727	813	933	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	O[6a]	3:3:2:	3:3:2:	3:3:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a,6a]){1|C<4>,1|O<1>,4|C<3>}	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>}	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	123.0090	0.000	1	123.0090	0.000	1	123.0090	0.000	1	123.5378	0.170	6	123.5378	0.170	6	123.5378	0.170	6
727	813	933	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	O[6a]	3:3:2:	3:3:2:	3:3:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	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>}	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|Cl<1>,1|N<2>,3|C<3>}	123.7705	0.367	2	123.7247	0.074	3	123.6436	0.128	5	123.5378	0.170	6	123.5378	0.170	6	123.5378	0.170	6
727	813	933	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	O[6a]	3:3:2:	3:3:2:	3:3:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	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>}	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	123.6330	0.000	1	123.7247	0.074	3	123.6436	0.128	5	123.5378	0.170	6	123.5378	0.170	6	123.5378	0.170	6
727	813	933	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	O[6a]	3:3:2:	3:3:2:	3:3:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	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>}	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	123.9200	0.000	1	123.5220	0.317	2	123.6436	0.128	5	123.5378	0.170	6	123.5378	0.170	6	123.5378	0.170	6
727	813	933	0:SP2_SP2_SP2	C[5a,6a]	N[5a]	O[6a]	3:3:2:	3:3:2:	3:3:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|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>}	O[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O){1|H<1>,1|N<2>,3|C<3>}	123.1240	0.000	1	123.5220	0.317	2	123.6436	0.128	5	123.5378	0.170	6	123.5378	0.170	6	123.5378	0.170	6
727	813	933	6:SP2_SP2_SP2	C[5a,6a]	N[5a,6a]	O[6a]	3:3:2:	3:3:2:	3:3:	N[5a,6a]-3:C[5a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	O[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a]){1|O<1>,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>}	O[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	120.6130	0.000	1	120.6130	0.000	1	120.9958	0.155	4	120.9958	0.155	4	120.9958	0.155	4	120.9958	0.155	4
727	813	933	6:SP2_SP2_SP2	C[5a,6a]	N[5a,6a]	O[6a]	3:3:2:	3:3:2:	3:3:	N[5a,6a]-3:C[5a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a])	O[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a]){1|C<4>,1|O<1>,2|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>}	O[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	120.9190	0.140	2	121.1233	0.135	3	120.9958	0.155	4	120.9958	0.155	4	120.9958	0.155	4	120.9958	0.155	4
727	813	933	6:SP2_SP2_SP2	C[5a,6a]	N[5a,6a]	O[6a]	3:3:2:	3:3:2:	3:3:	N[5a,6a]-3:C[5a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a])	O[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a]){1|O<1>,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>}	O[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	121.5320	0.000	1	121.1233	0.135	3	120.9958	0.155	4	120.9958	0.155	4	120.9958	0.155	4	120.9958	0.155	4
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5,5a]	N	3:2:2:	3:3:3:	3:3:	N[5,5a]-3:S[5a]-2:N-2:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6a])(S[5a]N[5a])(NC[6a])	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]O[5])(C[5a]S[5a]N)	N(C[5a]N[5,5a]S[5a])(C[6a]C[6a]2)	C[5a](N[5,5a]C[5,5a]C[5,6a])(S[5a]N[5a])(NC[6a]){1|O<2>,2|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]O[5])(C[5a]S[5a]N){1|H<1>,2|C<3>}	N(C[5a]N[5,5a]S[5a])(C[6a]C[6a]2)	124.7510	0.000	1	124.7510	0.000	1	124.7510	0.000	1	124.7510	0.000	1	123.4403	20.263	3	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5,5a]	N	3:3:2:	3:3:2:	3:3:	N[5,5a]-3:N[5a]-3:N-2:	C[5,5a]-3:C[5a]-3:N[5]-2:	C[5a]-3:N-3:	C[5a](N[5,5a]C[5,5a]N[5])(N[5a]N[5a]H)(NN)	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5])	N(C[5a]N[5,5a]N[5a])(NOO)	C[5a](N[5,5a]C[5,5a]N[5])(N[5a]N[5a]H)(NN){1|C<3>,1|N<3>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]N[5a]N)(N[5]C[5]){1|H<1>,2|N<2>}	N(C[5a]N[5,5a]N[5a])(NOO)	118.4290	0.000	1	118.4290	0.000	1	118.4290	0.000	1	118.4290	0.000	1	123.4403	20.263	3	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5,5a]	N	3:3:2:	3:4:3:	3:4:	N[5,5a]-3:C[5a]-3:N-2:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:C-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(NC)	N[5,5a](C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)(C[5a]C[5a]N)	N(C[5a]N[5,5a]C[5a])(CC3)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(NC){1|H<1>,1|S<2>,4|C<3>}	N[5,5a](C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)(C[5a]C[5a]N){1|N<2>,3|C<3>}	N(C[5a]N[5,5a]C[5a])(CC3)	127.1410	0.000	1	127.1410	0.000	1	127.1410	0.000	1	127.1410	0.000	1	123.4403	20.263	3	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,5a]	N	3:3:2:	3:3:2:	3:2:	N[5a,5a]-3:C[5a]-3:N-2:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N-2:	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(NN)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a])	N(C[5a]N[5a,5a]C[5a])(NC[6a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(NN){1|H<1>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	N(C[5a]N[5a,5a]C[5a])(NC[6a])	118.3210	0.000	1	118.3210	0.000	1	118.3210	0.000	1	118.3210	0.000	1	127.1541	46.910	7	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,5a]	N	3:3:2:	3:3:2:	3:4:	N[5a,5a]-3:C[5a]-3:N-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C-4:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(NC)	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a])	N(C[5a]N[5a,5a]C[5a])(CC3)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(NC){4|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,2|C<4>}	N(C[5a]N[5a,5a]C[5a])(CC3)	136.4100	0.443	2	136.4100	0.196	2	136.4100	0.196	2	136.4100	0.196	2	127.1541	46.910	7	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,5a]	N	3:3:2:	3:3:3:	3:2:	N[5a,5a]-3:C[5a]-3:N-2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N-2:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NN)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]N)	N(C[5a]N[5a,5a]C[5a])(NC[6a])	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(NN){1|C<3>,1|N<2>,2|H<1>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]N){1|C<3>,2|H<1>}	N(C[5a]N[5a,5a]C[5a])(NC[6a])	123.9500	0.740	3	123.9500	0.547	3	123.9500	0.547	3	123.9500	0.547	3	127.1541	46.910	7	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,5a]	N	3:3:2:	3:4:3:	3:2:	N[5a,5a]-3:C[5a]-3:N-2:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a]-3:N-2:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(NN)	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]N)	N(C[5a]N[5a,5a]C[5a])(NC[6a])	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(NN){1|H<1>,1|N<2>,1|N<3>,2|F<1>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(B[5a]N[5a]FF)(C[5a]C[5a]N){1|C<3>,2|H<1>}	N(C[5a]N[5a,5a]C[5a])(NC[6a])	127.0880	0.000	1	127.0880	0.000	1	127.0880	0.000	1	127.0880	0.000	1	127.1541	46.910	7	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,6]	N	3:2:2:	3:3:3:	3:3:	N[5a,6]-3:N[5a]-2:N-2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(NC[6a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(C[5a]N[5a]N)	N(C[5a]N[5a,6]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(NC[6a]){1|C<4>,1|N<2>,2|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>}	N(C[5a]N[5a,6]N[5a])(C[6a]C[6a]2)	118.6770	0.000	1	118.6770	0.000	1	118.6770	0.000	1	120.1080	4.096	2	120.9608	3.657	5	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,6]	N	3:2:2:	3:3:3:	3:3:	N[5a,6]-3:S[5a]-2:N-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[6a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(S[5a]N[5a])(NC[6a])	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]S[5a]N)(C[6]C[6]H)	N(C[5a]N[5a,6]S[5a])(C[6a]C[6a]2)	C[5a](N[5a,6]C[5a,6]C[6])(S[5a]N[5a])(NC[6a]){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]S[5a]N)(C[6]C[6]H){1|C<3>,2|H<1>}	N(C[5a]N[5a,6]S[5a])(C[6a]C[6a]2)	121.5390	0.000	1	121.5390	0.000	1	121.5390	0.000	1	120.1080	4.096	2	120.9608	3.657	5	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,6]	N	3:3:2:	3:3:2:	3:3:	N[5a,6]-3:N[5a]-3:N-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a]-3:N-3:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a]H)(NN)	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6])	N(C[5a]N[5a,6]N[5a])(NOO)	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a]H)(NN){1|C<3>,1|N<2>}	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6]){1|H<1>,2|N<2>}	N(C[5a]N[5a,6]N[5a])(NOO)	120.5890	0.000	1	120.3735	0.093	2	120.3735	0.093	2	120.3735	0.093	2	120.9608	3.657	5	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,6]	N	3:3:2:	3:3:2:	3:3:	N[5a,6]-3:N[5a]-3:N-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a]-3:N-3:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a]H)(NN)	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6])	N(C[5a]N[5a,6]N[5a])(NOO)	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a]H)(NN){1|C<3>,1|N<2>}	N[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]N)(N[6]C[6]){1|N<2>,2|H<1>}	N(C[5a]N[5a,6]N[5a])(NOO)	120.1580	0.000	1	120.3735	0.093	2	120.3735	0.093	2	120.3735	0.093	2	120.9608	3.657	5	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,6]	N	3:3:2:	3:3:3:	3:4:	N[5a,6]-3:N[5a]-3:N-2:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]C)(NC)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]C)	N(C[5a]N[5a,6]N[5a])(CC[6a]HH)	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]C)(NC){1|C<3>,1|O<1>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]C){1|O<1>,2|C<4>,3|H<1>}	N(C[5a]N[5a,6]N[5a])(CC[6a]HH)	123.8410	0.000	1	123.8410	0.000	1	123.8410	0.000	1	123.8410	0.000	1	120.9608	3.657	5	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,6a]	N	3:2:2:	3:3:2:	3:2:	N[5a,6a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N(C[5a]N[5a,6a]N[5a])(NO)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N(C[5a]N[5a,6a]N[5a])(NO)	120.2670	0.000	1	120.2670	0.000	1	120.2670	0.000	1	120.2670	0.000	1	120.0781	32.079	14	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,6a]	N	3:2:2:	3:3:2:	3:3:	N[5a,6a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N(C[5a]N[5a,6a]N[5a])(NOO)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	N(C[5a]N[5a,6a]N[5a])(NOO)	117.7560	0.000	1	116.4425	0.625	6	116.4425	0.625	6	116.4425	0.625	6	120.0781	32.079	14	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,6a]	N	3:2:2:	3:3:2:	3:3:	N[5a,6a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N(C[5a]N[5a,6a]N[5a])(NOO)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N(C[5a]N[5a,6a]N[5a])(NOO)	116.0565	0.161	2	116.4425	0.625	6	116.4425	0.625	6	116.4425	0.625	6	120.0781	32.079	14	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,6a]	N	3:2:2:	3:3:2:	3:3:	N[5a,6a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a])	N(C[5a]N[5a,6a]N[5a])(NOO)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(NN){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|N<2>}	N(C[5a]N[5a,6a]N[5a])(NOO)	116.2620	0.698	3	116.4425	0.625	6	116.4425	0.625	6	116.4425	0.625	6	120.0781	32.079	14	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,6a]	N	3:3:2:	3:3:3:	3:1:	N[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:O-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N(C[5a]N[5a,6a]C[5a])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO){1|H<1>,4|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>}	N(C[5a]N[5a,6a]C[5a])(O)	128.3015	0.091	2	128.3015	0.008	2	128.2330	0.018	3	128.2330	0.018	3	120.0781	32.079	14	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,6a]	N	3:3:2:	3:3:3:	3:1:	N[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:O-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N(C[5a]N[5a,6a]C[5a])(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NO){1|H<1>,1|N<2>,3|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>}	N(C[5a]N[5a,6a]C[5a])(O)	128.0960	0.000	1	128.0960	0.000	1	128.2330	0.018	3	128.2330	0.018	3	120.0781	32.079	14	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,6a]	N	3:3:2:	3:3:3:	3:3:	N[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N(C[5a]N[5a,6a]C[5a])(CC[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC){1|H<1>,4|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>}	N(C[5a]N[5a,6a]C[5a])(CC[5a]H)	115.7850	1.154	2	115.7850	1.332	2	116.0613	0.895	3	119.3680	44.333	4	120.0781	32.079	14	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,6a]	N	3:3:2:	3:3:3:	3:3:	N[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N(C[5a]N[5a,6a]C[5a])(CC[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC){1|H<1>,4|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>}	N(C[5a]N[5a,6a]C[5a])(CC[6a]H)	116.6140	0.000	1	116.6140	0.000	1	116.0613	0.895	3	119.3680	44.333	4	120.0781	32.079	14	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a,6a]	N	3:3:2:	3:3:3:	3:3:	N[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	N(C[5a]N[5a,6a]C[5a])(C[6]C[6]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6]){1|O<2>,4|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>}	N(C[5a]N[5a,6a]C[5a])(C[6]C[6]2)	129.2880	0.000	1	129.2880	0.000	1	129.2880	0.000	1	119.3680	44.333	4	120.0781	32.079	14	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:1:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N-2:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N(C[5a]N[5a]2)(NN)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N(C[5a]N[5a]2)(NN)	119.2430	0.198	2	119.3137	0.035	3	121.1337	7.051	7	121.1859	6.066	8	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:1:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N-2:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N(C[5a]N[5a]2)(NN)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	N(C[5a]N[5a]2)(NN)	119.4550	0.000	1	119.3137	0.035	3	121.1337	7.051	7	121.1859	6.066	8	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:1:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N-2:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N(C[5a]N[5a]2)(NC[6a])	122.4988	2.878	4	122.4988	8.282	4	121.1337	7.051	7	121.1859	6.066	8	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:1:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:O-1:	C[5a]-3:N-2:	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(O)	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(O)	N(C[5a]N[5a]2)(NC[5a])	121.5510	0.000	1	121.5510	0.000	1	121.5510	0.000	1	121.1859	6.066	8	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:1:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N(C[5a]N[5a]2)(CC[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	N(C[5a]N[5a]2)(CC[5a]H)	119.7470	0.000	1	119.7470	0.000	1	119.6795	0.009	2	130.6203	13.871	32	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:1:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N(C[5a]N[5a]2)(CC[6a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC){1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<2>}	N(C[5a]N[5a]2)(CC[6a]H)	119.6120	0.000	1	119.6120	0.000	1	119.6795	0.009	2	130.6203	13.871	32	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:1:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]2)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[5a]){1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<2>}	N(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]2)	119.4460	0.000	1	119.4460	0.000	1	119.4460	0.000	1	130.6203	13.871	32	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:1:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N(C[5a]N[5a]2)(NOO)	131.6022	0.260	4	131.2319	0.824	16	131.7601	1.002	29	130.6203	13.871	32	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:1:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	N(C[5a]N[5a]2)(NOO)	131.1145	1.068	11	131.2319	0.824	16	131.7601	1.002	29	130.6203	13.871	32	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:1:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	N(C[5a]N[5a]2)(NOO)	131.0420	0.000	1	131.2319	0.824	16	131.7601	1.002	29	130.6203	13.871	32	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:1:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N-3:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N(C[5a]N[5a]2)(NC[5]O)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N(C[5a]N[5a]2)(NC[5]O)	131.5290	0.636	2	131.5290	0.405	2	131.7601	1.002	29	130.6203	13.871	32	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:1:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N-3:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N(C[5a]N[5a]2)(NOO)	132.5705	0.592	11	132.5705	0.350	11	131.7601	1.002	29	130.6203	13.871	32	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:2:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N-2:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	N(C[5a]N[5a]2)(NC[5a])	119.2750	0.000	1	119.2750	0.000	1	119.2750	0.000	1	120.1120	1.401	2	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:2:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:N-2:	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OH)	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OH)	N(C[5a]N[5a]2)(NC[5a])	120.9490	0.000	1	120.9490	0.000	1	120.9490	0.000	1	120.1120	1.401	2	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:2:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:N-3:	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OC)	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OC)	N(C[5a]N[5a]2)(NOO)	116.9846	0.531	13	116.9846	0.282	13	116.9846	0.282	13	116.9846	0.282	13	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:3:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N-2:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	N(C[5a]N[5a]2)(NC[5a])	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:3:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N-3:	C[5a](N[5a]N[5a]C[5])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2)	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]C[5])(N[5a]N[5a])(NN){2|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2){2|N<2>}	N(C[5a]N[5a]2)(NOO)	117.8275	0.323	2	117.8275	0.104	2	117.8275	0.104	2	117.8275	0.104	2	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:4:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-2:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	N(C[5a]N[5a]2)(NO)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	N(C[5a]N[5a]2)(NO)	118.2020	0.000	1	118.2020	0.000	1	119.1347	0.653	3	119.1347	0.653	3	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:4:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-2:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	N(C[5a]N[5a]2)(NC[5a])	119.6010	0.035	2	119.6010	0.001	2	119.1347	0.653	3	119.1347	0.653	3	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:4:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHH)	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN){1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHH){1|N<2>}	N(C[5a]N[5a]2)(NOO)	116.0680	0.000	1	116.0680	0.000	1	116.3171	1.325	23	116.3171	1.325	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:4:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH)	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH){1|N<3>}	N(C[5a]N[5a]2)(NOO)	115.5450	0.000	1	115.5450	0.000	1	116.3171	1.325	23	116.3171	1.325	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:4:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3)	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3){1|N<3>}	N(C[5a]N[5a]2)(NOO)	114.9770	0.990	5	114.9770	0.979	5	116.3171	1.325	23	116.3171	1.325	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:4:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	N(C[5a]N[5a]2)(NOO)	117.0523	1.210	7	117.0523	1.463	7	116.3171	1.325	23	116.3171	1.325	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:4:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5]HH)	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5]HH)	N(C[5a]N[5a]2)(NOO)	117.0060	1.090	2	117.0060	1.189	2	116.3171	1.325	23	116.3171	1.325	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:4:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	N(C[5a]N[5a]2)(NOO)	116.1765	0.398	2	116.1765	0.158	2	116.3171	1.325	23	116.3171	1.325	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:2:4:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-3:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	N(C[5a]N[5a]2)(NOO)	116.6130	0.255	5	116.6130	0.065	5	116.3171	1.325	23	116.3171	1.325	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:1:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-2:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H)	N(C[5a]N[5a]2)(NN)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN){2|C<2>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H){1|C<2>}	N(C[5a]N[5a]2)(NN)	118.0940	0.000	1	118.0940	0.000	1	125.0804	22.867	10	124.5972	19.989	12	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:1:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-2:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){3|C<3>}	N(C[5a]N[5a]2)(NC[6a])	126.1970	0.000	1	126.1970	0.000	1	125.0804	22.867	10	124.5972	19.989	12	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:1:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-2:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(NN){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|H<1>}	N(C[5a]N[5a]2)(NC[6a])	123.6037	7.825	3	123.6037	61.233	3	125.0804	22.867	10	124.5972	19.989	12	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:1:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-2:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NN){1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N(C[5a]N[5a]2)(NC[5a])	128.2640	0.000	1	128.2640	0.000	1	125.0804	22.867	10	124.5972	19.989	12	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:1:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-2:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N(C[5a]N[5a]2)(NC[6])	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NN){1|H<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	N(C[5a]N[5a]2)(NC[6])	126.8595	1.146	4	126.8595	1.313	4	125.0804	22.867	10	124.5972	19.989	12	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:1:	3:2:	N[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-2:	C[5a](N[5a]C[5a]H)(S[5a]C[5a])(NN)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(H)	N(C[5a]N[5a]S[5a])(NC[5,6])	C[5a](N[5a]C[5a]H)(S[5a]C[5a])(NN){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(H){1|C<3>}	N(C[5a]N[5a]S[5a])(NC[5,6])	122.1810	0.260	2	122.1810	0.068	2	122.1810	0.068	2	124.5972	19.989	12	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:1:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	N(C[5a]N[5a]2)(CC[5]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	N(C[5a]N[5a]2)(CC[5]O)	122.1760	0.000	1	122.1760	0.000	1	121.2682	29.048	9	121.0118	19.893	13	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:1:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	N(C[5a]N[5a]2)(CC[6a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	N(C[5a]N[5a]2)(CC[6a]H)	116.9620	1.005	3	116.9620	1.011	3	121.2682	29.048	9	121.0118	19.893	13	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:1:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	N(C[5a]N[5a]2)(CC[6a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	N(C[5a]N[5a]2)(CC[6a]O)	125.2640	0.000	1	125.2640	0.000	1	121.2682	29.048	9	121.0118	19.893	13	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:1:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	N(C[5a]N[5a]2)(CC[6a]S)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	N(C[5a]N[5a]2)(CC[6a]S)	129.0620	2.690	2	129.0620	7.235	2	121.2682	29.048	9	121.0118	19.893	13	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:1:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	N(C[5a]N[5a]2)(CNN)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	N(C[5a]N[5a]2)(CNN)	117.4820	0.742	2	117.4820	