.071	19	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	115.0228	0.259	15	114.9902	0.071	19	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]O)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	116.4120	0.000	1	116.4120	0.000	1	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]O)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]N[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<3>,1|O<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]O)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,2|H<1>}	115.5920	0.000	1	115.5920	0.000	1	115.9463	1.742	41	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[3])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H){4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[3])(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	115.7000	0.000	1	116.2090	0.518	2	116.2090	0.518	2	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[3])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[3]C[3]2H){4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[3])(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	116.7180	0.000	1	116.2090	0.518	2	116.2090	0.518	2	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:C[3]-4:	C[6a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]I)(C[3]C[3]2H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[3])(I)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]I)(C[3]C[3]2H){4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[3])(I){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){1|H<1>,1|I<1>,3|C<3>,3|C<4>}	115.8860	0.000	1	115.8860	0.000	1	115.8860	0.000	1	116.0479	1.612	49	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CF3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CF3){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	120.9470	0.000	1	120.9470	0.000	1	119.1013	2.677	3	117.4920	1.112	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(CH3){1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	118.1785	0.494	2	118.1785	0.244	2	119.1013	2.677	3	117.4920	1.112	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	118.3640	0.000	1	118.2835	0.013	2	118.2835	0.013	2	117.4920	1.112	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CH3){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	118.2030	0.000	1	118.2835	0.013	2	118.2835	0.013	2	117.4920	1.112	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCCH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(H){2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,2|H<1>}	116.2380	0.298	2	116.2380	0.089	2	117.1110	0.474	17	117.4920	1.112	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	117.1880	0.000	1	117.2991	0.019	7	117.1110	0.474	17	117.4920	1.112	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|Br<1>,1|C<2>,1|C<3>,2|H<1>}	117.3650	0.192	3	117.2991	0.019	7	117.1110	0.474	17	117.4920	1.112	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	117.2160	0.000	1	117.2991	0.019	7	117.1110	0.474	17	117.4920	1.112	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	117.2975	0.083	2	117.2991	0.019	7	117.1110	0.474	17	117.4920	1.112	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|I<1>,2|H<1>,3|C<3>}	117.1303	1.317	4	117.1303	1.735	4	117.1110	0.474	17	117.4920	1.112	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	117.5840	0.000	1	117.2875	0.176	2	117.1110	0.474	17	117.4920	1.112	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	116.9910	0.000	1	117.2875	0.176	2	117.1110	0.474	17	117.4920	1.112	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){2|C<3>,2|H<1>}	116.8220	0.000	1	116.8220	0.000	1	117.1110	0.474	17	117.4920	1.112	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]O)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|N<3>,1|O<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]O)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,2|H<1>}	117.3990	0.000	1	117.3990	0.000	1	117.1110	0.474	17	117.4920	1.112	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]H)(CH3)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]H)(CH3){1|N<2>,4|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,3|C<3>}	117.5245	1.068	2	117.5245	1.142	2	117.5245	1.142	2	117.4920	1.112	24	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(CN)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,2|N<2>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(CN){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>}	113.7400	0.000	1	113.7400	0.000	1	113.7400	0.000	1	113.7400	0.000	1	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(COO)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(COO){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,2|C<3>}	114.6990	0.000	1	114.6990	0.000	1	114.9520	0.128	2	114.9520	0.128	2	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(COO)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]H)(COO){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	115.2050	0.000	1	115.2050	0.000	1	114.9520	0.128	2	114.9520	0.128	2	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:N[5a,6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(CH3){1|N<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){6|C<3>}	118.3840	0.000	1	118.3840	0.000	1	118.3840	0.000	1	118.2955	0.016	2	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(COO)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C)(COO){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,3|C<3>}	118.2070	0.000	1	118.2070	0.000	1	118.2070	0.000	1	118.2955	0.016	2	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:4:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[5a,6a]C)(CCHH)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)(CCHH){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[5a,6a]C)(CCHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	118.3225	0.633	2	118.3225	0.401	2	118.3225	0.401	2	116.7762	2.086	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:4:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]N[5a,6a]C)(CH3){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	116.6895	0.933	2	116.6895	0.870	2	116.0030	0.953	4	116.7762	2.086	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:4:	3:3:2:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(CH3)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,2|N<2>}	C[6a](C[6a]N[5a,6a]C)(C[6a]N[6a]C)(CH3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	115.3165	0.322	2	115.3165	0.104	2	116.0030	0.953	4	116.7762	2.086	6	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH)	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]C)(CCHH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CCHH){1|C<4>,4|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]C)(CCHH){1|C<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	119.5600	0.000	1	119.5600	0.000	1	119.3420	0.095	2	119.3420	0.095	2	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP2	C[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3)	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]N[5a,6a]C)(C[6a]C[6a]H)(CH3){1|C<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	119.1240	0.000	1	119.1240	0.000	1	119.3420	0.095	2	119.3420	0.095	2	118.1207	5.107	717	117.4586	5.604	1278
643	643	813	6:SP2_SP2_SP3	C[6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:4:3:	3:3:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a])	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	116.9070	0.000	1	116.9070	0.000	1	116.9070	0.000	1	116.9070	0.000	1	116.9070	0.000	1	116.7590	0.227	3
643	643	813	6:SP2_SP2_SP3	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])	C[6a,6a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	117.1440	0.000	1	117.1440	0.000	1	117.1440	0.000	1	116.6850	0.421	2	116.6850	0.421	2	116.7590	0.227	3
643	643	813	6:SP2_SP2_SP3	C[6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](N[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,5|C<3>}	116.2260	0.000	1	116.2260	0.000	1	116.2260	0.000	1	116.6850	0.421	2	116.6850	0.421	2	116.7590	0.227	3