0.551	2	121.2682	29.048	9	121.0118	19.893	13	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:1:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-3:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)(H)	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NN){1|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)(H){1|N<2>,1|N<3>}	N(C[5a]N[5a]2)(NOO)	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	121.0118	19.893	13	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:1:	3:3:	N[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]H)(S[5a]C[5a])(NC[6a])	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]H)(S[5a]C[5a])(NC[6a]){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(H){1|C<3>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	121.4700	0.000	1	120.7823	1.481	3	120.7823	1.481	3	121.0118	19.893	13	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:1:	3:3:	N[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]H)(S[5a]C[5a])(NC[6a])	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]H)(S[5a]C[5a])(NC[6a]){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(H){1|C<4>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	120.4385	1.501	2	120.7823	1.481	3	120.7823	1.481	3	121.0118	19.893	13	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:2:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N-2:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	N(C[5a]N[5a]2)(NC[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(NN){1|N<3>,2|N<2>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|N<2>,2|N<3>}	N(C[5a]N[5a]2)(NC[5a])	118.3490	0.000	1	118.3490	0.000	1	118.3490	0.000	1	118.3490	0.000	1	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:2:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a])	N(C[5a]N[5a]2)(NOO)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(NN){2|N<2>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a]){1|N<2>,1|N<3>}	N(C[5a]N[5a]2)(NOO)	118.7640	0.418	3	118.7640	0.175	3	118.7640	0.175	3	120.1170	3.982	5	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:2:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N(C[5a]N[5a]2)(CHN)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC){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>}	N(C[5a]N[5a]2)(CHN)	123.1080	0.000	1	123.1080	0.000	1	123.1080	0.000	1	120.1170	3.982	5	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:2:	3:3:	N[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]N)(S[5a]C[5a])(NC[6a])	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(NC[5])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]N)(S[5a]C[5a])(NC[6a]){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(NC[5]){1|C<3>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	121.1850	0.000	1	121.1850	0.000	1	121.1850	0.000	1	120.1170	3.982	5	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:3:	3:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:H-1:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NH)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH)	N(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NH){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)(NHH){1|N<2>,1|N<3>}	N(C[5a]N[5a]2)(H)	124.2360	0.000	1	124.2360	0.000	1	124.2360	0.000	1	124.2360	0.000	1	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:3:	3:2:	N[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-2:	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NN)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	N(C[5a]N[5a]S[5a])(NC)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NN){1|O<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>}	N(C[5a]N[5a]S[5a])(NC)	121.8330	0.912	3	121.8330	0.831	3	121.8940	0.569	4	121.8940	0.569	4	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:3:	3:2:	N[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-2:	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NN)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	N(C[5a]N[5a]S[5a])(NC[6])	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NN){1|O<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>}	N(C[5a]N[5a]S[5a])(NC[6])	122.0770	0.000	1	122.0770	0.000	1	121.8940	0.569	4	121.8940	0.569	4	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:3:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(NC[6a])	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(C[6a]C[6a]2)	N(C[5a]N[5a]2)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(NC[6a]){1|O<1>,2|C<3>,2|C<4>}	N[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(C[6a]C[6a]2){2|C<3>,4|C<4>}	N(C[5a]N[5a]2)(C[6a]C[6a]2)	118.4880	0.000	1	118.4880	0.000	1	118.4880	0.000	1	121.1854	3.593	8	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:3:	3:3:	N[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	N(C[5a]N[5a]S[5a])(CC[6a]O)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC){1|O<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>}	N(C[5a]N[5a]S[5a])(CC[6a]O)	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	121.1854	3.593	8	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:3:	3:3:	N[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[5a])	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	N(C[5a]N[5a]S[5a])2	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[5a]){1|O<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>}	N(C[5a]N[5a]S[5a])2	119.7660	0.000	1	119.7660	0.000	1	119.7660	0.000	1	121.1854	3.593	8	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:3:	3:3:	N[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a])	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a]){1|O<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>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	121.9760	0.000	1	122.7523	0.993	4	122.7523	0.993	4	121.1854	3.593	8	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:3:	3:3:	N[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a])	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a]){1|O<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>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	123.0110	1.043	3	122.7523	0.993	4	122.7523	0.993	4	121.1854	3.593	8	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:3:	3:3:	N[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-3:	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NN)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(C[6a]C[6a]2)	N(C[5a]N[5a]S[5a])(NHS)	C[5a](N[5a]C[5a]C[6a])(S[5a]C[5a])(NN){1|O<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>}	N(C[5a]N[5a]S[5a])(NHS)	120.7210	0.000	1	120.7210	0.000	1	120.7210	0.000	1	121.1854	3.593	8	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:4:	3:1:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:H-1:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NH)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	N(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	N(C[5a]N[5a]2)(H)	122.7270	0.000	1	122.7270	0.000	1	122.7270	0.000	1	122.7270	0.000	1	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:4:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-2:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NN){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	N(C[5a]N[5a]2)(NC[6a])	117.8600	0.000	1	117.8600	0.000	1	117.9740	0.026	2	119.2640	4.672	4	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:4:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-2:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3)	N(C[5a]N[5a]2)(NC[6a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(NN){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3){1|H<1>}	N(C[5a]N[5a]2)(NC[6a])	118.0880	0.000	1	118.0880	0.000	1	117.9740	0.026	2	119.2640	4.672	4	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:4:	3:2:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:N-2:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(NN)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(SNOO)	N(C[5a]N[5a]2)(NN)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(NN){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(SNOO){1|C<3>}	N(C[5a]N[5a]2)(NN)	118.6390	0.000	1	118.6390	0.000	1	118.6390	0.000	1	119.2640	4.672	4	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:4:	3:2:	N[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-2:	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(NN)	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(CH3)	N(C[5a]N[5a]S[5a])(NC)	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(NN){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(CH3){1|C<3>}	N(C[5a]N[5a]S[5a])(NC)	122.4690	0.000	1	122.4690	0.000	1	122.4690	0.000	1	119.2640	4.672	4	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:4:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[4]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[4])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	N(C[4]N[4]S[4])(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[4]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	N(C[4]N[4]S[4])(C[5a]N[5a]2)	119.5460	0.156	2	119.5460	0.024	2	119.5460	0.024	2	118.6748	2.488	6	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:4:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	N(C[5]N[5]S[5])(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[5]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	N(C[5]N[5]S[5])(C[5a]N[5a]2)	117.8740	0.000	1	117.8740	0.000	1	117.8740	0.000	1	118.6748	2.488	6	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:4:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	N(C[5a]N[5a]2)(CNN)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	N(C[5a]N[5a]2)(CNN)	117.7050	0.000	1	117.7050	0.000	1	117.7050	0.000	1	118.6748	2.488	6	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:4:	3:3:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3)	N(C[5a]N[5a]2)(C[6]C[6]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NC[6]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	N(C[5a]N[5a]2)(C[6]C[6]2)	116.5310	0.000	1	116.5310	0.000	1	116.5310	0.000	1	118.6748	2.488	6	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:4:	3:3:	N[5a]-3:S[5a]-2:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(NC[6a])	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(CH3)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C)(S[5a]C[5a])(NC[6a]){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[5a]S[5a]N)(CH3){1|C<3>}	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)	120.8470	0.000	1	120.8470	0.000	1	120.8470	0.000	1	118.6748	2.488	6	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:4:	3:4:	N[5a]-3:N[5a]-2:N-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:P-4:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(NP)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)(CHHO)	N(C[5a]N[5a]2)(PC[6a]3)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(NP){1|C<3>,1|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)(CHHO){1|O<1>,2|C<4>}	N(C[5a]N[5a]2)(PC[6a]3)	119.9120	0.000	1	119.9120	0.000	1	119.9120	0.000	1	120.7755	1.491	2	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:3:4:	3:4:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(NC[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)	N(C[5a]N[5a]2)(C[6]C[6]2H)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(NC[6]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	N(C[5a]N[5a]2)(C[6]C[6]2H)	121.6390	0.000	1	121.6390	0.000	1	121.6390	0.000	1	120.7755	1.491	2	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:2:2:	3:4:3:	3:1:	N[5a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[3,3,4,4]HH)(C[5a]N[5a]N)	N(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NH){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[3,3,4,4]HH)(C[5a]N[5a]N){1|O<1>,2|N<3>}	N(C[5a]N[5a]2)(H)	123.4070	0.000	1	123.4070	0.000	1	123.4070	0.000	1	123.4070	0.000	1	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:2:1:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(NC[5])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(NC[5]){1|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){2|H<1>}	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	122.2200	6.942	2	122.2200	48.197	2	122.2200	48.197	2	131.4257	63.579	6	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:2:1:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N-3:	C[5a](C[5a]N[5a]N)(N[5a]N[5a]H)(NN)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(H)	N(C[5a]C[5a]N[5a])(NOO)	C[5a](C[5a]N[5a]N)(N[5a]N[5a]H)(NN)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(H){1|N<3>}	N(C[5a]C[5a]N[5a])(NOO)	132.8300	0.000	1	132.8300	0.000	1	132.8300	0.000	1	131.4257	63.579	6	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:2:1:	3:3:	N[5,5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N-3:	C[5a](N[5,5a]C[5,5a]N[5])(N[5a]N[5a]H)(NN)	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H)	N(C[5a]N[5,5a]N[5a])(NOO)	C[5a](N[5,5a]C[5,5a]N[5])(N[5a]N[5a]H)(NN){1|C<3>,1|N<3>}	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H){1|N<2>,1|N<3>}	N(C[5a]N[5,5a]N[5a])(NOO)	138.0760	0.000	1	138.0760	0.000	1	138.0760	0.000	1	131.4257	63.579	6	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:2:1:	3:3:	N[5a,6]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N-3:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a]H)(NN)	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6])(H)	N(C[5a]N[5a,6]N[5a])(NOO)	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a]H)(NN){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6])(H){2|N<2>}	N(C[5a]N[5a,6]N[5a])(NOO)	136.6040	0.618	2	136.6040	0.382	2	136.6040	0.382	2	131.4257	63.579	6	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:2:3:	3:2:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH)	N(C[5a]C[5a]N[5a])(NN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NN){1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH){2|N<3>}	N(C[5a]C[5a]N[5a])(NN)	117.7587	1.508	3	117.7587	2.274	3	117.7587	2.274	3	117.7587	2.274	3	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:2:3:	3:3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NC)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N(C[5a]C[5a,6a]N[5a])(CCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NC){1|H<1>,4|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>}	N(C[5a]C[5a,6a]N[5a])(CCC)	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:2:4:	3:2:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	N(C[5a]C[5a]N[5a])(NN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN){1|N<2>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|N<2>,1|N<3>}	N(C[5a]C[5a]N[5a])(NN)	116.3830	0.000	1	115.4365	1.792	2	115.4365	1.792	2	115.4365	1.792	2	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:2:4:	3:2:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-2:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	N(C[5a]C[5a]N[5a])(NN)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN){1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|N<3>}	N(C[5a]C[5a]N[5a])(NN)	114.4900	0.000	1	115.4365	1.792	2	115.4365	1.792	2	115.4365	1.792	2	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:2:4:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NC)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N(C[5a]C[5a]N[5a])(CCS)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NC){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	N(C[5a]C[5a]N[5a])(CCS)	116.1870	0.000	1	116.1870	0.000	1	118.3042	6.158	6	118.3042	6.158	6	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:2:4:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(NC)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N(C[5a]C[5a]N[5a])(CCS)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(NC){1|C<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|S<2>}	N(C[5a]C[5a]N[5a])(CCS)	114.3920	0.000	1	114.3920	0.000	1	118.3042	6.158	6	118.3042	6.158	6	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:2:4:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	N(C[5a]C[5a]N[5a])(CHN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	N(C[5a]C[5a]N[5a])(CHN)	119.2290	0.000	1	119.2290	0.000	1	118.3042	6.158	6	118.3042	6.158	6	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:2:4:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	N(C[5a]C[5a]N[5a])(CHO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N(C[5a]C[5a]N[5a])(CHO)	119.0190	0.000	1	119.0190	0.000	1	118.3042	6.158	6	118.3042	6.158	6	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:2:4:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	N(C[5a]C[5a]N[5a])(CNO)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N(C[5a]C[5a]N[5a])(CNO)	120.4990	0.051	2	120.4990	0.003	2	118.3042	6.158	6	118.3042	6.158	6	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:2:4:	3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NC)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N(C[5a]C[5a]N[5a])(CC3)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NC){1|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	N(C[5a]C[5a]N[5a])(CC3)	120.8600	0.000	1	120.8600	0.000	1	120.8600	0.000	1	120.8600	0.000	1	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NH)	N[5a](C[5a]C[5a,6a]N)2(H)	N(C[5a]C[5a,6a]N[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NH){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	N(C[5a]C[5a,6a]N[5a])(H)	124.3370	0.000	1	124.3370	0.000	1	124.3370	0.000	1	124.3370	0.000	1	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:O-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NO)	N[5a](C[5a]C[5a,6a]N)2(H)	N(C[5a]C[5a,6a]N[5a])(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NO){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	N(C[5a]C[5a,6a]N[5a])(OH)	126.3210	0.000	1	126.3210	0.000	1	126.3210	0.000	1	125.7385	0.922	29	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:2:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NN)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H)	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NN){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H){4|C<3>}	N(C[5a]C[5a]N[5a])(NC[6a])	123.6330	0.000	1	123.6330	0.000	1	125.7177	0.943	28	125.7385	0.922	29	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:2:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|H<1>}	N(C[5a]C[5a]N[5a])(NC[6a])	125.8105	0.656	20	125.8105	0.431	20	125.7177	0.943	28	125.7385	0.922	29	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:2:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(H)	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(H){2|H<1>}	N(C[5a]C[5a]N[5a])(NC[6a])	126.1810	0.733	3	126.1810	0.537	3	125.7177	0.943	28	125.7385	0.922	29	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:2:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN)	N[5a](C[5a]C[5a]N)2(H)	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NN){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N)2(H){2|H<1>}	N(C[5a]C[5a]N[5a])(NC[6a])	124.5423	0.804	3	124.5423	0.647	3	125.7177	0.943	28	125.7385	0.922	29	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:2:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-2:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(NN)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H)	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(NN){1|C<4>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(H){1|H<1>}	N(C[5a]C[5a]N[5a])(NC[6a])	128.0830	0.000	1	128.0830	0.000	1	125.7177	0.943	28	125.7385	0.922	29	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)(H)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)(H){2|C<3>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	129.3190	0.506	3	129.3190	0.256	3	128.5024	0.741	16	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	N[5a](C[5a]C[5a,6a]N)2(H)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	128.7668	1.050	5	128.3140	0.678	13	128.5024	0.741	16	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	N[5a](C[5a]C[5a,6a]N)2(H)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	127.9177	0.503	6	128.3140	0.678	13	128.5024	0.741	16	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5])	N[5a](C[5a]C[5a,6a]N)2(H)	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5]){1|N<2>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	N(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])	128.3710	0.701	2	128.3140	0.678	13	128.5024	0.741	16	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a])	N[5a](C[5a]C[5a,6a]N)2(H)	N(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	N(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])	129.2770	0.000	1	129.2770	0.000	1	128.9160	0.104	3	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a])	N[5a](C[5a]C[5a,6a]N)2(H)	N(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	N(C[5a]C[5a,6a]N[5a])(C[5a]N[5a]2)	128.7355	0.115	2	128.7355	0.013	2	128.9160	0.104	3	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	N[5a](C[5a]C[5a,6a]N)2(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	128.9670	0.000	1	128.9670	0.000	1	131.0714	2.036	26	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	N[5a](C[5a]C[5a,6a]N)2(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	130.9072	1.232	22	131.1556	1.929	25	131.0714	2.036	26	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	N[5a](C[5a]C[5a,6a]N)2(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	131.5730	0.000	1	131.1556	1.929	25	131.0714	2.036	26	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a])	N[5a](C[5a]C[5a,6a]N)2(H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC[6a]){1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	133.6795	0.356	2	131.1556	1.929	25	131.0714	2.036	26	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NN)	N[5a](C[5a]C[5a,6a]N)2(H)	N(C[5a]C[5a,6a]N[5a])(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NN){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	N(C[5a]C[5a,6a]N[5a])(NCH)	130.3120	0.311	2	130.3120	0.097	2	130.3120	0.097	2	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	N(C[5a]C[5a]N[5a])(CHO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|C<2>,1|H<1>,2|C<3>}	N(C[5a]C[5a]N[5a])(CHO)	119.2170	0.000	1	119.2170	0.000	1	119.2170	0.000	1	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NC[5])	N[5a](C[5a]C[5a]N)2(H)	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NC[5]){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]N)2(H){2|C<4>}	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	127.9760	0.096	2	127.9760	0.009	2	128.2690	0.118	4	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[5])	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[5]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|H<1>}	N(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])	128.5620	0.031	2	128.5620	0.001	2	128.2690	0.118	4	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5])	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]N)(H)	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]N)(H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	126.2100	0.000	1	126.2100	0.000	1	127.1628	5.456	12	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H)	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,3|C<3>}	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	124.6625	2.366	4	124.6625	5.598	4	127.1628	5.456	12	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[5])	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[5]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|H<1>}	N(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	128.7276	0.168	7	128.7276	0.028	7	127.1628	5.456	12	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H)	N(C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,3|C<3>}	N(C[5a]C[5a]N[5a])2	128.9920	0.552	2	128.9920	0.304	2	128.9920	0.304	2	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[6a])	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[6a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|H<1>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	121.7320	0.000	1	121.7320	0.000	1	121.7320	0.000	1	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[6a])	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H)	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(NC[6a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]N)(H){2|H<1>}	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	121.0530	0.000	1	121.0530	0.000	1	121.0530	0.000	1	128.9748	7.407	68	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC)	N[5a](C[5a]C[5a,6a]N)2(H)	N(C[5a]C[5a,6a]N[5a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	N(C[5a]C[5a,6a]N[5a])(CCHH)	129.1135	0.344	2	129.1135	0.119	2	129.1135	0.119	2	129.5127	0.537	3	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	N(C[5a]C[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NS){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,3|C<3>}	N(C[5a]C[5a]N[5a])(SC[6a]OO)	130.3110	0.000	1	130.3110	0.000	1	130.3110	0.000	1	129.5127	0.537	3	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:2:	3:2:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NN){1|C<4>,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>}	N(C[5a]C[5a]N[5a])(NC[5a])	118.1370	0.000	1	118.1370	0.000	1	117.1940	1.778	2	117.1940	1.778	2	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:2:	3:2:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(NN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N(C[5a]C[5a]N[5a])(NC[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(NN){1|C<4>,2|C<3>}	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>}	N(C[5a]C[5a]N[5a])(NC[5a])	116.2510	0.000	1	116.2510	0.000	1	117.1940	1.778	2	117.1940	1.778	2	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:2:	3:3:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N(C[5a]C[5a]N[5a])(CC[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(NC){1|C<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>}	N(C[5a]C[5a]N[5a])(CC[5a]H)	120.7730	0.000	1	120.7730	0.000	1	118.7692	2.307	23	118.7692	2.307	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:2:	3:3:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(NC){1|C<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>}	N(C[5a]C[5a]N[5a])(CC[6a]H)	117.5587	0.591	3	117.5587	0.350	3	118.7692	2.307	23	118.7692	2.307	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:2:	3:3:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC){1|C<4>,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>}	N(C[5a]C[5a]N[5a])(CC[6a]H)	119.6710	0.000	1	119.6710	0.000	1	118.7692	2.307	23	118.7692	2.307	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:2:	3:3:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N(C[5a]C[5a]N[5a])(CHN)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC){1|C<4>,2|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>}	N(C[5a]C[5a]N[5a])(CHN)	120.1150	0.000	1	120.1150	0.000	1	118.7692	2.307	23	118.7692	2.307	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:2:	3:3:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(NC){1|C<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>}	N(C[5a]C[5a]N[5a])(CC[6a]H)	116.9740	0.276	2	116.9740	0.076	2	118.7692	2.307	23	118.7692	2.307	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:2:	3:3:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N(C[5a]C[5a]N[5a])(CCH)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<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>}	N(C[5a]C[5a]N[5a])(CCH)	117.5600	0.000	1	117.5600	0.000	1	118.7692	2.307	23	118.7692	2.307	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:2:	3:3:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N(C[5a]C[5a]N[5a])(CC[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<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>}	N(C[5a]C[5a]N[5a])(CC[5a]H)	118.9840	0.000	1	119.4380	0.412	2	118.7692	2.307	23	118.7692	2.307	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:2:	3:3:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N(C[5a]C[5a]N[5a])(CC[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<4>,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>}	N(C[5a]C[5a]N[5a])(CC[5a]H)	119.8920	0.000	1	119.4380	0.412	2	118.7692	2.307	23	118.7692	2.307	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:2:	3:3:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<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>}	N(C[5a]C[5a]N[5a])(CC[6a]H)	118.4328	1.403	9	118.8163	2.430	11	118.7692	2.307	23	118.7692	2.307	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:2:	3:3:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<4>,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>}	N(C[5a]C[5a]N[5a])(CC[6a]H)	120.5420	1.123	2	118.8163	2.430	11	118.7692	2.307	23	118.7692	2.307	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:2:	3:3:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N(C[5a]C[5a]N[5a])(CHN)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<4>,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>}	N(C[5a]C[5a]N[5a])(CHN)	121.0930	0.000	1	121.0930	0.000	1	118.7692	2.307	23	118.7692	2.307	23	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:3:	3:3:	N[5a]-3:C[5a]-3:N-2:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]N)(NC[6a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]2)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]N)(NC[6a]){4|C<3>}	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>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	128.3330	8.676	2	128.3330	75.276	2	128.3330	75.276	2	128.3330	75.276	2	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:3:	3:4:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-4:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]O)(NC)	N[5a](C[5a]N[5a]Rh)(C[5a]C[5a]N)(C[6a]C[6a]2)	N(C[5a]C[5a]N[5a])(CCCH)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]O)(NC){1|Rh<6>,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>}	N(C[5a]C[5a]N[5a])(CCCH)	122.1660	0.000	1	122.1660	0.000	1	122.1660	0.000	1	122.1660	0.000	1	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:2:	C[5a,5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(CH3)	N(C[5a]C[5a,5a]N[5a])(CN)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C)(NC){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(CH3){4|C<3>}	N(C[5a]C[5a,5a]N[5a])(CN)	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	118.3843	0.712	3	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:2:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NN)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CH3)	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NN){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CH3){2|C<3>,2|H<1>}	N(C[5a]C[5a]N[5a])(NC[6a])	117.5450	0.000	1	117.5450	0.000	1	117.5450	0.000	1	118.3843	0.712	3	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:2:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:N-2:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(NN)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(SNOO)	N(C[5a]C[5a]N[5a])(NC[6a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(NN){1|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(SNOO){1|H<1>}	N(C[5a]C[5a]N[5a])(NC[6a])	119.2320	0.000	1	119.2320	0.000	1	119.2320	0.000	1	118.3843	0.712	3	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	N(C[5a]C[5a]N[5a])(CC[6a]2)	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|Br<1>,1|H<1>,2|C<3>}	N(C[5a]C[5a]N[5a])(CC[6a]2)	117.7215	0.357	2	117.7215	0.128	2	117.2620	0.697	3	120.5733	21.201	9	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	N(C[5a]C[5a]N[5a])(CCC)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<3>,2|C<3>}	N(C[5a]C[5a]N[5a])(CCC)	116.3430	0.000	1	116.3430	0.000	1	117.2620	0.697	3	120.5733	21.201	9	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NC[6a]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,2|C<3>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	131.7740	0.000	1	131.7740	0.000	1	131.7740	0.000	1	120.5733	21.201	9	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3)	N(C[5a]C[5a]N[5a])(CC[6a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3){1|C<2>,1|H<1>}	N(C[5a]C[5a]N[5a])(CC[6a]H)	119.3133	0.159	3	119.3133	0.025	3	119.6995	0.613	4	120.5733	21.201	9	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	N(C[5a]C[5a]N[5a])(CN[6]C)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(NC){1|H<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|N<3>}	N(C[5a]C[5a]N[5a])(CN[6]C)	120.8580	0.000	1	120.8580	0.000	1	119.6995	0.613	4	120.5733	21.201	9	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:3:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(NC[6a])	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(NC[6a]){1|C<4>,1|S<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]S)(CH3){1|C<4>,1|O<1>}	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	122.8020	0.000	1	122.8020	0.000	1	122.8020	0.000	1	120.5733	21.201	9	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:4:	C[5a]-3:N[5a]-3:N-2:	C[5,5a]-3:C[5a]-3:C[6]-4:	C[5a]-3:C[6]-4:	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6])(NC[6])	N[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]N)(C[6]C[6]2H)	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6])(NC[6]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	N[5a](C[5,5a]C[5,5a]N[5])(C[5a]C[5a]N)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)	118.3270	0.000	1	118.3270	0.000	1	118.3270	0.000	1	122.1622	37.205	12	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)(NC)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3)	N(C[5a]C[5a]N[5a])(CC3)	C[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)(NC){1|C<3>,1|N<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3){1|C<3>,1|H<1>,2|N<3>}	N(C[5a]C[5a]N[5a])(CC3)	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	122.1622	37.205	12	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH)	N(C[5a]C[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NS){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH){1|H<1>,3|C<3>}	N(C[5a]C[5a]N[5a])(SC[6a]OO)	132.2940	0.000	1	132.2940	0.000	1	123.0462	50.890	6	122.1622	37.205	12	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	N(C[5a]C[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NS){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|N<2>,2|C<3>}	N(C[5a]C[5a]N[5a])(SC[6a]OO)	118.4525	0.638	4	121.1966	37.956	5	123.0462	50.890	6	122.1622	37.205	12	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	N(C[5a]C[5a]N[5a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(NS){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,2|C<3>}	N(C[5a]C[5a]N[5a])(SC[6a]OO)	132.1730	0.000	1	121.1966	37.956	5	123.0462	50.890	6	122.1622	37.205	12	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]O)(CCCH)	N(C[5a]C[5a]N[5a])(CCCH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(NC){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]O)(CCCH){2|C<3>}	N(C[5a]C[5a]N[5a])(CCCH)	119.0020	0.092	2	119.0020	0.008	2	119.0020	0.008	2	122.1622	37.205	12	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:4:	N[5a,6]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a,6]O)(C[5a]N[5a,6]N)(CC[6a]HH)	N(C[5a]N[5a,6]N[5a])(CC[6a]HH)	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]C)(NC){1|C<3>,1|O<1>,2|C<4>}	N[5a](C[5a]C[5a,6]O)(C[5a]N[5a,6]N)(CC[6a]HH){1|C<3>,1|N<3>}	N(C[5a]N[5a,6]N[5a])(CC[6a]HH)	132.1470	0.000	1	132.1470	0.000	1	132.1470	0.000	1	122.1622	37.205	12	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:4:	N[5a]-3:C[5a]-3:N-2:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a]C[6])(C[5a]O[5a]C)(NC[6])	N[5a](C[5a]C[5a]N)(C[5a]O[5a]O)(C[6]C[6]2H)	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[5a](N[5a]C[5a]C[6])(C[5a]O[5a]C)(NC[6]){1|H<1>,1|O<1>,2|C<4>}	N[5a](C[5a]C[5a]N)(C[5a]O[5a]O)(C[6]C[6]2H){1|C<3>,2|C<4>,4|H<1>}	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)	120.7260	0.000	1	120.7260	0.000	1	120.7260	0.000	1	122.1622	37.205	12	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	3:3:2:	4:3:3:	3:3:	N[5a]-3:C[5a]-3:N-2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:C-3:	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)(NC)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H)	N(C[5a]C[5a]N[5a])(CHN)	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)(NC){1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H){2|H<1>,3|C<4>}	N(C[5a]C[5a]N[5a])(CHN)	116.7865	0.626	2	116.7865	0.392	2	116.7865	0.392	2	116.7865	0.392	2	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	4:3:2:	3:3:4:	3:3:	B[5a,6,6]-4:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:	C[5a](B[5a,6,6]C[6,6]2N[5a])(N[5a]C[5a]C)(NC[6a])	N[5a](C[5a]B[5a,6,6]N)(C[5a]N[5a]N)(CCCH)	N(C[5a]B[5a,6,6]N[5a])(C[6a]C[6a]2)	C[5a](B[5a,6,6]C[6,6]2N[5a])(N[5a]C[5a]C)(NC[6a]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5a](C[5a]B[5a,6,6]N)(C[5a]N[5a]N)(CCCH){1|C<3>,2|C<4>}	N(C[5a]B[5a,6,6]N[5a])(C[6a]C[6a]2)	113.1120	0.000	1	113.1120	0.000	1	113.1120	0.000	1	113.9893	0.608	3	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	4:3:2:	3:3:4:	3:3:	B[5a]-4:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a])	N[5a](C[5a]B[5a]N)(C[5a]N[5a]N)(CCCH)	N(C[5a]B[5a]N[5a])(C[6a]C[6a]2)	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5a](C[5a]B[5a]N)(C[5a]N[5a]N)(CCCH){1|C<3>,2|C<4>}	N(C[5a]B[5a]N[5a])(C[6a]C[6a]2)	114.2540	0.000	1	114.4280	0.061	2	114.4280	0.061	2	113.9893	0.608	3	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	4:3:2:	3:3:4:	3:3:	B[5a]-4:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a])	N[5a](C[5a]B[5a]N)(C[5a]N[5a]N)(CCCH)	N(C[5a]B[5a]N[5a])(C[6a]C[6a]2)	C[5a](B[5a]N[5a]C[6]2)(N[5a]C[5a]C)(NC[6a]){1|H<1>,1|N<3>,5|C<4>}	N[5a](C[5a]B[5a]N)(C[5a]N[5a]N)(CCCH){1|C<3>,2|C<4>}	N(C[5a]B[5a]N[5a])(C[6a]C[6a]2)	114.6020	0.000	1	114.4280	0.061	2	114.4280	0.061	2	113.9893	0.608	3	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP2	C[5a]	N[5a]	N	4:3:2:	3:3:4:	3:4:	B[5a]-4:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:	C[5a](B[5a]C[6a]2N[5a])(N[5a]C[5a]C)(NC)	N[5a](C[5a]B[5a]N)(C[5a]N[5a]H)(CCCH)	N(C[5a]B[5a]N[5a])(CC3)	C[5a](B[5a]C[6a]2N[5a])(N[5a]C[5a]C)(NC){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]B[5a]N)(C[5a]N[5a]H)(CCCH){1|C<4>,2|C<3>}	N(C[5a]B[5a]N[5a])(CC3)	113.1250	0.000	1	113.1250	0.000	1	113.1250	0.000	1	113.1250	0.000	1	123.5554	34.507	320	123.4499	34.630	349
727	813	941	0:SP2_SP2_SP3	C[5a]	N[5a]	N	3:3:2:	3:3:1:	3:4:	C[5a,6a]-3:N[5a]-3:N-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC)	N[5a](C[5a]C[5a,6a]N)2(H)	N(C[5a]C[5a,6a]N[5a])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(NC){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)2(H){2|C<3>}	N(C[5a]C[5a,6a]N[5a])(CCHH)	129.4555	0.484	2	129.4555	0.235	2	129.4555	0.235	2	129.4555	0.235	2	126.8895	31.141	4	126.8895	31.141	4
727	813	941	0:SP2_SP2_SP3	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:4:	C[5a]-3:N[5a]-3:N-2:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C-4:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(NC)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3)	N(C[5a]C[5a]N[5a])(CC3)	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(NC){1|C<3>,1|N<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(CC3){1|C<3>,1|H<1>,2|N<3>}	N(C[5a]C[5a]N[5a])(CC3)	118.5420	0.000	1	118.5420	0.000	1	118.5420	0.000	1	124.3235	66.851	2	126.8895	31.141	4	126.8895	31.141	4
727	813	941	0:SP2_SP2_SP3	C[5a]	N[5a]	N	3:3:2:	3:3:4:	3:4:	N[5a]-3:C[5a]-3:N-2:	C[5a,5a]-3:C[5a]-3:C[6]-4:	C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a,5a]C[6])(C[5a]C[5a,5a]N)(NC[6])	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(C[6]C[6]2H)	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[5a](N[5a]C[5a,5a]C[6])(C[5a]C[5a,5a]N)(NC[6]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]N)(C[6]C[6]2H){1|C<3>,2|C<4>,3|N<3>,4|H<1>}	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)	130.1050	0.000	1	130.1050	0.000	1	130.1050	0.000	1	124.3235	66.851	2	126.8895	31.141	4	126.8895	31.141	4
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	I	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:I-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(I)	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]I)	I(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(I){1|C<4>,1|N<2>,2|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>}	I(C[5a]N[5a,6]C[5a])	130.9270	0.000	1	130.9270	0.000	1	130.9270	0.000	1	130.9270	0.000	1	126.0434	9.552	5	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	I	3:3:1:	3:4:3:	3:	C[5a,6]-3:N[5a,6]-3:I-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(I)	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I)	I(C[5a]C[5a,6]N[5a,6])	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(I){1|C<3>,1|N<3>,2|C<4>,2|F<1>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I){2|C<4>,3|C<3>}	I(C[5a]C[5a,6]N[5a,6])	124.8225	1.673	4	124.8225	2.799	4	124.8225	2.799	4	124.8225	2.799	4	126.0434	9.552	5	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	I	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(I)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]N[6a]H)	I(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(I){1|C<3>,1|H<1>,1|I<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]N[6a]H){1|C<3>,1|I<1>,2|H<1>}	I(C[5a]N[5a,6a]C[5a])	122.8370	0.000	1	122.8370	0.000	1	124.2342	5.432	5	124.2342	5.432	5	124.2342	5.432	5	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	I	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(I)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	I(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(I){1|H<1>,4|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>}	I(C[5a]N[5a,6a]C[5a])	122.3920	0.250	2	122.3920	0.063	2	124.2342	5.432	5	124.2342	5.432	5	124.2342	5.432	5	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	I	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]O)	I(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(I){1|C<4>,1|O<1>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	I(C[5a]N[5a,6a]C[5a])	126.7750	0.122	2	126.7750	0.015	2	124.2342	5.432	5	124.2342	5.432	5	124.2342	5.432	5	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(I)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(H)	I(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(I){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(H){1|H<1>}	I(C[5a]N[5a]2)	124.4910	0.000	1	124.4910	0.000	1	124.4910	0.000	1	124.4910	0.000	1	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:I-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CCHH)	I(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CCHH){1|O<1>,2|N<3>}	I(C[5a]N[5a]2)	123.8240	0.000	1	123.8240	0.000	1	123.6200	1.974	3	124.1316	0.929	8	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:I-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH)	I(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH){1|O<1>,2|N<3>}	I(C[5a]N[5a]2)	124.9120	0.000	1	123.5180	3.886	2	123.6200	1.974	3	124.1316	0.929	8	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:I-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH)	I(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(I){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH){1|H<1>,2|C<3>}	I(C[5a]N[5a]2)	122.1240	0.000	1	123.5180	3.886	2	123.6200	1.974	3	124.1316	0.929	8	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:I-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(I)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)(CC[6a]HH)	I(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(I){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)(CC[6a]HH){1|H<1>}	I(C[5a]N[5a]2)	123.8265	0.103	2	123.8265	0.011	2	124.4386	0.324	5	124.1316	0.929	8	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:I-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(I)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(CH3)	I(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(I){2|I<1>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(CH3){1|I<1>}	I(C[5a]N[5a]2)	124.8467	0.139	3	124.8467	0.019	3	124.4386	0.324	5	124.1316	0.929	8	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:2:4:	3:	C[5a,6a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a])(CC[6a]CH)	I(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(I){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	I(C[5a]C[5a,6a]N[5a])	125.9400	0.000	1	125.9400	0.000	1	125.9400	0.000	1	123.1142	2.475	20	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCFF)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I){2|C<3>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCFF){1|C<3>}	I(C[5a]C[5a]N[5a])	124.1630	0.000	1	124.1630	0.000	1	122.9655	2.146	19	123.1142	2.475	20	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I){2|C<3>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	I(C[5a]C[5a]N[5a])	121.8185	0.095	2	121.8185	0.009	2	122.9655	2.146	19	123.1142	2.475	20	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CHHS)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I){2|C<3>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CHHS){1|C<3>}	I(C[5a]C[5a]N[5a])	120.5990	0.000	1	120.5990	0.000	1	122.9655	2.146	19	123.1142	2.475	20	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|C<4>}	I(C[5a]C[5a]N[5a])	126.1680	0.000	1	126.1680	0.000	1	122.9655	2.146	19	123.1142	2.475	20	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	I(C[5a]C[5a]N[5a])	124.7400	0.000	1	124.7400	0.000	1	122.9655	2.146	19	123.1142	2.475	20	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I){2|C<3>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|C<3>}	I(C[5a]C[5a]N[5a])	123.1462	1.294	6	123.1462	1.674	6	122.9655	2.146	19	123.1142	2.475	20	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I){2|C<3>}	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	I(C[5a]C[5a]N[5a])	121.9700	0.733	4	121.9700	0.537	4	122.9655	2.146	19	123.1142	2.475	20	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]I)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]I)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|I<1>}	I(C[5a]C[5a]N[5a])	124.1080	0.000	1	124.1080	0.000	1	122.9655	2.146	19	123.1142	2.475	20	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|N<3>}	I(C[5a]C[5a]N[5a])	123.2810	0.000	1	123.2810	0.000	1	122.9655	2.146	19	123.1142	2.475	20	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3){1|N<3>}	I(C[5a]C[5a]N[5a])	122.8920	0.000	1	122.8920	0.000	1	122.9655	2.146	19	123.1142	2.475	20	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]I)(H)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(I){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]I)(H){1|C<3>,1|O<2>,2|C<4>}	I(C[5a]C[5a]N[5a])	121.6267	0.995	10	121.6267	0.990	10	121.8002	1.296	14	121.8002	1.296	14	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(H)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(I){1|H<1>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(H){1|H<1>}	I(C[5a]C[5a]N[5a])	121.6670	0.000	1	121.6670	0.000	1	121.8002	1.296	14	121.8002	1.296	14	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(H)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(I){1|I<1>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(H){1|H<1>}	I(C[5a]C[5a]N[5a])	120.6910	0.000	1	120.6910	0.000	1	121.8002	1.296	14	121.8002	1.296	14	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]I)(N[5a]C[5a]H)(I)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(H)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]I)(N[5a]C[5a]H)(I){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(H){1|I<1>,2|C<3>}	I(C[5a]C[5a]N[5a])	123.2890	1.399	2	123.2890	1.956	2	121.8002	1.296	14	121.8002	1.296	14	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	I(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I){4|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	I(C[5a]C[5a]N[5a])	121.1081	1.411	8	121.7685	2.563	15	121.7685	2.563	15	122.4031	3.372	27	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	I(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I){4|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|F<1>,3|C<3>}	I(C[5a]C[5a]N[5a])	122.5231	1.553	7	121.7685	2.563	15	121.7685	2.563	15	122.4031	3.372	27	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]I)(N[5a]C[5a])	I(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]I)(N[5a]C[5a]){1|C<3>,1|I<1>,1|S<2>,3|H<1>}	I(C[5a]C[5a]N[5a])	123.6880	0.000	1	123.6880	0.000	1	123.6880	0.000	1	122.4031	3.372	27	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	I(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I){3|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>}	I(C[5a]C[5a]N[5a])	121.6800	0.659	2	122.0850	0.709	3	123.1516	3.793	11	122.4031	3.372	27	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	I(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I){3|C<3>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	I(C[5a]C[5a]N[5a])	122.8950	0.000	1	122.0850	0.709	3	123.1516	3.793	11	122.4031	3.372	27	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	I(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	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>}	I(C[5a]C[5a]N[5a])	120.9970	0.000	1	123.7171	5.048	7	123.1516	3.793	11	122.4031	3.372	27	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	I(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,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>}	I(C[5a]C[5a]N[5a])	122.9180	0.520	2	123.7171	5.048	7	123.1516	3.793	11	122.4031	3.372	27	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	I(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,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>}	I(C[5a]C[5a]N[5a])	124.6880	0.000	1	123.7171	5.048	7	123.1516	3.793	11	122.4031	3.372	27	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	I(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,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>}	I(C[5a]C[5a]N[5a])	122.7790	0.000	1	123.7171	5.048	7	123.1516	3.793	11	122.4031	3.372	27	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	I(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,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>}	I(C[5a]C[5a]N[5a])	125.8600	3.215	2	123.7171	5.048	7	123.1516	3.793	11	122.4031	3.372	27	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	I(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(I){1|C<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>}	I(C[5a]C[5a]N[5a])	122.3930	0.000	1	122.3930	0.000	1	123.1516	3.793	11	122.4031	3.372	27	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	I(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(I){4|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>}	I(C[5a]C[5a]N[5a])	122.4490	0.000	1	122.4490	0.000	1	122.4490	0.000	1	122.4283	1.844	3	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	I(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(I){4|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>}	I(C[5a]C[5a]N[5a])	123.7760	0.000	1	122.4180	3.688	2	122.4180	3.688	2	122.4283	1.844	3	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:I-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	I(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(I){4|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>}	I(C[5a]C[5a]N[5a])	121.0600	0.000	1	122.4180	3.688	2	122.4180	3.688	2	122.4283	1.844	3	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:4:	3:	C[5,5a]-3:N[5a]-3:I-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(I)	N[5a](C[5a]C[5,5a]I)2(CH3)	I(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(I){1|C<3>,1|I<1>,1|S<2>}	N[5a](C[5a]C[5,5a]I)2(CH3){2|S<2>}	I(C[5a]C[5,5a]N[5a])	124.1475	0.136	2	124.1475	0.019	2	124.1475	0.019	2	124.4372	3.434	14	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]S)(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(SC[6a]OO)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]S)(I){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(SC[6a]OO){1|H<1>,1|I<1>,2|C<3>}	I(C[5a]C[5a]N[5a])	125.9280	0.000	1	125.9280	0.000	1	125.9280	0.000	1	124.4372	3.434	14	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(I)	N[5a](C[5a]C[5a]I)2(CH3)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]S)(N[5a]C[5a]C)(I){1|I<1>,1|S<2>}	N[5a](C[5a]C[5a]I)2(CH3){2|S<2>}	I(C[5a]C[5a]N[5a])	122.5660	0.591	4	122.5660	0.350	4	122.9251	0.420	7	124.4372	3.434	14	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(I)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(CH3)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(I){1|I<1>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]I)(CH3){1|I<1>}	I(C[5a]C[5a]N[5a])	123.4040	0.365	3	123.4040	0.133	3	122.9251	0.420	7	124.4372	3.434	14	122.9807	3.241	87	123.2032	4.048	97
727	813	944	0:SP2_SP-NON_SP2	C[5a]	N[5a]	I	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(I)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]S)(SNOO)	I(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(I){1|S<2>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]S)(SNOO){1|H<1>}	I(C[5a]C[5a]N[5a])	126.8555	0.327	4	126.8555	0.107	4	126.8555	0.107	4	124.4372	3.434	14	122.9807	3.241	87	123.2032	4.048	97
727	813	945	0:SP2_SP2_SP3	C[5a]	N[5a]	P	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[5a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CCH)	P(C[5a]N[5a]2)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[5a]2){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CCH){1|H<1>}	P(C[5a]N[5a]2)3	124.6537	4.941	3	124.6537	24.418	3	124.6537	24.418	3	123.6283	8.797	9	123.7540	15.879	30	123.7540	15.879	30
727	813	945	0:SP2_SP2_SP3	C[5a]	N[5a]	P	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	P(C[5a]N[5a]2)(C[6a]C[6a]2)2	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[6a]2){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	P(C[5a]N[5a]2)(C[6a]C[6a]2)2	123.3058	1.983	5	123.3058	3.932	5	123.3058	3.932	5	123.6283	8.797	9	123.7540	15.879	30	123.7540	15.879	30
727	813	945	0:SP2_SP2_SP3	C[5a]	N[5a]	P	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[5a]-3:P-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC[6a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PCC)	P(C[5a]N[5a]2)(C[6a]C[6a]2)2	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PC[6a]2){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PCC){1|H<1>}	P(C[5a]N[5a]2)(C[6a]C[6a]2)2	122.1650	0.000	1	122.1650	0.000	1	122.1650	0.000	1	123.6283	8.797	9	123.7540	15.879	30	123.7540	15.879	30
727	813	945	0:SP2_SP2_SP3	C[5a]	N[5a]	P	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[5a]C)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	P(C[5a]N[5a]2)2(CC3)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PC[5a]C){2|C<3>,2|H<1>}	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>}	P(C[5a]N[5a]2)2(CC3)	130.1610	0.000	1	130.1610	0.000	1	130.1610	0.000	1	130.1610	0.000	1	123.7540	15.879	30	123.7540	15.879	30
727	813	945	0:SP2_SP2_SP3	C[5a]	N[5a]	P	3:2:3:	3:3:3:	3:4:4:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-4:C-4:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	P(C[5a]N[5a]2)(CC3)2	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(PCC){2|C<3>,2|H<1>}	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>}	P(C[5a]N[5a]2)(CC3)2	121.2210	0.000	1	121.2210	0.000	1	121.2210	0.000	1	121.1920	0.002	2	123.7540	15.879	30	123.7540	15.879	30
727	813	945	0:SP2_SP2_SP3	C[5a]	N[5a]	P	3:2:3:	3:3:3:	3:4:4:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[5a]-3:P-3:	C[5a]-3:C-4:C-4:	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PCC)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]2)	P(C[5a]N[5a]2)(CC3)2	C[5a](N[5a]C[5a]P)(N[5a]C[5a])(PCC){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]2){1|H<1>}	P(C[5a]N[5a]2)(CC3)2	121.1630	0.000	1	121.1630	0.000	1	121.1630	0.000	1	121.1920	0.002	2	123.7540	15.879	30	123.7540	15.879	30
727	813	945	0:SP2_SP2_SP3	C[5a]	N[5a]	P	3:2:3:	3:3:4:	3:3:3:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC[5]CH)	P(C[5a]N[5a]2)(C[6a]C[6a]2)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC[5]CH){1|H<1>}	P(C[5a]N[5a]2)(C[6a]C[6a]2)2	122.6850	0.000	1	122.6850	0.000	1	121.8040	1.055	3	121.8040	1.055	3	123.7540	15.879	30	123.7540	15.879	30
727	813	945	0:SP2_SP2_SP3	C[5a]	N[5a]	P	3:2:3:	3:3:4:	3:3:3:	N[5a]-3:N[5a]-2:P-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	P(C[5a]N[5a]2)(C[6a]C[6a]2)2	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(PC[6a]2){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	P(C[5a]N[5a]2)(C[6a]C[6a]2)2	121.3635	0.972	2	121.3635	0.945	2	121.8040	1.055	3	121.8040	1.055	3	123.7540	15.879	30	123.7540	15.879	30
727	813	945	0:SP2_SP2_SP3	C[5a]	N[5a]	P	3:3:3:	3:2:4:	3:3:3:	C[5a]-3:N[5a]-3:P-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2){1|H<1>}	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	122.2485	0.764	2	122.2485	0.584	2	120.5840	8.604	3	120.5840	8.604	3	123.7540	15.879	30	123.7540	15.879	30
727	813	945	0:SP2_SP2_SP3	C[5a]	N[5a]	P	3:3:3:	3:2:4:	3:3:3:	C[5a]-3:N[5a]-3:P-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(PC[6a]2)	N[5a](C[5a]C[5a]P)(N[5a]N[5a])(CC[5]CH)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(PC[6a]2){2|C<3>}	N[5a](C[5a]C[5a]P)(N[5a]N[5a])(CC[5]CH){1|C<3>}	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	117.2550	0.000	1	117.2550	0.000	1	120.5840	8.604	3	120.5840	8.604	3	123.7540	15.879	30	123.7540	15.879	30
727	813	945	0:SP2_SP2_SP3	C[5a]	N[5a]	P	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:P-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H)	P(C[5a]C[5a]N[5a])3	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[5a]2){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	P(C[5a]C[5a]N[5a])3	126.7340	0.432	6	126.7340	0.187	6	126.7340	0.187	6	126.7340	0.187	6	123.7540	15.879	30	123.7540	15.879	30
727	813	945	0:SP2_SP2_SP3	C[5a]	N[5a]	P	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:P-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2){4|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>}	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	116.4200	0.000	1	121.8285	53.020	4	121.8285	53.020	4	121.8285	53.020	4	123.7540	15.879	30	123.7540	15.879	30
727	813	945	0:SP2_SP2_SP3	C[5a]	N[5a]	P	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:P-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2){4|C<3>}	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	123.6313	7.748	3	121.8285	53.020	4	121.8285	53.020	4	121.8285	53.020	4	123.7540	15.879	30	123.7540	15.879	30
727	813	945	0:SP2_SP2_SP3	C[5a]	N[5a]	P	3:3:3:	3:3:3:	3:4:1:	N[5a]-3:C[5a]-3:P-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-4:O-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(PCO)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(C[6a]C[6a]2)	P(C[5a]C[5a]N[5a])(CC3)(O)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(PCO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(C[6a]C[6a]2){2|C<3>,4|H<1>}	P(C[5a]C[5a]N[5a])(CC3)(O)	130.4020	0.000	1	130.4020	0.000	1	130.4020	0.000	1	130.4020	0.000	1	123.7540	15.879	30	123.7540	15.879	30
727	813	945	0:SP2_SP2_SP3	C[5a]	N[5a]	P	3:3:3:	4:3:2:	3:3:3:	N[5a]-3:C[5a]-3:P-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]H)(PC[6a]2)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]P)(N[5a]N[5a])	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]H)(PC[6a]2){1|Fe<10>,2|C<4>}	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]P)(N[5a]N[5a]){2|H<1>,3|C<4>}	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	122.1350	0.000	1	122.1350	0.000	1	122.1350	0.000	1	122.1350	0.000	1	123.7540	15.879	30	123.7540	15.879	30
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:2:1:	3:4:3:	3:	N[5,5a]-3:N[5a]-2:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H)	H(C[5a]N[5,5a]N[5a])	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H){1|H<1>,2|C<3>}	H(C[5a]N[5,5a]N[5a])	124.6820	0.398	3	124.6820	0.158	3	124.6028	0.050	10	124.6028	0.050	10	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:2:1:	3:4:3:	3:	N[5,5a]-3:N[5a]-2:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H)	H(C[5a]N[5,5a]N[5a])	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[4]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5a]N[5,5a]N[5a])	124.5020	0.000	1	124.5020	0.000	1	124.6028	0.050	10	124.6028	0.050	10	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:2:1:	3:4:3:	3:	N[5,5a]-3:N[5a]-2:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H)	H(C[5a]N[5,5a]N[5a])	C[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5a]N[5,5a]N[5a])	124.5800	0.142	6	124.5800	0.020	6	124.6028	0.050	10	124.6028	0.050	10	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:B[5]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]B[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]B[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[5a]N[5,5a]C[5a])	126.0860	0.000	1	125.9955	0.016	2	125.9955	0.016	2	125.8034	5.254	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:B[5]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]B[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]B[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5,5a](C[5,5a]C[5a]C[5])(B[5]C[6a]N[5])(C[5a]C[5a]H){3|H<1>,4|C<3>}	H(C[5a]N[5,5a]C[5a])	125.9050	0.000	1	125.9955	0.016	2	125.9955	0.016	2	125.8034	5.254	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){1|C<4>,3|C<3>}	H(C[5a]N[5,5a]C[5a])	125.8860	0.000	1	125.8860	0.000	1	126.9805	0.739	4	125.8034	5.254	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[5a]N[5,5a]C[5a])	126.7050	0.000	1	126.7050	0.000	1	126.9805	0.739	4	125.8034	5.254	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]H)(H)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]H)(H){1|O<1>,2|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){1|H<1>,2|C<3>}	H(C[5a]N[5,5a]C[5a])	127.6655	0.057	2	127.6655	0.003	2	126.9805	0.739	4	125.8034	5.254	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|N<2>,1|O<1>,2|H<1>}	H(C[5a]N[5,5a]C[5a])	126.4760	0.000	1	122.6500	12.359	3	123.5964	9.720	5	125.8034	5.254	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){4|H<1>}	H(C[5a]N[5,5a]C[5a])	119.5620	0.000	1	122.6500	12.359	3	123.5964	9.720	5	125.8034	5.254	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){6|H<1>}	H(C[5a]N[5,5a]C[5a])	121.9120	0.000	1	122.6500	12.359	3	123.5964	9.720	5	125.8034	5.254	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O){1|C<3>,1|N<3>,3|H<1>}	H(C[5a]N[5,5a]C[5a])	126.9450	0.000	1	126.9450	0.000	1	123.5964	9.720	5	125.8034	5.254	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C[6])(H)	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]H)(C[5]C[5]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C[6])(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|H<1>}	H(C[5a]N[5,5a]C[5a])	123.0870	0.000	1	123.0870	0.000	1	123.5964	9.720	5	125.8034	5.254	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|C<3>,5|H<1>}	H(C[5a]N[5,5a]C[5a])	126.9430	0.000	1	126.8270	0.010	3	126.9920	0.167	5	125.8034	5.254	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[5a]N[5,5a]C[5a])	126.7690	0.000	2	126.8270	0.010	3	126.9920	0.167	5	125.8034	5.254	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]S)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]S)(H){1|C<4>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|S<4>,3|C<3>,3|H<1>}	H(C[5a]N[5,5a]C[5a])	126.7690	0.000	1	126.7690	0.000	1	126.9920	0.167	5	125.8034	5.254	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]H)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]P[5])(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]H)(H){1|P<4>,2|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]P[5])(C[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[5a]N[5,5a]C[5a])	127.7100	0.000	1	127.7100	0.000	1	126.9920	0.167	5	125.8034	5.254	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:4:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[5a]N[5,5a]C[5a])	126.1780	0.000	1	126.1355	0.004	2	126.3749	0.045	16	126.3749	0.045	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:4:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[5a]N[5,5a]C[5a])	126.0930	0.000	1	126.1355	0.004	2	126.3749	0.045	16	126.3749	0.045	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:4:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,3|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,2|C<4>,2|H<1>}	H(C[5a]N[5,5a]C[5a])	126.2990	0.068	7	126.3793	0.044	11	126.3749	0.045	16	126.3749	0.045	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:4:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,3|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|O<1>,4|H<1>}	H(C[5a]N[5,5a]C[5a])	126.3605	0.094	2	126.3793	0.044	11	126.3749	0.045	16	126.3749	0.045	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:4:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<3>,3|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>}	H(C[5a]N[5,5a]C[5a])	126.3800	0.000	1	126.3793	0.044	11	126.3749	0.045	16	126.3749	0.045	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:4:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[5a]N[5,5a]C[5a])	126.9780	0.000	1	126.3793	0.044	11	126.3749	0.045	16	126.3749	0.045	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:4:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]CH)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]CH){1|O<1>,2|H<1>}	H(C[5a]N[5,5a]C[5a])	126.6580	0.000	1	126.6580	0.000	1	126.3749	0.045	16	126.3749	0.045	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:3:4:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(H){2|C<3>,3|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]HH){1|S<3>,3|H<1>}	H(C[5a]N[5,5a]C[5a])	126.4485	0.175	2	126.4485	0.031	2	126.3749	0.045	16	126.3749	0.045	16	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:4:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,3|H<1>}	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[5a]N[5,5a]C[5a])	126.4385	0.163	4	125.4318	6.589	6	125.6169	5.730	7	125.6169	5.730	7	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:4:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[5a]N[5,5a]C[5a])	120.2010	0.000	1	125.4318	6.589	6	125.6169	5.730	7	125.6169	5.730	7	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:4:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	N[5,5a](C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)(C[5a]C[5a]H){1|C<4>,1|N<3>,4|H<1>}	H(C[5a]N[5,5a]C[5a])	126.6360	0.000	1	125.4318	6.589	6	125.6169	5.730	7	125.6169	5.730	7	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	3:4:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	N[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(C[5a]C[5a]H){2|C<3>,4|H<1>}	H(C[5a]N[5,5a]C[5a])	126.7270	0.000	1	126.7270	0.000	1	125.6169	5.730	7	125.6169	5.730	7	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	4:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,5]-4:C[5,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,5])(C[5a]C[5a]H)(H)	N[5,5a](C[5,5]C[5,5]N[5]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5,5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5,5a](C[5,5]C[5,5]N[5]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5a]N[5,5a]C[5a])	126.0560	0.140	3	126.0560	0.019	3	126.0560	0.019	3	126.3010	0.076	7	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	4:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H)(H)	N[5,5a](C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|O<1>,2|C<4>,5|H<1>}	H(C[5a]N[5,5a]C[5a])	126.2490	0.000	1	126.2490	0.000	1	126.4847	0.035	4	126.3010	0.076	7	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	4:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H)(H)	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[5a]H)(H){1|O<2>,2|C<3>,2|H<1>}	N[5,5a](C[5,6]C[5,6]O[6]H)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[5a]N[5,5a]C[5a])	126.5633	0.122	3	126.5633	0.015	3	126.4847	0.035	4	126.3010	0.076	7	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	5:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	Si[4,5,5]-5:C[5,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]Si[4,5,5]C[5,5a])(C[5a]C[5a]H)(H)	N[5,5a](Si[4,5,5]N[5,5]C[4]2O[5])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]Si[4,5,5]C[5,5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[5,5a](Si[4,5,5]N[5,5]C[4]2O[5])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,2|C<3>,7|H<1>}	H(C[5a]N[5,5a]C[5a])	124.8643	0.285	3	124.8643	0.081	3	124.8643	0.081	3	124.8824	0.042	5	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	5:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	Si[5,5]-5:C[5,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]Si[5,5])(C[5a]C[5a]H)(H)	N[5,5a](Si[5,5]N[5,5]C[6a]O[5]C)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]Si[5,5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5,5a](Si[5,5]N[5,5]C[6a]O[5]C)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|H<1>,4|C<3>}	H(C[5a]N[5,5a]C[5a])	124.9095	0.049	2	124.9095	0.002	2	124.9095	0.002	2	124.8824	0.042	5	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5,5a]	H	3:3:1:	6:3:3:	3:	N[5,5a]-3:C[5a]-3:H-1:	Si[3x5]-6:C[5,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5,5a]C[5,5a]Si[3x5])(C[5a]C[5a]H)(H)	N[5,5a](Si[3x5]N[5,5a]N[5,5]2C[6a]2)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	H(C[5a]N[5,5a]C[5a])	C[5a](N[5,5a]C[5,5a]Si[3x5])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>,3|N<3>}	N[5,5a](Si[3x5]N[5,5a]N[5,5]2C[6a]2)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|H<1>,9|C<3>}	H(C[5a]N[5,5a]C[5a])	124.9630	0.172	8	124.9630	0.030	8	124.9630	0.030	8	124.9630	0.030	8	125.6293	2.126	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:2:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	H(C[5a]N[5a,5a]C[5a])	126.9980	0.000	1	126.9980	0.000	1	127.3184	2.210	14	127.0858	1.771	19	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:2:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|S<2>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	H(C[5a]N[5a,5a]C[5a])	127.7254	0.194	8	127.3430	2.385	13	127.3184	2.210	14	127.0858	1.771	19	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:2:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|S<2>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	H(C[5a]N[5a,5a]C[5a])	127.8560	0.047	4	127.3430	2.385	13	127.3184	2.210	14	127.0858	1.771	19	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:2:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|S<2>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|S<4>}	H(C[5a]N[5a,5a]C[5a])	122.2320	0.000	1	127.3430	2.385	13	127.3184	2.210	14	127.0858	1.771	19	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:2:	3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]N[5a,5a]C[5a])	126.5470	0.000	1	126.4346	0.069	5	126.4346	0.069	5	127.0858	1.771	19	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:2:	3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	H(C[5a]N[5a,5a]C[5a])	126.6500	0.000	1	126.4346	0.069	5	126.4346	0.069	5	127.0858	1.771	19	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:2:	3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	H(C[5a]N[5a,5a]C[5a])	126.3253	0.301	3	126.4346	0.069	5	126.4346	0.069	5	127.0858	1.771	19	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]2)(C[5a]N[5a]H)(H)	N[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,5a]B[5a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]2)(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>}	N[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,5a]B[5a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>,4|C<4>}	H(C[5a]N[5a,5a]C[5a])	127.1000	0.000	1	127.1000	0.000	1	127.1000	0.000	1	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|C<4>}	H(C[5a]N[5a,5a]C[5a])	126.5940	0.000	1	127.3080	0.267	7	124.5657	12.668	18	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	H(C[5a]N[5a,5a]C[5a])	127.2675	0.101	4	127.3080	0.267	7	124.5657	12.668	18	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|C<4>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){2|C<3>}	H(C[5a]N[5a,5a]C[5a])	127.7460	0.820	2	127.3080	0.267	7	124.5657	12.668	18	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)2	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)2{1|C<4>,1|H<1>}	H(C[5a]N[5a,5a]C[5a])	127.2650	0.000	1	127.2650	0.000	1	124.5657	12.668	18	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(H)	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]N[5a,5a]C[5a])	127.1850	0.000	1	127.1850	0.000	1	124.5657	12.668	18	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H){1|N<2>,2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	H(C[5a]N[5a,5a]C[5a])	117.7640	1.412	3	117.7640	1.995	3	124.5657	12.668	18	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H){1|N<2>,2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	H(C[5a]N[5a,5a]C[5a])	123.8600	0.581	5	123.8600	0.338	5	124.5657	12.668	18	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)2	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)2{1|C<4>,1|H<1>}	H(C[5a]N[5a,5a]C[5a])	123.9850	0.000	1	123.9850	0.000	1	124.5657	12.668	18	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)(H){1|C<2>,1|N<3>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	H(C[5a]N[5a,5a]C[5a])	125.9990	0.000	1	125.9990	0.000	1	125.8888	2.530	10	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(H){1|S<2>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	H(C[5a]N[5a,5a]C[5a])	127.2173	0.227	3	127.2173	0.052	3	125.8888	2.530	10	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]S[5a])(H){2|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	H(C[5a]N[5a,5a]C[5a])	124.1350	0.171	2	124.1350	0.029	2	125.8888	2.530	10	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[5a]N[5a,5a]C[5a])	127.0550	0.000	1	127.3900	0.224	2	125.8888	2.530	10	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(H){1|N<3>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[5a]N[5a,5a]C[5a])	127.7250	0.000	1	127.3900	0.224	2	125.8888	2.530	10	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]C)(H){1|N<2>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	H(C[5a]N[5a,5a]C[5a])	124.0935	0.049	2	124.0935	0.002	2	125.8888	2.530	10	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N){4|H<1>}	H(C[5a]N[5a,5a]C[5a])	126.2780	0.000	1	124.5497	6.707	3	126.1245	2.707	11	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){2|C<3>,2|N<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(C[5a]C[5a]N){2|H<1>,2|N<3>}	H(C[5a]N[5a,5a]C[5a])	123.6855	2.989	2	124.5497	6.707	3	126.1245	2.707	11	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2{1|N<3>,3|H<1>}	H(C[5a]N[5a,5a]C[5a])	125.6130	0.000	1	125.9800	0.269	2	126.1245	2.707	11	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)2{1|N<3>,3|H<1>}	H(C[5a]N[5a,5a]C[5a])	126.3470	0.000	1	125.9800	0.269	2	126.1245	2.707	11	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){2|C<3>,2|N<2>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[5a]N[5a,5a]C[5a])	125.9340	0.000	1	125.9340	0.000	1	126.1245	2.707	11	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)2	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)2{1|C<3>,2|H<1>}	H(C[5a]N[5a,5a]C[5a])	126.6090	0.000	1	126.6090	0.000	1	126.1245	2.707	11	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]N)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]N){1|C<3>,2|H<1>}	H(C[5a]N[5a,5a]C[5a])	127.2890	0.174	3	127.2890	0.030	3	126.1245	2.707	11	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H)	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)2	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)2{1|C<3>,2|H<1>}	H(C[5a]N[5a,5a]C[5a])	127.3500	0.000	1	127.3500	0.000	1	126.1245	2.707	11	125.3885	7.404	40	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:4:3:	3:	C[5a,6a]-3:N[5a,5a]-3:H-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,5a]C[5a,5a]B[5a])(H)	N[5a,5a](C[5a,5a]C[5a,6a]C[5a])(B[5a]C[6a]2N[5a])(C[5a]C[5a,6a]H)	H(C[5a]C[5a,6a]N[5a,5a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,5a]C[5a,5a]B[5a])(H){1|N<3>,6|C<3>}	N[5a,5a](C[5a,5a]C[5a,6a]C[5a])(B[5a]C[6a]2N[5a])(C[5a]C[5a,6a]H){1|H<1>,7|C<3>}	H(C[5a]C[5a,6a]N[5a,5a])	125.4450	0.000	1	125.4450	0.000	1	125.4450	0.000	1	125.8440	0.141	3	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:4:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]H)(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(B[5a]C[5a]N[5]2)(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|S<2>,2|N<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(B[5a]C[5a]N[5]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[5a]N[5a,5a]C[5a])	125.8960	0.000	1	126.0435	0.044	2	126.0435	0.044	2	125.8440	0.141	3	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	3:4:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	C[5a,5a]-3:B[5a]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]H)(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(B[5a]C[5a]N[5]2)(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|S<2>,2|N<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(B[5a]C[5a]N[5]2)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5a]N[5a,5a]C[5a])	126.1910	0.000	1	126.0435	0.044	2	126.0435	0.044	2	125.8440	0.141	3	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,5a]	H	3:3:1:	4:3:3:	3:	N[5a,5a]-3:C[5a]-3:H-1:	B[5a]-4:C[5a,5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(H)	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]H)	H(C[5a]N[5a,5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,5a](B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)(C[5a]C[5a]H){3|H<1>,5|C<3>}	H(C[5a]N[5a,5a]C[5a])	125.3546	0.118	7	125.3546	0.014	7	125.3546	0.014	7	125.3546	0.014	7	125.8722	5.297	69	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6,6]	H	3:3:1:	3:3:3:	3:	N[5a,6,6]-3:C[5a]-3:H-1:	C[5a,6,6]-3:P[3x6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6,6]C[5a,6,6]P[3x6])(C[5a]C[5a]H)(H)	N[5a,6,6](C[5a,6,6]C[3x6]C[5a])(P[3x6]N[5a,6,6]2)(C[5a]C[5a]H)	H(C[5a]N[5a,6,6]C[5a])	C[5a](N[5a,6,6]C[5a,6,6]P[3x6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|N<3>}	N[5a,6,6](C[5a,6,6]C[3x6]C[5a])(P[3x6]N[5a,6,6]2)(C[5a]C[5a]H){3|H<1>,4|C<3>}	H(C[5a]N[5a,6,6]C[5a])	121.2570	1.855	3	121.2570	3.441	3	121.2570	3.441	3	121.2570	3.441	3	121.2570	3.441	3	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6,6a]-3:C[5a]-3:H-1:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6,6a]C[5a])	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	H(C[5a]N[5a,6,6a]C[5a])	126.3000	0.000	1	126.2059	0.066	7	126.2324	0.047	10	126.2324	0.047	10	126.2324	0.047	10	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6,6a]-3:C[5a]-3:H-1:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6,6a]C[5a])	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	H(C[5a]N[5a,6,6a]C[5a])	126.2790	0.322	2	126.2059	0.066	7	126.2324	0.047	10	126.2324	0.047	10	126.2324	0.047	10	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6,6a]-3:C[5a]-3:H-1:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6,6a]C[5a])	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>,2|C<4>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	H(C[5a]N[5a,6,6a]C[5a])	126.1465	0.402	2	126.2059	0.066	7	126.2324	0.047	10	126.2324	0.047	10	126.2324	0.047	10	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6,6a]-3:C[5a]-3:H-1:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6,6a]C[5a])	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>,2|C<4>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[5a]N[5a,6,6a]C[5a])	126.3620	0.000	1	126.2059	0.066	7	126.2324	0.047	10	126.2324	0.047	10	126.2324	0.047	10	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6,6a]-3:C[5a]-3:H-1:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6,6a]C[5a])	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,2|C<3>,2|C<4>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]C[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[5a]N[5a,6,6a]C[5a])	125.9280	0.000	1	126.2059	0.066	7	126.2324	0.047	10	126.2324	0.047	10	126.2324	0.047	10	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6,6a]-3:C[5a]-3:H-1:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]N[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6,6a]C[5a])	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|N<2>,2|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]N[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	H(C[5a]N[5a,6,6a]C[5a])	126.3620	0.000	1	126.3620	0.000	1	126.2324	0.047	10	126.2324	0.047	10	126.2324	0.047	10	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6,6a]-3:C[5a]-3:H-1:	B[6,6,6a]-4:C[5a,6,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H)	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]O[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6,6a]C[5a])	C[5a](N[5a,6,6a]C[5a,6,6a]B[6,6,6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>}	N[5a,6,6a](B[6,6,6a]C[5a,6,6a]O[6,6]C[6a])(C[5a,6,6a]B[6,6,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	H(C[5a]N[5a,6,6a]C[5a])	126.2605	0.060	2	126.2605	0.004	2	126.2324	0.047	10	126.2324	0.047	10	126.2324	0.047	10	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:2:1:	3:3:3:	3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]N[6]O)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]N[6]O){1|C<4>,3|H<1>}	H(C[5a]N[5a,6]N[5a])	124.4820	0.000	1	124.4820	0.000	1	124.4820	0.000	1	124.1707	0.089	6	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:2:1:	3:3:3:	3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6])(N[5a]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])(C[5a]N[5a]H)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[6,6])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])(C[5a]N[5a]H){2|H<1>,4|C<3>}	H(C[5a]N[5a,6]N[5a])	124.5120	0.000	1	124.5120	0.000	1	124.5120	0.000	1	124.1707	0.089	6	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:2:1:	3:3:3:	3:	N[5a,6]-3:N[5a]-2:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]H)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	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>}	H(C[5a]N[5a,6]N[5a])	124.2600	0.000	1	124.2600	0.000	1	124.0075	0.042	4	124.1707	0.089	6	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:2:1:	3:3:3:	3:	N[5a,6]-3:N[5a]-2:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]S[6])(C[5a]N[5a]H)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|S<2>,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>}	H(C[5a]N[5a,6]N[5a])	123.7850	0.000	1	123.7850	0.000	1	124.0075	0.042	4	124.1707	0.089	6	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:2:1:	3:3:3:	3:	N[5a,6]-3:N[5a]-2:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(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)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|N<3>,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>}	H(C[5a]N[5a,6]N[5a])	123.9925	0.114	2	123.9925	0.013	2	124.0075	0.042	4	124.1707	0.089	6	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:2:1:	3:3:4:	3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6,6]C[6])(N[5a]C[5a,6])(H)	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[5a]N[5a]H)(C[6]C[6]HH)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6,6]C[6])(N[5a]C[5a,6])(H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[5a]N[5a]H)(C[6]C[6]HH){1|H<1>,3|C<3>}	H(C[5a]N[5a,6]N[5a])	123.3070	0.000	1	123.3070	0.000	1	123.3070	0.000	1	123.3290	0.001	2	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:2:1:	3:3:4:	3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HO)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a])(H){1|H<1>,1|O<2>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HO){1|H<1>,3|C<3>}	H(C[5a]N[5a,6]N[5a])	123.3510	0.000	1	123.3510	0.000	1	123.3510	0.000	1	123.3290	0.001	2	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:2:1:	3:4:3:	3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6,6a]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]B[6])(N[5a]C[5a,6a])(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]C[5,6]CC)(C[5a]N[5a]H)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6,6a]B[6])(N[5a]C[5a,6a])(H){1|N<2>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]C[5,6]CC)(C[5a]N[5a]H){2|N<2>,2|N<3>}	H(C[5a]N[5a,6]N[5a])	121.8490	0.000	1	121.8490	0.000	1	121.8490	0.000	1	123.2714	2.381	5	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:2:1:	3:4:3:	3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[5a]N[5a,6]N[5a])	124.5185	0.293	2	124.3793	0.101	3	123.6270	2.331	4	123.2714	2.381	5	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:2:1:	3:4:3:	3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[5a]N[5a,6]N[5a])	124.1010	0.000	1	124.3793	0.101	3	123.6270	2.331	4	123.2714	2.381	5	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:2:1:	3:4:3:	3:	N[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a,6](C[5a,6]C[5a]N[6])(C[6]N[6a]C[6]H)(C[5a]N[5a]H)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[6]N[6a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|D<1>,1|H<1>,1|O<2>,3|C<3>}	H(C[5a]N[5a,6]N[5a])	121.3700	0.000	1	121.3700	0.000	1	123.6270	2.331	4	123.2714	2.381	5	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:2:1:	4:3:3:	3:	N[5a,6]-3:N[5a]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[5a]N[5a,6]N[5a])	123.7570	0.097	6	123.8548	0.021	26	123.8548	0.021	26	123.8548	0.021	26	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:2:1:	4:3:3:	3:	N[5a,6]-3:N[5a]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[5a]N[5a,6]N[5a])	123.9665	0.219	4	123.8548	0.021	26	123.8548	0.021	26	123.8548	0.021	26	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:2:1:	4:3:3:	3:	N[5a,6]-3:N[5a]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[5a]N[5a,6]N[5a])	123.8689	0.133	14	123.8548	0.021	26	123.8548	0.021	26	123.8548	0.021	26	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:2:1:	4:3:3:	3:	N[5a,6]-3:N[5a]-2:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H)	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a,6](C[5,6]C[5,6]N[5]H)(C[5a,6]C[5a]N[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[5a]N[5a,6]N[5a])	123.8270	0.000	2	123.8548	0.021	26	123.8548	0.021	26	123.8548	0.021	26	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[5a,6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a,6]C[5a,6]C[6])(H)	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]C[6]H)	H(C[5a]C[5a,6]N[5a,6])	C[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a,6]C[5a,6]C[6])(H){1|B<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	H(C[5a]C[5a,6]N[5a,6])	122.6455	0.050	2	122.6455	0.003	2	122.6455	0.003	2	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a,6]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6]N[5a,6]C[6])(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)	H(C[5a]C[5a,6]N[5a,6])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6]N[5a,6]C[6])(H){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>}	H(C[5a]C[5a,6]N[5a,6])	126.7510	0.000	1	126.7510	0.000	1	126.7510	0.000	1	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:C[5,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]C[5,6])(C[5a]C[5a,6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]N[5,6]O[5])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6,6a]C[5,6])(C[5a]C[5a,6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]N[5,6]O[5])(C[5a]C[5a]H){1|B<4>,1|H<1>,4|C<3>}	H(C[5a]N[5a,6]C[5a])	126.1030	0.000	1	126.1030	0.000	1	126.1030	0.000	1	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5,6]N[5])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(H){3|N<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5,6]N[5,6]N[5])(C[5a]C[5a]H){1|Cu<5>,1|H<1>,4|C<3>}	H(C[5a]N[5a,6]C[5a])	127.4280	0.000	1	127.4280	0.000	1	127.4280	0.000	1	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]2)(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]2)(C[5a]N[5a]H)(H){1|N<2>,2|N<3>}	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]H){1|H<1>,4|C<3>}	H(C[5a]N[5a,6]C[5a])	125.9485	2.627	10	125.9485	6.899	10	125.9485	6.899	10	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[5a]N[5a,6]C[5a])	125.8660	0.000	1	125.8660	0.000	1	126.4321	0.259	9	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]C)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]C){2|C<3>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	126.0410	0.000	1	126.0410	0.000	1	126.4321	0.259	9	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|N<3>,1|O<1>,4|H<1>}	H(C[5a]N[5a,6]C[5a])	126.0140	0.000	1	125.9615	0.006	2	126.4321	0.259	9	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|O<1>,1|O<2>,4|H<1>}	H(C[5a]N[5a,6]C[5a])	125.9090	0.000	1	125.9615	0.006	2	126.4321	0.259	9	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|C<4>,4|C<3>}	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<2>,1|H<1>,2|C<3>}	H(C[5a]N[5a,6]C[5a])	126.6210	0.000	1	126.6165	0.000	2	126.4321	0.259	9	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|C<4>,4|C<3>}	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]N[5a,6]C[5a])	126.6120	0.000	1	126.6165	0.000	2	126.4321	0.259	9	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	N[5a,6](C[5a,6]O[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]C)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|C<4>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6]O[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]C){1|H<1>,2|C<3>}	H(C[5a]N[5a,6]C[5a])	127.2270	0.000	1	127.2270	0.000	1	126.4321	0.259	9	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){2|C<3>,2|H<1>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	126.4990	0.000	1	126.4990	0.000	1	126.4321	0.259	9	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]C)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	127.1000	0.000	1	127.1000	0.000	1	126.4321	0.259	9	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|N<3>,1|O<1>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|C<4>}	H(C[5a]N[5a,6]C[5a])	127.0940	0.000	1	127.0940	0.000	1	127.2165	0.030	2	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|O<1>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	H(C[5a]N[5a,6]C[5a])	127.3390	0.000	1	127.3390	0.000	1	127.2165	0.030	2	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]N[6,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]N[6,6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	126.5290	0.000	1	126.5290	0.000	1	126.5290	0.000	1	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:B[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]B[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(B[5a,6]N[5a]Si[6])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]B[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|Si<4>,3|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>}	H(C[5a]N[5a,6]C[5a])	125.0050	0.000	1	125.0050	0.000	1	125.0050	0.000	1	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|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>}	H(C[5a]N[5a,6]C[5a])	126.1050	0.000	1	125.5825	1.319	4	125.8191	2.771	21	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|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>}	H(C[5a]N[5a,6]C[5a])	126.2130	0.000	1	125.5825	1.319	4	125.8191	2.771	21	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|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>}	H(C[5a]N[5a,6]C[5a])	126.1510	0.000	1	125.5825	1.319	4	125.8191	2.771	21	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|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>}	H(C[5a]N[5a,6]C[5a])	123.8610	0.000	1	125.5825	1.319	4	125.8191	2.771	21	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,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|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5a]N[5a,6]C[5a])	126.5530	0.000	1	125.6393	3.979	13	125.8191	2.771	21	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,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|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	126.2520	0.000	1	125.6393	3.979	13	125.8191	2.771	21	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,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>}	H(C[5a]N[5a,6]C[5a])	125.9010	0.000	1	125.6393	3.979	13	125.8191	2.771	21	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,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|N<3>,3|C<3>,4|H<1>}	H(C[5a]N[5a,6]C[5a])	126.1051	0.234	7	125.6393	3.979	13	125.8191	2.771	21	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,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>}	H(C[5a]N[5a,6]C[5a])	119.0650	0.000	1	125.6393	3.979	13	125.8191	2.771	21	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){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]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	126.0590	0.000	1	125.6393	3.979	13	125.8191	2.771	21	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){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]H){1|Si<4>,3|C<3>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	126.7450	0.000	1	125.6393	3.979	13	125.8191	2.771	21	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|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>}	H(C[5a]N[5a,6]C[5a])	126.1100	0.000	1	126.1100	0.000	1	125.8191	2.771	21	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]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)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,3|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>}	H(C[5a]N[5a,6]C[5a])	126.8490	0.000	1	126.8160	0.002	2	125.8191	2.771	21	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]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)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,3|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>}	H(C[5a]N[5a,6]C[5a])	126.7830	0.000	1	126.8160	0.002	2	125.8191	2.771	21	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H)	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,2|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>}	H(C[5a]N[5a,6]C[5a])	126.8180	0.000	1	126.8180	0.000	1	125.8191	2.771	21	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6]C[6a]C[6])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){4|C<3>}	N[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|H<1>,6|C<3>}	H(C[5a]N[5a,6]C[5a])	125.2760	0.000	1	125.2760	0.000	1	125.2760	0.000	1	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:N[5a,6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])2(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6]S)	H(C[5a]N[5a,6]2)	C[5a](N[5a,6]C[5a,6]C[6])2(H){2|S<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6]S){2|H<1>,3|C<3>}	H(C[5a]N[5a,6]2)	126.6130	0.167	2	126.6130	0.028	2	126.6130	0.028	2	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	H(C[5a]N[5a,6]N[5a])	125.8260	0.000	1	125.8260	0.000	1	126.2800	0.412	2	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>}	H(C[5a]N[5a,6]N[5a])	126.7340	0.000	1	126.7340	0.000	1	126.2800	0.412	2	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]N[5])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(C[5a]N[5a]H)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]N[5])(H){1|H<1>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(C[5a]N[5a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[5a]N[5a,6]N[5a])	127.8840	0.000	1	127.8840	0.000	1	127.8840	0.000	1	126.0011	2.903	55	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[5a,6]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF)	H(C[5a]C[5a,6a]N[5a,6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(H){1|N<3>,2|F<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF){5|C<3>}	H(C[5a]C[5a,6a]N[5a,6])	124.8310	0.000	1	125.1070	0.152	2	125.1070	0.152	2	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[5a,6]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF)	H(C[5a]C[5a,6a]N[5a,6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(H){1|N<3>,3|C<3>,3|F<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	H(C[5a]C[5a,6a]N[5a,6])	125.3830	0.000	1	125.1070	0.152	2	125.1070	0.152	2	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(B[6]N[6]FF)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(B[6]N[6]FF){1|C<3>,1|N<2>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	125.0910	0.000	1	125.0910	0.000	1	125.0910	0.000	1	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	126.1160	0.000	1	126.1160	0.000	1	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[5a]N[5a,6]C[5a])	125.2175	0.166	2	125.2175	0.028	2	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[5a]N[5a,6]C[5a])	125.9470	0.000	1	125.9470	0.000	1	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	126.0170	0.000	1	126.0170	0.000	1	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	125.5570	0.000	1	125.9309	0.043	10	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	125.8075	0.100	2	125.9309	0.043	10	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<2>,4|H<1>}	H(C[5a]N[5a,6]C[5a])	126.1140	0.000	1	125.9309	0.043	10	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	126.0038	0.167	6	125.9309	0.043	10	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	125.9930	0.000	1	125.8462	0.090	4	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<2>,2|C<4>,4|H<1>}	H(C[5a]N[5a,6]C[5a])	125.8390	0.000	1	125.8462	0.090	4	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<4>,5|H<1>}	H(C[5a]N[5a,6]C[5a])	125.7765	0.489	2	125.8462	0.090	4	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|H<1>}	H(C[5a]N[5a,6]C[5a])	125.8980	0.000	1	125.8980	0.000	1	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<3>,4|H<1>}	H(C[5a]N[5a,6]C[5a])	126.0610	0.000	1	126.0610	0.000	1	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[5a]N[5a,6]C[5a])	127.2560	0.000	1	127.2560	0.000	1	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]FF)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){2|C<4>,2|F<1>}	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,1|O<2>,2|C<4>,2|F<1>}	H(C[5a]N[5a,6]C[5a])	127.5300	0.000	1	127.5300	0.000	1	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,2|F<1>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,2|C<3>,2|F<1>}	H(C[5a]N[5a,6]C[5a])	127.7695	0.097	2	127.7253	0.011	3	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){2|C<4>,2|F<1>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,1|O<2>,2|C<4>,2|F<1>}	H(C[5a]N[5a,6]C[5a])	127.6370	0.000	1	127.7253	0.011	3	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:3:4:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){2|C<4>,2|H<1>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,1|F<1>,4|H<1>}	H(C[5a]N[5a,6]C[5a])	127.3100	0.000	1	127.3100	0.000	1	126.2385	0.582	27	126.1248	0.647	30	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6,6]B[6])(C[5a]C[5a,6]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6,6]B[6])(C[5a]C[5a,6]H)(H){1|N<3>,2|C<3>,2|F<1>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[5a]N[5a,6]C[5a])	124.3100	0.000	1	124.3100	0.000	1	124.3100	0.000	1	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6,6]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]C)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]C)(H){1|C<3>,1|H<1>,3|C<4>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	125.9390	0.000	1	125.9390	0.000	1	125.9390	0.000	1	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]B[6])(C[5a]C[5a,6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6,6a]B[6])(C[5a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)(C[5a]C[5a]H){1|H<1>,8|C<3>}	H(C[5a]N[5a,6]C[5a])	124.4105	0.250	2	124.4105	0.062	2	124.4105	0.062	2	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]Cl)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]Cl)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[5a]C[5a]H){1|Cl<1>,6|C<3>}	H(C[5a]N[5a,6]C[5a])	125.6590	0.115	2	125.6590	0.013	2	125.5478	0.022	4	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H){1|H<1>,5|C<3>}	H(C[5a]N[5a,6]C[5a])	125.4365	0.045	2	125.4365	0.002	2	125.5478	0.022	4	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]2)(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	H(C[5a]N[5a,6]C[5a])	124.7535	0.117	2	124.7535	0.014	2	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(H){1|H<1>,1|N<3>,3|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	125.5920	0.000	1	125.5920	0.000	1	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[5a]N[5a,6]C[5a])	125.0640	0.125	4	125.0640	0.016	4	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[5a]N[5a,6]C[5a])	124.7990	0.000	1	124.7990	0.000	1	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[5a]N[5a,6]C[5a])	125.1290	0.000	1	125.1290	0.000	1	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[5a]N[5a,6]C[5a])	124.6450	0.000	1	124.8152	0.030	5	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[5a]N[5a,6]C[5a])	125.0330	0.000	1	124.8152	0.030	5	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	H(C[5a]N[5a,6]C[5a])	124.7993	0.147	3	124.8152	0.030	5	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[5])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[5])(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[5a]N[5a,6]C[5a])	124.5950	0.000	1	124.5950	0.000	1	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	H(C[5a]N[5a,6]C[5a])	124.8055	0.152	2	124.8055	0.023	2	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	H(C[5a]N[5a,6]C[5a])	124.4330	0.235	10	124.4330	0.055	10	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|Cl<1>,1|H<1>,2|C<3>}	H(C[5a]N[5a,6]C[5a])	125.5670	0.000	1	125.5670	0.000	1	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,3|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|C<3>,1|C<4>,4|H<1>}	H(C[5a]N[5a,6]C[5a])	119.8290	0.000	1	122.3695	12.908	2	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[5a]N[5a,6]C[5a])	124.9100	0.000	1	122.3695	12.908	2	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[5a]N[5a,6]C[5a])	124.6990	0.010	2	124.6990	0.000	2	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[5a]N[5a,6]C[5a])	124.5490	0.075	2	124.5490	0.006	2	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<2>,1|C<3>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	H(C[5a]N[5a,6]C[5a])	120.3740	0.000	1	124.7645	0.419	311	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	H(C[5a]N[5a,6]C[5a])	124.7931	0.174	28	124.7645	0.419	311	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[5a]N[5a,6]C[5a])	124.8185	0.220	22	124.7645	0.419	311	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|H<1>}	H(C[5a]N[5a,6]C[5a])	124.8528	0.078	6	124.7645	0.419	311	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[5a]N[5a,6]C[5a])	124.9675	0.139	29	124.7645	0.419	311	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[5a]N[5a,6]C[5a])	124.7444	0.337	18	124.7645	0.419	311	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Pt<4>,2|C<3>,2|H<1>}	H(C[5a]N[5a,6]C[5a])	124.8238	0.321	19	124.7645	0.419	311	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[5a]N[5a,6]C[5a])	123.4427	2.436	3	124.7645	0.419	311	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|C<3>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	124.9667	0.273	3	124.7645	0.419	311	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[5a]N[5a,6]C[5a])	124.7567	0.687	182	124.7645	0.419	311	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	125.1570	0.000	1	125.1570	0.000	1	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[6,6]C[5a])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[6,6]C[5a])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[5a]N[5a,6]C[5a])	124.8610	0.000	1	124.8610	0.000	1	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,1|I<1>,3|C<3>}	H(C[5a]N[5a,6]C[5a])	125.3932	0.238	4	124.6614	2.721	5	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]I)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|H<1>}	H(C[5a]N[5a,6]C[5a])	121.7340	0.000	1	124.6614	2.721	5	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Si)(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Si)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Si<4>,1|H<1>,3|C<3>}	H(C[5a]N[5a,6]C[5a])	123.9660	0.000	1	123.9660	0.000	1	124.7472	0.482	353	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	H(C[5a]N[5a,6]C[5a])	125.7570	0.000	1	125.7570	0.000	1	125.5985	3.175	8	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]HH)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]HH)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	H(C[5a]N[5a,6]C[5a])	125.7922	0.075	4	125.7922	0.006	4	125.5985	3.175	8	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]HO)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]HO)(C[5a]C[5a]H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[5a]N[5a,6]C[5a])	121.4810	0.000	1	121.4810	0.000	1	125.5985	3.175	8	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a]C[6]H)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	127.1905	0.087	2	127.1905	0.008	2	125.5985	3.175	8	124.7745	0.548	369	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:6:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:Ga[3x6]-6:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]Ga[3x6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(Ga[3x6]N[5a,6]5)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]Ga[3x6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,5|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(Ga[3x6]N[5a,6]5)(C[5a]C[5a]H){11|C<3>,2|H<1>}	H(C[5a]N[5a,6]C[5a])	124.1308	0.201	12	124.1308	0.040	12	124.1308	0.040	12	124.1248	0.033	25	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:6:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:In[3x6]-6:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]In[3x6])(C[5a]C[5a]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]In[3x6])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,5|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H){11|C<3>,1|C<2>,1|H<1>}	H(C[5a]N[5a,6]C[5a])	124.1045	0.128	4	124.1045	0.016	4	124.1193	0.029	13	124.1248	0.033	25	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	3:6:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:In[3x6]-6:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]In[3x6])(C[5a]C[5a]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]In[3x6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,5|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H){11|C<3>,2|H<1>}	H(C[5a]N[5a,6]C[5a])	124.1259	0.195	9	124.1259	0.038	9	124.1193	0.029	13	124.1248	0.033	25	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(H)	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[5,6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[5a]N[5a,6]C[5a])	124.9197	0.251	3	124.9197	0.063	3	124.9197	0.063	3	125.0175	0.274	22	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)(H)	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	H(C[5a]N[5a,6]C[5a])	124.8822	0.170	4	124.8822	0.029	4	124.8822	0.029	4	125.0175	0.274	22	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,7|C<3>}	H(C[5a]N[5a,6]C[5a])	125.3490	0.000	1	125.3490	0.000	1	124.9254	0.132	7	125.0175	0.274	22	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	H(C[5a]N[5a,6]C[5a])	124.8610	0.226	2	124.8610	0.051	2	124.9254	0.132	7	125.0175	0.274	22	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	H(C[5a]N[5a,6]C[5a])	124.6155	0.303	2	124.6155	0.092	2	124.9254	0.132	7	125.0175	0.274	22	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H)	N[5a,6](B[6]N[6,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](B[6]N[6,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|H<1>,5|C<3>}	H(C[5a]N[5a,6]C[5a])	125.0880	0.465	2	125.0880	0.216	2	124.9254	0.132	7	125.0175	0.274	22	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[5a]N[5a,6]C[5a])	125.7260	0.167	3	125.7260	0.028	3	125.7540	0.015	5	125.0175	0.274	22	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[5a]N[5a,6]C[5a])	125.7960	0.007	2	125.7960	0.000	2	125.7540	0.015	5	125.0175	0.274	22	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|C<4>,1|O<1>,3|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	H(C[5a]N[5a,6]C[5a])	123.9300	0.000	1	124.2827	0.094	3	124.2827	0.094	3	125.0175	0.274	22	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]N[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|O<1>,2|C<3>,2|C<4>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	H(C[5a]N[5a,6]C[5a])	124.4590	0.044	2	124.2827	0.094	3	124.2827	0.094	3	125.0175	0.274	22	124.8840	1.070	540	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6a,6a]-3:C[5a]-3:H-1:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a]N[5a]H)(H)	N[5a,6a,6a](B[3x6a]C[5,6a,6a]N[6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6a,6a]C[5a])	C[5a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	N[5a,6a,6a](B[3x6a]C[5,6a,6a]N[6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	H(C[5a]N[5a,6a,6a]C[5a])	126.1840	0.000	1	126.1840	0.000	1	126.3685	0.068	2	126.3685	0.068	2	126.3685	0.068	2	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6a,6a]-3:C[5a]-3:H-1:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a]N[5a]H)(H)	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6a,6a]C[5a])	C[5a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	H(C[5a]N[5a,6a,6a]C[5a])	126.5530	0.000	1	126.5530	0.000	1	126.3685	0.068	2	126.3685	0.068	2	126.3685	0.068	2	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:2:1:	3:3:2:	3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a])	H(C[5a]N[5a,6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>}	H(C[5a]N[5a,6a]N[5a])	124.7111	0.627	14	124.6230	0.481	15	124.9398	0.548	26	124.9398	0.548	26	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:2:1:	3:3:2:	3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a])	H(C[5a]N[5a,6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	H(C[5a]N[5a,6a]N[5a])	123.3890	0.000	1	124.6230	0.481	15	124.9398	0.548	26	124.9398	0.548	26	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:2:1:	3:3:2:	3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	H(C[5a]N[5a,6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>}	H(C[5a]N[5a,6a]N[5a])	126.3450	0.000	1	125.3717	0.341	11	124.9398	0.548	26	124.9398	0.548	26	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:2:1:	3:3:2:	3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	H(C[5a]N[5a,6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|N<3>}	H(C[5a]N[5a,6a]N[5a])	125.0593	0.553	6	125.3717	0.341	11	124.9398	0.548	26	124.9398	0.548	26	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:2:1:	3:3:2:	3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	H(C[5a]N[5a,6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|O<1>}	H(C[5a]N[5a,6a]N[5a])	125.3690	0.000	1	125.3717	0.341	11	124.9398	0.548	26	124.9398	0.548	26	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:2:1:	3:3:2:	3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	H(C[5a]N[5a,6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|O<2>}	H(C[5a]N[5a,6a]N[5a])	125.8510	0.000	1	125.3717	0.341	11	124.9398	0.548	26	124.9398	0.548	26	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:2:1:	3:3:2:	3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a])	H(C[5a]N[5a,6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(N[6a]C[6a]){2|N<2>}	H(C[5a]N[5a,6a]N[5a])	125.5840	0.164	2	125.3717	0.341	11	124.9398	0.548	26	124.9398	0.548	26	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|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>}	H(C[5a]N[5a,6a]N[5a])	124.1610	0.000	1	124.1610	0.000	1	124.0830	0.635	15	124.0785	0.994	19	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a,6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<2>,1|N<2>,2|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>}	H(C[5a]N[5a,6a]N[5a])	123.9540	0.000	1	123.9540	0.000	1	124.0830	0.635	15	124.0785	0.994	19	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	H(C[5a]N[5a,6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	H(C[5a]N[5a,6a]N[5a])	124.0212	0.863	12	124.0212	0.744	12	124.0830	0.635	15	124.0785	0.994	19	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,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>}	H(C[5a]N[5a,6a]N[5a])	124.8760	0.000	1	124.8760	0.000	1	124.0830	0.635	15	124.0785	0.994	19	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]H)	H(C[5a]N[5a,6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|O<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5a]N[5a,6a]N[5a])	121.4790	0.000	1	121.4790	0.000	1	124.0615	3.003	4	124.0785	0.994	19	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]H)	H(C[5a]N[5a,6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|O<1>,3|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>}	H(C[5a]N[5a,6a]N[5a])	124.9270	0.000	1	124.9270	0.000	1	124.0615	3.003	4	124.0785	0.994	19	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	H(C[5a]N[5a,6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|N<2>,2|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>}	H(C[5a]N[5a,6a]N[5a])	124.6800	0.000	1	124.6800	0.000	1	124.0615	3.003	4	124.0785	0.994	19	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	H(C[5a]N[5a,6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|Cl<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>}	H(C[5a]N[5a,6a]N[5a])	125.1600	0.000	1	125.1600	0.000	1	124.0615	3.003	4	124.0785	0.994	19	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a])	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(H){3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	H(C[5a]N[5a,6a]C[5a])	126.1300	0.000	1	126.1300	0.000	1	126.5708	0.385	6	126.5708	0.385	6	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a])	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[5a]N[5a,6a]C[5a])	126.1863	0.026	3	126.1863	0.001	3	126.5708	0.385	6	126.5708	0.385	6	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<3>}	H(C[5a]N[5a,6a]C[5a])	127.2770	0.000	1	127.2770	0.000	1	126.5708	0.385	6	126.5708	0.385	6	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[6a]N[6a])	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[6a]N[6a]){1|H<1>,2|C<3>}	H(C[5a]N[5a,6a]C[5a])	127.4590	0.000	1	127.4590	0.000	1	126.5708	0.385	6	126.5708	0.385	6	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5,5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,1|O<2>,2|C<4>,3|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>}	H(C[5a]N[5a,6a]C[5,5a])	126.8720	0.000	1	126.8720	0.000	1	126.8720	0.000	1	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]B[5a,6a]C[6a])(C[5a]N[5a]H)(H){2|C<3>,2|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>}	H(C[5a]N[5a,6a]C[5a])	126.6370	0.000	1	126.6370	0.000	1	126.6370	0.000	1	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	B[6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<3>,1|C<4>,2|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	H(C[5a]N[5a,6a]C[5a])	125.8450	0.065	2	125.8450	0.004	2	125.8450	0.004	2	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(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)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|O<1>,3|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>}	H(C[5a]N[5a,6a]C[5a])	122.6930	0.000	1	122.6930	0.000	1	122.6930	0.000	1	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[5a]N[5a,6a]C[5a])	125.6685	0.323	2	125.6685	0.104	2	126.6239	3.687	13	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)(H){1|H<1>,1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[5a]N[5a,6a]C[5a])	120.7140	0.000	1	120.7140	0.000	1	126.6239	3.687	13	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(H){1|C<4>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[5a]N[5a,6a]C[5a])	126.7050	0.007	2	126.7050	0.000	2	126.6239	3.687	13	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])2(C[5a]C[5a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(H){1|N<2>,2|N<3>}	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])2(C[5a]C[5a]H){1|H<1>,4|C<3>}	H(C[5a]N[5a,6a]C[5a])	127.5812	0.077	8	127.5812	0.006	8	126.6239	3.687	13	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	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>}	H(C[5a]N[5a,6a]C[5a])	125.9470	0.000	1	125.7255	0.098	2	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]B[5a]C[5a])(H){2|C<3>,2|H<1>,2|N<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>}	H(C[5a]N[5a,6a]C[5a])	125.5040	0.000	1	125.7255	0.098	2	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,2|H<1>,3|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>}	H(C[5a]N[5a,6a]C[5a])	126.0520	0.000	1	126.0520	0.000	1	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|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>}	H(C[5a]N[5a,6a]C[5a])	125.6680	0.000	1	125.8555	0.070	2	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	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>}	H(C[5a]N[5a,6a]C[5a])	126.0430	0.000	1	125.8555	0.070	2	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|O<2>,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>}	H(C[5a]N[5a,6a]C[5a])	125.9680	0.000	1	125.9680	0.000	1	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|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>}	H(C[5a]N[5a,6a]C[5a])	125.8790	0.000	1	125.8790	0.000	1	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|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>}	H(C[5a]N[5a,6a]C[5a])	125.5465	0.289	2	125.5465	0.084	2	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|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>}	H(C[5a]N[5a,6a]C[5a])	126.0830	0.000	1	126.1093	0.017	4	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	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>}	H(C[5a]N[5a,6a]C[5a])	126.1430	0.000	1	126.1093	0.017	4	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	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>}	H(C[5a]N[5a,6a]C[5a])	126.2630	0.000	1	126.1093	0.017	4	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	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>}	H(C[5a]N[5a,6a]C[5a])	125.9480	0.000	1	126.1093	0.017	4	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|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>}	H(C[5a]N[5a,6a]C[5a])	126.1490	0.000	1	126.1490	0.000	1	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|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>}	H(C[5a]N[5a,6a]C[5a])	126.2290	0.000	1	126.2290	0.000	1	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(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>}	H(C[5a]N[5a,6a]C[5a])	127.0550	0.000	1	127.0550	0.000	1	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|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>}	H(C[5a]N[5a,6a]C[5a])	127.0240	0.000	1	127.0240	0.000	1	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|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|Br<1>,1|H<1>,2|C<3>}	H(C[5a]N[5a,6a]C[5a])	126.4770	0.686	2	125.7783	5.320	23	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|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|C<2>,1|H<1>,2|C<3>}	H(C[5a]N[5a,6a]C[5a])	120.7407	0.299	3	125.7783	5.320	23	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|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|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5a]N[5a,6a]C[5a])	127.2920	0.000	1	125.7783	5.320	23	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|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|C<4>,1|H<1>,2|C<3>}	H(C[5a]N[5a,6a]C[5a])	126.7600	0.000	1	125.7783	5.320	23	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|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>,1|N<3>,2|C<3>}	H(C[5a]N[5a,6a]C[5a])	126.9725	0.252	2	125.7783	5.320	23	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|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>}	H(C[5a]N[5a,6a]C[5a])	126.8964	0.157	5	125.7783	5.320	23	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|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){2|C<3>,2|H<1>}	H(C[5a]N[5a,6a]C[5a])	126.0470	1.889	8	125.7783	5.320	23	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|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){4|C<3>}	H(C[5a]N[5a,6a]C[5a])	126.8690	0.000	1	125.7783	5.320	23	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<3>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){2|C<3>}	H(C[5a]N[5a,6a]C[5a])	127.4497	0.032	3	127.4497	0.001	3	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,2|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>}	H(C[5a]N[5a,6a]C[5a])	126.6870	0.000	1	126.6870	0.000	1	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|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>}	H(C[5a]N[5a,6a]C[5a])	127.0090	0.000	1	127.0090	0.000	1	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(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<3>,1|C<4>,2|H<1>}	H(C[5a]N[5a,6a]C[5a])	127.1350	0.000	1	127.0125	0.030	2	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(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){2|C<3>,2|H<1>}	H(C[5a]N[5a,6a]C[5a])	126.8900	0.000	1	127.0125	0.030	2	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]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){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[5a]N[5a,6a]C[5a])	127.0610	0.112	2	127.0600	0.091	7	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]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){1|Br<1>,1|N<3>,2|C<3>}	H(C[5a]N[5a,6a]C[5a])	127.3480	0.146	2	127.0600	0.091	7	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]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){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5a]N[5a,6a]C[5a])	127.1470	0.000	1	127.0600	0.091	7	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]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){1|C<3>,1|C<4>,2|H<1>}	H(C[5a]N[5a,6a]C[5a])	126.4840	0.000	1	127.0600	0.091	7	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]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){1|Cl<1>,1|C<3>,2|C<4>}	H(C[5a]N[5a,6a]C[5a])	126.9710	0.000	1	127.0600	0.091	7	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	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>}	H(C[5a]N[5a,6a]C[5a])	126.9607	0.131	3	126.9607	0.017	3	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){3|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>}	H(C[5a]N[5a,6a]C[5a])	127.2050	0.000	1	127.2050	0.000	1	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[5a]N[5a,6a]C[5a])	127.4755	0.054	2	127.5058	0.003	4	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	H(C[5a]N[5a,6a]C[5a])	127.5360	0.047	2	127.5058	0.003	4	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(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>}	H(C[5a]N[5a,6a]C[5a])	127.3980	0.116	2	127.3980	0.013	2	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]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|Br<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[5a]N[5a,6a]C[5a])	127.2360	0.144	3	127.3021	0.076	8	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]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>}	H(C[5a]N[5a,6a]C[5a])	127.3130	0.593	2	127.3021	0.076	8	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]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|H<1>,1|N<2>,2|C<3>}	H(C[5a]N[5a,6a]C[5a])	127.4945	0.077	2	127.3021	0.076	8	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]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>}	H(C[5a]N[5a,6a]C[5a])	127.0940	0.000	1	127.3021	0.076	8	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|O<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	H(C[5a]N[5a,6a]C[5a])	127.7200	0.000	1	125.3735	11.012	2	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	H(C[5a]N[5a,6a]C[5a])	123.0270	0.000	1	125.3735	11.012	2	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	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>}	H(C[5a]N[5a,6a]C[5a])	127.4990	0.178	2	127.4990	0.032	2	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	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>}	H(C[5a]N[5a,6a]C[5a])	127.0640	0.000	1	127.0640	0.000	1	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,1|O<1>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	H(C[5a]N[5a,6a]C[5a])	126.7125	0.002	2	126.7125	0.000	2	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	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>}	H(C[5a]N[5a,6a]C[5a])	126.3110	0.000	1	126.3240	0.000	2	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	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>}	H(C[5a]N[5a,6a]C[5a])	126.3370	0.000	1	126.3240	0.000	2	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|C<3>,1|N<2>,1|O<1>}	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>}	H(C[5a]N[5a,6a]C[5a])	123.2720	0.000	1	123.2720	0.000	1	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(H){1|C<3>,1|N<2>,1|O<1>}	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>}	H(C[5a]N[5a,6a]C[5a])	123.6280	0.000	1	123.6280	0.000	1	126.4162	2.297	83	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|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>}	H(C[5a]N[5a,6a]C[5a])	126.1340	0.000	1	126.1340	0.000	1	126.1340	0.000	1	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H){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>}	H(C[5a]N[5a,6a]C[5a])	125.6240	0.000	1	125.6240	0.000	1	125.6088	1.149	29	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){6|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>}	H(C[5a]N[5a,6a]C[5a])	125.4965	0.248	2	125.4965	0.062	2	125.6088	1.149	29	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|C<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>}	H(C[5a]N[5a,6a]C[5a])	126.0040	0.000	1	125.9813	0.035	20	125.6088	1.149	29	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){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<3>,1|N<3>,2|H<1>,3|N<2>}	H(C[5a]N[5a,6a]C[5a])	125.9400	0.133	2	125.9813	0.035	20	125.6088	1.149	29	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){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>}	H(C[5a]N[5a,6a]C[5a])	126.0505	0.016	2	125.9813	0.035	20	125.6088	1.149	29	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){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<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5a]N[5a,6a]C[5a])	125.2590	0.000	1	125.9813	0.035	20	125.6088	1.149	29	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){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|N<2>,3|C<3>,3|H<1>}	H(C[5a]N[5a,6a]C[5a])	126.0238	0.086	5	125.9813	0.035	20	125.6088	1.149	29	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){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|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[5a]N[5a,6a]C[5a])	126.0595	0.077	2	125.9813	0.035	20	125.6088	1.149	29	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){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|N<3>,3|C<3>,3|H<1>}	H(C[5a]N[5a,6a]C[5a])	126.0620	0.000	1	125.9813	0.035	20	125.6088	1.149	29	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){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|Si<4>,3|C<3>,3|H<1>}	H(C[5a]N[5a,6a]C[5a])	126.1520	0.000	1	125.9813	0.035	20	125.6088	1.149	29	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){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){3|H<1>,4|C<3>}	H(C[5a]N[5a,6a]C[5a])	126.0122	0.055	4	125.9813	0.035	20	125.6088	1.149	29	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]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)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|I<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|I<1>,1|N<2>,2|C<3>,3|H<1>}	H(C[5a]N[5a,6a]C[5a])	125.8810	0.000	1	125.9813	0.035	20	125.6088	1.149	29	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|N<2>,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>}	H(C[5a]N[5a,6a]C[5a])	126.1650	0.000	1	126.1650	0.000	1	125.6088	1.149	29	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){1|N<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|H<1>,4|C<3>}	H(C[5a]N[5a,6a]C[5a])	123.2032	0.787	4	123.2032	0.620	4	125.6088	1.149	29	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){1|N<2>,2|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>}	H(C[5a]N[5a,6a]C[5a])	127.4330	0.000	1	127.4330	0.000	1	125.6088	1.149	29	126.2239	2.264	131	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]B[5])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<3>,1|B<4>,1|C<4>,2|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]B[5])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,2|O<2>,3|C<3>}	H(C[5a]N[5a,6a]C[5a])	126.1690	0.000	1	126.1690	0.000	1	125.9453	0.037	13	125.9453	0.037	13	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|Cl<1>,1|B<4>,1|C<4>,2|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	H(C[5a]N[5a,6a]C[5a])	125.8790	0.000	1	125.8790	0.000	1	125.9453	0.037	13	125.9453	0.037	13	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|B<3>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	H(C[5a]N[5a,6a]C[5a])	126.0170	0.000	1	126.0835	0.009	2	125.9453	0.037	13	125.9453	0.037	13	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]H)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|P<3>,2|N<3>,3|C<3>}	H(C[5a]N[5a,6a]C[5a])	126.1500	0.000	1	126.0835	0.009	2	125.9453	0.037	13	125.9453	0.037	13	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]O)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	H(C[5a]N[5a,6a]C[5a])	125.9205	0.146	6	125.9205	0.021	6	125.9453	0.037	13	125.9453	0.037	13	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	N[5a,6a](B[6a]C[5a,6a]C[6a]P)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|B<4>,1|C<4>,1|P<3>,2|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]P)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[5a]N[5a,6a]C[5a])	125.7000	0.000	1	125.7000	0.000	1	125.9453	0.037	13	125.9453	0.037	13	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6a]-3:C[5a]-3:H-1:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H)	N[5a,6a](B[6a]N[5a,6a]C[6a]2)(C[5a,6a]Ge[6a]N[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6a]C[5a])	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]N[5a]H)(H){1|Ge<3>,1|C<4>,1|N<3>,2|C<3>}	N[5a,6a](B[6a]N[5a,6a]C[6a]2)(C[5a,6a]Ge[6a]N[5a])(C[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,6|C<3>}	H(C[5a]N[5a,6a]C[5a])	125.9255	0.408	2	125.9255	0.166	2	125.9453	0.037	13	125.9453	0.037	13	125.8358	2.221	195	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	H(C[5a]N[5a]2)	124.7803	1.431	20	124.6092	1.540	39	124.6718	1.658	40	124.6718	1.658	40	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>}	H(C[5a]N[5a]2)	124.5160	1.642	3	124.6092	1.540	39	124.6718	1.658	40	124.6718	1.658	40	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|N<2>}	H(C[5a]N[5a]2)	123.5105	1.493	2	124.6092	1.540	39	124.6718	1.658	40	124.6718	1.658	40	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	H(C[5a]N[5a]2)	124.3454	0.893	10	124.6092	1.540	39	124.6718	1.658	40	124.6718	1.658	40	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|S<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|S<2>}	H(C[5a]N[5a]2)	125.0323	0.353	4	124.6092	1.540	39	124.6718	1.658	40	124.6718	1.658	40	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	H(C[5a]N[5a]2)	127.1150	0.000	1	127.1150	0.000	1	124.6718	1.658	40	124.6718	1.658	40	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC){1|H<1>}	H(C[5a]N[5a]2)	123.4810	0.000	1	123.4810	0.000	1	122.1855	3.357	2	122.1855	3.357	2	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NN)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NN)	H(C[5a]N[5a]2)	120.8900	0.000	1	120.8900	0.000	1	122.1855	3.357	2	122.1855	3.357	2	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC){1|H<1>}	H(C[5a]N[5a]2)	124.1689	0.972	16	124.1689	0.944	16	124.2698	0.601	26	124.3874	0.722	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]C)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]C){1|H<1>}	H(C[5a]N[5a]2)	124.2715	0.170	2	124.2715	0.029	2	124.2698	0.601	26	124.3874	0.722	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]C)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]C){1|H<1>}	H(C[5a]N[5a]2)	124.0200	0.000	1	124.0200	0.000	1	124.2698	0.601	26	124.3874	0.722	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]O)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]O){1|H<1>}	H(C[5a]N[5a]2)	124.6010	0.000	1	124.6010	0.000	1	124.2698	0.601	26	124.3874	0.722	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN){1|H<1>}	H(C[5a]N[5a]2)	124.7650	0.000	1	124.5505	0.023	4	124.2698	0.601	26	124.3874	0.722	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN){1|N<3>}	H(C[5a]N[5a]2)	124.4790	0.061	3	124.5505	0.023	4	124.2698	0.601	26	124.3874	0.722	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNO)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|S<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNO){1|S<4>}	H(C[5a]N[5a]2)	124.5890	0.000	1	124.5890	0.000	1	124.2698	0.601	26	124.3874	0.722	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(COO)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(COO){1|H<1>}	H(C[5a]N[5a]2)	124.3570	0.000	1	124.3570	0.000	1	124.2698	0.601	26	124.3874	0.722	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H){1|N<3>}	H(C[5a]N[5a]2)	125.4230	0.233	2	125.4230	0.054	2	124.8970	1.090	6	124.3874	0.722	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NCH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NCH)	H(C[5a]N[5a]2)	124.1700	0.000	1	124.1700	0.000	1	124.8970	1.090	6	124.3874	0.722	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NHH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NHH)	H(C[5a]N[5a]2)	124.7887	1.462	3	124.7887	2.138	3	124.8970	1.090	6	124.3874	0.722	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5]HH){1|H<1>}	H(C[5a]N[5a]2)	123.5920	0.000	1	123.5920	0.000	1	123.8187	0.013	6	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H){1|H<1>}	H(C[5a]N[5a]2)	123.8850	0.031	3	123.8850	0.001	3	123.8187	0.013	6	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH){1|H<1>}	H(C[5a]N[5a]2)	123.8325	0.012	2	123.8325	0.000	2	123.8187	0.013	6	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	H(C[5a]N[5a]2)	124.5833	0.411	10	124.5833	0.169	10	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	H(C[5a]N[5a]2)	124.4280	0.024	2	123.9022	1.863	79	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	H(C[5a]N[5a]2)	123.8739	1.383	76	123.9022	1.863	79	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|N<3>}	H(C[5a]N[5a]2)	125.0050	0.000	1	123.9022	1.863	79	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	H(C[5a]N[5a]2)	124.5683	0.186	3	124.5683	0.035	3	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS){1|H<1>}	H(C[5a]N[5a]2)	124.2565	0.067	4	124.2565	0.004	4	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	H(C[5a]N[5a]2)	124.8854	0.980	20	124.8854	0.960	20	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	H(C[5a]N[5a]2)	124.3886	0.063	5	124.3886	0.004	5	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|S<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]HH){1|S<2>}	H(C[5a]N[5a]2)	124.1920	0.000	1	124.1920	0.000	1	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CH){1|N<3>}	H(C[5a]N[5a]2)	121.8690	0.000	1	121.8690	0.000	1	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	H(C[5a]N[5a]2)	124.6527	0.460	15	124.4382	0.933	16	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|S<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|S<2>}	H(C[5a]N[5a]2)	121.2210	0.000	1	124.4382	0.933	16	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3){1|N<2>}	H(C[5a]N[5a]2)	124.2060	0.000	1	124.2060	0.000	1	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHN)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHN){1|N<3>}	H(C[5a]N[5a]2)	120.4270	0.000	1	120.4270	0.000	1	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|H<1>}	H(C[5a]N[5a]2)	124.5252	0.239	4	124.5252	0.057	4	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHS)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHS){1|H<1>}	H(C[5a]N[5a]2)	124.7990	0.000	1	124.7990	0.000	1	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH){1|H<1>}	H(C[5a]N[5a]2)	124.2020	0.000	1	124.2020	0.000	1	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH){1|H<1>}	H(C[5a]N[5a]2)	124.5810	0.137	2	124.5810	0.019	2	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	H(C[5a]N[5a]2)	123.0865	0.151	2	123.0865	0.023	2	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC3)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC3)	H(C[5a]N[5a]2)	125.2015	0.194	2	125.2015	0.038	2	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCH)	H(C[5a]N[5a]2)	125.0130	0.000	1	125.0130	0.000	1	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	H(C[5a]N[5a]2)	124.9156	1.198	27	124.9156	1.436	27	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	H(C[5a]N[5a]2)	125.2463	0.275	3	125.2463	0.076	3	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]N[5a]2)	124.8045	0.589	2	124.8045	0.347	2	124.3125	1.503	186	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:	C[5a](N[5a]N[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(SC[6a]OO)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]S)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(SC[6a]OO){1|H<1>}	H(C[5a]N[5a]2)	124.7610	0.000	1	124.7610	0.000	1	124.7610	0.000	1	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:2:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:Si-4:	C[5a]-3:	C[5a](N[5a]N[5a]Si)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(SiC3)	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]Si)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(SiC3)	H(C[5a]N[5a]2)	123.3830	0.000	1	123.3830	0.000	1	123.3830	0.000	1	124.2947	1.454	194	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,5a]H)(N[5a]C[5a,5a])(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,5a]H)(N[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	H(C[5a]N[5a]2)	123.2110	0.000	1	123.2110	0.000	1	123.2110	0.000	1	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<2>,1|N<3>,1|S<1>}	H(C[5a]N[5a]2)	123.0855	0.402	2	122.6649	3.730	27	122.7464	2.434	63	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<2>,2|N<3>}	H(C[5a]N[5a]2)	125.0630	0.000	1	122.6649	3.730	27	122.7464	2.434	63	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<2>,2|N<3>}	H(C[5a]N[5a]2)	122.6026	1.586	17	122.6649	3.730	27	122.7464	2.434	63	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<3>,2|N<2>}	H(C[5a]N[5a]2)	116.2660	0.000	1	122.6649	3.730	27	122.7464	2.434	63	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){3|N<3>}	H(C[5a]N[5a]2)	124.2130	1.905	2	122.6649	3.730	27	122.7464	2.434	63	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	H(C[5a]N[5a]2)	123.2345	0.091	2	122.6649	3.730	27	122.7464	2.434	63	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|O<1>,2|C<3>}	H(C[5a]N[5a]2)	123.0780	0.000	1	122.6649	3.730	27	122.7464	2.434	63	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){2|C<4>,2|H<1>}	H(C[5a]N[5a]2)	122.2350	0.000	1	122.6649	3.730	27	122.7464	2.434	63	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){2|C<3>}	H(C[5a]N[5a]2)	122.7971	1.254	35	122.8076	1.532	36	122.7464	2.434	63	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){1|Ru<6>,2|C<3>}	H(C[5a]N[5a]2)	123.1750	0.000	1	122.8076	1.532	36	122.7464	2.434	63	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	H(C[5a]N[5a]2)	122.7015	0.093	2	122.7734	0.096	7	122.9702	1.502	180	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){3|C<3>}	H(C[5a]N[5a]2)	122.8022	0.371	5	122.7734	0.096	7	122.9702	1.502	180	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){3|C<3>}	H(C[5a]N[5a]2)	122.3487	1.296	4	122.3487	1.679	4	122.9702	1.502	180	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(C[5a]N[5a]2)	123.0088	0.268	4	123.0149	1.471	122	122.9702	1.502	180	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	H(C[5a]N[5a]2)	119.2960	0.000	1	123.0149	1.471	122	122.9702	1.502	180	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,2|N<2>}	H(C[5a]N[5a]2)	122.7630	0.000	1	123.0149	1.471	122	122.9702	1.502	180	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,2|N<2>}	H(C[5a]N[5a]2)	122.6850	0.000	1	123.0149	1.471	122	122.9702	1.502	180	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|N<2>}	H(C[5a]N[5a]2)	122.9060	0.000	1	123.0149	1.471	122	122.9702	1.502	180	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,2|N<2>}	H(C[5a]N[5a]2)	122.2924	2.149	9	123.0149	1.471	122	122.9702	1.502	180	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>,1|O<1>}	H(C[5a]N[5a]2)	123.2330	0.013	2	123.0149	1.471	122	122.9702	1.502	180	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|O<1>,2|N<3>}	H(C[5a]N[5a]2)	123.1573	0.895	69	123.0149	1.471	122	122.9702	1.502	180	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	H(C[5a]N[5a]2)	122.7750	0.000	1	123.0149	1.471	122	122.9702	1.502	180	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,2|C<3>}	H(C[5a]N[5a]2)	122.8530	0.114	3	123.0149	1.471	122	122.9702	1.502	180	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|F<1>,2|C<3>}	H(C[5a]N[5a]2)	123.0530	0.272	2	123.0149	1.471	122	122.9702	1.502	180	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	123.0619	1.561	28	123.0149	1.471	122	122.9702	1.502	180	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(H){2|C<3>}	H(C[5a]N[5a]2)	122.9366	1.344	47	122.9366	1.806	47	122.9702	1.502	180	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	H(C[5a]N[5a]2)	123.7470	0.000	1	123.8340	0.057	3	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(H){3|C<3>}	H(C[5a]N[5a]2)	123.8775	0.319	2	123.8340	0.057	3	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<2>,1|N<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|N<3>}	H(C[5a]N[5a]2)	123.4970	0.000	1	123.7625	0.545	29	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	H(C[5a]N[5a]2)	123.7784	0.403	5	123.7625	0.545	29	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	H(C[5a]N[5a]2)	123.1143	1.160	3	123.7625	0.545	29	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|N<3>}	H(C[5a]N[5a]2)	123.6340	0.000	1	123.7625	0.545	29	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>}	H(C[5a]N[5a]2)	124.1600	0.105	5	123.7625	0.545	29	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>}	H(C[5a]N[5a]2)	123.5569	0.812	11	123.7625	0.545	29	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<4>}	H(C[5a]N[5a]2)	124.6067	0.518	3	123.7625	0.545	29	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){3|C<3>}	H(C[5a]N[5a]2)	123.3016	0.780	5	123.3016	0.609	5	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<2>}	H(C[5a]N[5a]2)	126.2080	0.000	1	124.1201	2.880	60	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	H(C[5a]N[5a]2)	123.5505	1.118	11	124.1201	2.880	60	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>}	H(C[5a]N[5a]2)	123.4942	1.015	19	124.1201	2.880	60	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>}	H(C[5a]N[5a]2)	124.6743	2.023	29	124.1201	2.880	60	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[5a]N[5a]H)(H){1|H<1>}	H(C[5a]N[5a]2)	124.4460	0.000	1	124.4460	0.000	1	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H){1|C<3>}	H(C[5a]N[5a]2)	123.6440	0.000	1	122.7687	2.814	4	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H){1|O<2>}	H(C[5a]N[5a]2)	124.6970	0.000	1	122.7687	2.814	4	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(H){1|N<3>}	H(C[5a]N[5a]2)	121.3670	0.165	2	122.7687	2.814	4	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(H){1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(H){1|N<3>}	H(C[5a]N[5a]2)	125.4760	0.000	1	125.4760	0.000	1	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(H){1|N<2>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(H)	H(C[5a]N[5a]2)	124.1618	1.322	5	124.1618	1.747	5	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(H){1|C<3>}	H(C[5a]N[5a]2)	123.5370	0.000	1	123.5370	0.000	1	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:1:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2(H)	H(C[5a]N[5a]2)	124.5890	3.326	2	124.5890	11.064	2	123.9536	2.077	111	123.2387	2.071	355	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	123.5690	0.000	1	123.5690	0.000	1	123.5690	0.000	1	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC){1|H<1>}	H(C[5a]N[5a]2)	125.3135	1.815	2	125.3135	3.295	2	125.3135	3.295	2	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NC)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NC)	H(C[5a]N[5a]2)	123.7438	1.490	4	123.7438	2.219	4	124.5519	1.806	61	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(NN)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(NN){1|H<1>}	H(C[5a]N[5a]2)	124.8897	0.255	3	124.8897	0.065	3	124.5519	1.806	61	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(NC)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2(NC)	H(C[5a]N[5a]2)	124.5474	1.421	48	124.5474	2.018	48	124.5519	1.806	61	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(NC[5])	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2(NC[5])	H(C[5a]N[5a]2)	124.5350	0.061	2	124.5350	0.004	2	124.5519	1.806	61	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(NN)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2(NN)	H(C[5a]N[5a]2)	125.1693	0.869	4	125.1693	0.756	4	124.5519	1.806	61	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[5a]N[5a]2)	124.5870	0.000	1	124.5870	0.000	1	124.6785	0.100	11	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|S<2>}	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5a]N[5a]2)	124.6076	0.313	5	124.6267	0.082	9	124.6785	0.100	11	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|S<2>}	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	H(C[5a]N[5a]2)	124.6505	0.294	4	124.6267	0.082	9	124.6785	0.100	11	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]N[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]N[5a]){3|C<3>}	H(C[5a]N[5a]2)	125.2370	0.000	1	125.2370	0.000	1	124.6785	0.100	11	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:	C[5a](N[5a]C[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(OH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]O)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(OH){1|H<1>}	H(C[5a]N[5a]2)	126.0335	1.302	2	126.0335	1.695	2	126.0335	1.695	2	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,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>}	H(C[5a]N[5a]2)	124.6335	0.090	2	124.5878	0.217	54	124.6885	1.103	80	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|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>}	H(C[5a]N[5a]2)	124.4640	0.236	6	124.5878	0.217	54	124.6885	1.103	80	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	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>}	H(C[5a]N[5a]2)	124.6910	0.124	2	124.5878	0.217	54	124.6885	1.103	80	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,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>}	H(C[5a]N[5a]2)	125.0290	0.201	2	124.5878	0.217	54	124.6885	1.103	80	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|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<2>}	H(C[5a]N[5a]2)	124.6620	0.000	1	124.5878	0.217	54	124.6885	1.103	80	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|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>}	H(C[5a]N[5a]2)	124.8704	0.280	14	124.5878	0.217	54	124.6885	1.103	80	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,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>}	H(C[5a]N[5a]2)	124.3880	0.595	22	124.5878	0.217	54	124.6885	1.103	80	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,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>}	H(C[5a]N[5a]2)	124.3545	0.163	2	124.5878	0.217	54	124.6885	1.103	80	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	H(C[5a]N[5a]2)	124.7190	0.142	3	124.5878	0.217	54	124.6885	1.103	80	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){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>}	H(C[5a]N[5a]2)	125.0810	0.000	1	124.8975	2.957	26	124.6885	1.103	80	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){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>}	H(C[5a]N[5a]2)	125.1160	0.216	3	124.8975	2.957	26	124.6885	1.103	80	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){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>}	H(C[5a]N[5a]2)	126.2620	0.886	3	124.8975	2.957	26	124.6885	1.103	80	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	H(C[5a]N[5a]2)	122.6770	0.000	1	124.8975	2.957	26	124.6885	1.103	80	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	H(C[5a]N[5a]2)	123.0240	0.000	1	124.8975	2.957	26	124.6885	1.103	80	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){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>}	H(C[5a]N[5a]2)	124.8482	1.904	17	124.8975	2.957	26	124.6885	1.103	80	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|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>}	H(C[5a]N[5a]2)	124.1680	0.000	1	124.1680	0.000	1	124.3500	0.957	8	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[5a]N[5a]2)	124.2905	1.127	6	124.2905	1.271	6	124.3500	0.957	8	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a]O[6a])(C[5a]N[5a]H)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[6a]C[6a]O[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[5a]N[5a]2)	124.8890	0.000	1	124.8890	0.000	1	124.3500	0.957	8	124.6380	1.314	165	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5,5a]C[6a])(N[5a]C[5,5a])(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5,5a]C[6a])(N[5a]C[5,5a])(H){4|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>}	H(C[5a]N[5a]2)	123.1710	0.000	1	123.1710	0.000	1	123.1710	0.000	1	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<2>,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>}	H(C[5a]N[5a]2)	122.0580	0.000	1	123.6230	4.898	2	123.6230	4.898	2	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<3>,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>}	H(C[5a]N[5a]2)	125.1880	0.000	1	123.6230	4.898	2	123.6230	4.898	2	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	123.4060	0.000	1	123.4060	0.000	1	122.7406	0.602	14	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	122.9940	0.204	2	122.9940	0.041	2	122.7406	0.602	14	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	123.1060	0.000	1	123.1060	0.000	1	122.7406	0.602	14	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]O)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]O){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	123.0290	0.000	1	123.0290	0.000	1	122.7406	0.602	14	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	123.4990	0.000	1	123.4990	0.000	1	122.7406	0.602	14	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNN)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNN){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	122.8390	0.054	2	122.8390	0.003	2	122.7406	0.602	14	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCO){2|C<3>}	H(C[5a]N[5a]2)	122.8852	0.060	4	122.8852	0.004	4	122.7406	0.602	14	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(COO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(COO){2|C<3>}	H(C[5a]N[5a]2)	121.0605	0.810	2	121.0605	0.656	2	122.7406	0.602	14	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[5a]N[5a]2)	122.9745	0.091	2	122.9745	0.008	2	122.9505	0.017	4	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6]C[5a])(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(H){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6]C[5a])(C[5a]N[5a]H){1|B<4>,2|H<1>,4|C<3>}	H(C[5a]N[5a]2)	122.9265	0.203	2	122.9265	0.041	2	122.9505	0.017	4	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|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>}	H(C[5a]N[5a]2)	123.6335	0.346	2	123.6335	0.120	2	122.8624	0.240	27	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|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>}	H(C[5a]N[5a]2)	122.8290	0.000	1	122.8132	0.261	19	122.8624	0.240	27	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|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>}	H(C[5a]N[5a]2)	123.1360	0.000	1	122.8132	0.261	19	122.8624	0.240	27	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){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>}	H(C[5a]N[5a]2)	122.7760	0.000	2	122.8132	0.261	19	122.8624	0.240	27	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){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>}	H(C[5a]N[5a]2)	122.8800	0.000	1	122.8132	0.261	19	122.8624	0.240	27	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){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>}	H(C[5a]N[5a]2)	122.7895	0.593	14	122.8132	0.261	19	122.8624	0.240	27	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,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>}	H(C[5a]N[5a]2)	122.7615	0.163	6	122.7615	0.027	6	122.8624	0.240	27	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){4|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>}	H(C[5a]N[5a]2)	122.8910	0.091	2	122.8910	0.008	2	122.8307	0.015	3	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(H){1|N<2>,3|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>}	H(C[5a]N[5a]2)	122.7100	0.000	1	122.7100	0.000	1	122.8307	0.015	3	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CNN)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CNN){1|C<4>}	H(C[5a]N[5a]2)	124.0365	0.141	2	124.0365	0.020	2	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CNN)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CNN){3|C<3>}	H(C[5a]N[5a]2)	123.7987	0.110	4	123.7987	0.012	4	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCC)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCC){1|N<3>}	H(C[5a]N[5a]2)	123.5890	0.554	5	123.7273	0.267	7	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCC)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCC){1|H<1>}	H(C[5a]N[5a]2)	124.0730	0.191	2	123.7273	0.267	7	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCF)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCF){1|H<1>}	H(C[5a]N[5a]2)	123.9230	0.000	1	123.9230	0.000	1	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCN)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCN){1|H<1>}	H(C[5a]N[5a]2)	123.9430	0.033	2	123.9430	0.001	2	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCO){1|H<1>}	H(C[5a]N[5a]2)	122.7030	1.319	2	122.7030	1.741	2	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[3]C)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[3]C){1|H<1>}	H(C[5a]N[5a]2)	123.9370	0.000	1	123.9370	0.000	1	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]C)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]C){1|H<1>}	H(C[5a]N[5a]2)	123.4035	0.416	2	123.4035	0.173	2	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O){1|H<1>}	H(C[5a]N[5a]2)	123.9840	0.236	2	123.9840	0.056	2	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CNN)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CNN){1|H<1>}	H(C[5a]N[5a]2)	123.8558	0.160	5	123.8558	0.026	5	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CNO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CNO){1|H<1>}	H(C[5a]N[5a]2)	123.7990	0.000	1	123.7990	0.000	1	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]C)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]C){1|H<1>}	H(C[5a]N[5a]2)	128.0980	0.000	1	128.0980	0.000	1	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[6]O)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[6]O){1|H<1>}	H(C[5a]N[5a]2)	123.7520	0.000	1	123.7520	0.000	1	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO){1|C<3>}	H(C[5a]N[5a]2)	123.6990	0.000	1	123.9033	0.030	6	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO){1|C<4>}	H(C[5a]N[5a]2)	123.9570	0.000	1	123.9033	0.030	6	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO){1|H<1>}	H(C[5a]N[5a]2)	123.9410	0.181	4	123.9033	0.030	6	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COS)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COS){1|H<1>}	H(C[5a]N[5a]2)	124.0700	0.000	1	124.0700	0.000	1	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CCH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CCH){1|C<3>}	H(C[5a]N[5a]2)	127.9780	0.000	1	127.9780	0.000	1	123.9918	1.093	39	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(C[5]N[5]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[5])(N[5a]N[5a])(H){1|H<1>,2|N<2>}	N[5a](C[5a]N[5a]H)2(C[5]N[5]2){2|N<2>}	H(C[5a]N[5a]2)	124.3937	0.559	4	124.3937	0.312	4	124.3937	0.312	4	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|Br<1>,1|C<3>,1|S<2>,2|H<1>}	H(C[5a]N[5a]2)	124.3080	0.000	1	124.1240	0.068	2	123.4708	1.579	26	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	H(C[5a]N[5a]2)	123.9400	0.000	1	124.1240	0.068	2	123.4708	1.579	26	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H){1|C<3>,1|S<2>,2|H<1>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5a]N[5a]2)	124.0170	0.000	1	123.3884	1.380	17	123.4708	1.579	26	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H){1|C<3>,1|S<2>,2|H<1>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	H(C[5a]N[5a]2)	123.3491	1.202	16	123.3884	1.380	17	123.4708	1.579	26	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(H){1|N<2>,1|S<2>,2|H<1>}	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	120.4120	0.000	1	120.4120	0.000	1	123.4708	1.579	26	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)2	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]2)(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)2{1|N<2>,1|N<3>,2|C<4>}	H(C[5a]N[5a]2)	122.8510	1.188	2	122.8510	1.411	2	123.4708	1.579	26	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)2	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]2)(N[5a]N[5a])(H){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)2{1|N<2>,3|C<3>}	H(C[5a]N[5a]2)	124.5280	0.049	2	124.5280	0.002	2	123.4708	1.579	26	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]2)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)2	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]2)(N[5a]N[5a])(H){1|H<1>,2|N<2>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)2{1|C<3>,1|N<3>}	H(C[5a]N[5a]2)	124.6100	0.004	2	124.6100	0.000	2	123.4708	1.579	26	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]C[6]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H){1|C<2>,1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]C[6]2){1|C<2>,1|C<3>,2|H<1>}	H(C[5a]N[5a]2)	125.7240	0.000	1	125.7240	0.000	1	124.4992	0.390	6	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]N[6]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H){2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>}	H(C[5a]N[5a]2)	124.0370	0.000	1	124.0370	0.000	1	124.4992	0.390	6	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(C[6]C[6]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)2(C[6]C[6]2){1|C<3>,1|N<3>,2|H<1>}	H(C[5a]N[5a]2)	124.3085	0.175	4	124.3085	0.031	4	124.4992	0.390	6	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|S<4>,2|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>}	H(C[5a]N[5a]2)	123.3360	0.000	1	123.3360	0.000	1	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){4|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>}	H(C[5a]N[5a]2)	123.5380	0.000	1	123.5380	0.000	1	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|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>}	H(C[5a]N[5a]2)	123.0770	0.000	1	124.1503	1.839	74	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|S<4>,2|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>}	H(C[5a]N[5a]2)	117.0050	0.000	1	124.1503	1.839	74	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){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>}	H(C[5a]N[5a]2)	123.4895	0.107	2	124.1503	1.839	74	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	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>}	H(C[5a]N[5a]2)	123.6170	0.312	3	124.1503	1.839	74	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	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>}	H(C[5a]N[5a]2)	123.7350	0.330	2	124.1503	1.839	74	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	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>}	H(C[5a]N[5a]2)	126.2600	0.137	3	124.1503	1.839	74	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	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>}	H(C[5a]N[5a]2)	124.1710	0.000	1	124.1503	1.839	74	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	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>}	H(C[5a]N[5a]2)	123.6220	0.000	1	124.1503	1.839	74	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	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>}	H(C[5a]N[5a]2)	124.1423	0.473	4	124.1503	1.839	74	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|H<1>}	H(C[5a]N[5a]2)	124.2685	1.093	55	124.1503	1.839	74	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){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>}	H(C[5a]N[5a]2)	123.8290	0.000	1	124.1503	1.839	74	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	123.8060	0.000	1	124.1661	0.108	9	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	124.2111	0.321	8	124.1661	0.108	9	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,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>}	H(C[5a]N[5a]2)	124.1680	0.000	1	124.0517	0.094	4	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,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>}	H(C[5a]N[5a]2)	123.6630	0.000	1	124.0517	0.094	4	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(C[6a]C[6a]2){2|C<3>,3|N<3>}	H(C[5a]N[5a]2)	124.1880	0.284	2	124.0517	0.094	4	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,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>}	H(C[5a]N[5a]2)	123.6790	0.000	1	123.6790	0.000	1	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){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>}	H(C[5a]N[5a]2)	124.0470	0.000	1	124.0470	0.000	1	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<4>,2|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>}	H(C[5a]N[5a]2)	122.2260	0.000	1	123.8588	1.200	4	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<4>,2|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>}	H(C[5a]N[5a]2)	124.4030	0.150	3	123.8588	1.200	4	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,2|C<3>}	H(C[5a]N[5a]2)	124.2095	0.165	2	124.2160	0.402	42	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)2(C[6a]C[6a]2){2|C<3>,2|H<1>}	H(C[5a]N[5a]2)	124.2163	0.650	40	124.2160	0.402	42	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(C[6a]N[6a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|N<2>}	N[5a](C[5a]N[5a]H)2(C[6a]N[6a]2){2|C<3>}	H(C[5a]N[5a]2)	124.4805	0.028	2	124.4805	0.001	2	124.1503	1.142	139	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NCH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(H){1|C<2>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NCH){1|C<2>}	H(C[5a]N[5a]2)	122.9820	0.000	1	123.5590	0.666	2	124.3408	1.316	45	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NCH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NCH){1|N<3>}	H(C[5a]N[5a]2)	124.1360	0.000	1	123.5590	0.666	2	124.3408	1.316	45	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(NC[6a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(NC[6a]H){1|C<3>,1|N<2>}	H(C[5a]N[5a]2)	122.4940	0.000	1	122.4940	0.000	1	124.3408	1.316	45	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(NHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]H)(NHH){1|C<3>,1|N<2>}	H(C[5a]N[5a]2)	124.7140	0.000	1	124.7140	0.000	1	124.3408	1.316	45	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(NHH)	H(C[5a]N[5a]2)	124.5978	1.626	4	124.5978	2.645	4	124.3408	1.316	45	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(NHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(NHH){1|C<4>}	H(C[5a]N[5a]2)	124.0950	0.000	1	124.0950	0.000	1	124.3408	1.316	45	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(NCH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2(NCH)	H(C[5a]N[5a]2)	124.1268	1.215	22	124.1268	1.476	22	124.3408	1.316	45	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(NHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2(NHH)	H(C[5a]N[5a]2)	124.8262	0.886	12	124.8262	0.785	12	124.3408	1.316	45	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(NNiC)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2(NNiC)	H(C[5a]N[5a]2)	124.9110	0.317	2	124.9110	0.100	2	124.3408	1.316	45	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:	C[5a](N[5a]C[5a]N[5])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(N[5]C[5]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N[5])(N[5a]N[5a])(H){1|H<1>,2|C<4>}	N[5a](C[5a]N[5a]H)2(N[5]C[5]2){2|C<3>,2|C<4>,2|H<1>}	H(C[5a]N[5a]2)	124.7897	0.113	4	124.7897	0.013	4	124.7897	0.013	4	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(N[5a]C[5a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)2(N[5a]C[5a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	H(C[5a]N[5a]2)	125.1510	0.131	3	123.9873	2.052	6	123.9873	2.052	6	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(N[5a]C[5a]2)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a]H)2(N[5a]C[5a]2){2|C<3>,2|H<1>}	H(C[5a]N[5a]2)	122.8237	1.025	3	123.9873	2.052	6	123.9873	2.052	6	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,3|H<1>}	H(C[5a]N[5a]2)	123.7360	0.000	1	123.7360	0.000	1	123.7360	0.000	1	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<2>,3|C<3>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|N<2>,5|C<3>}	H(C[5a]N[5a]2)	124.1300	0.000	1	124.1300	0.000	1	124.2680	0.518	51	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[5a]N[5a]2)	124.5670	0.000	1	124.5670	0.000	1	124.2680	0.518	51	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|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>}	H(C[5a]N[5a]2)	123.9515	0.124	8	123.9515	0.015	8	124.2680	0.518	51	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,4|C<3>}	H(C[5a]N[5a]2)	123.9635	0.032	2	123.9635	0.001	2	124.2680	0.518	51	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	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>}	H(C[5a]N[5a]2)	123.4485	0.142	2	123.4485	0.020	2	124.2680	0.518	51	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|H<1>}	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>}	H(C[5a]N[5a]2)	123.8250	0.202	2	123.0782	4.535	4	124.2680	0.518	51	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	H(C[5a]N[5a]2)	122.3315	3.367	2	123.0782	4.535	4	124.2680	0.518	51	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H)2	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]N[5a]H)2{1|N<2>,2|C<3>}	H(C[5a]N[5a]2)	124.6710	0.152	4	124.6710	0.023	4	124.2680	0.518	51	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)2	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)2{1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	124.5358	0.213	29	124.5358	0.045	29	124.2680	0.518	51	123.9612	1.199	372	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]3){1|C<3>,1|H<1>,2|C<4>}	H(C[5a]N[5a]2)	123.1560	0.000	1	123.1560	0.000	1	123.0188	0.614	37	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	H(C[5a]N[5a]2)	123.5527	0.176	3	123.5527	0.031	3	123.0188	0.614	37	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]3){2|C<4>,2|H<1>}	H(C[5a]N[5a]2)	123.5263	0.175	3	123.5263	0.030	3	123.0188	0.614	37	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	H(C[5a]N[5a]2)	123.6380	0.000	1	123.6380	0.000	1	123.0188	0.614	37	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|N<3>,2|N<2>}	H(C[5a]N[5a]2)	118.9820	0.000	1	121.7013	5.546	3	123.0188	0.614	37	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	H(C[5a]N[5a]2)	123.0610	0.021	2	121.7013	5.546	3	123.0188	0.614	37	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCCH){2|C<3>}	H(C[5a]N[5a]2)	122.9473	0.523	3	122.9473	0.273	3	123.0188	0.614	37	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(C[5a]N[5a]2)	123.2304	0.216	12	123.1230	0.094	20	123.0188	0.614	37	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Cd<6>,2|C<3>}	H(C[5a]N[5a]2)	122.4175	0.161	2	123.1230	0.094	20	123.0188	0.614	37	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Co<5>,2|C<3>}	H(C[5a]N[5a]2)	122.9510	0.000	1	123.1230	0.094	20	123.0188	0.614	37	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Pd<4>,2|C<3>}	H(C[5a]N[5a]2)	123.2420	0.056	3	123.1230	0.094	20	123.0188	0.614	37	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Pt<4>,2|C<3>}	H(C[5a]N[5a]2)	122.9730	0.000	1	123.1230	0.094	20	123.0188	0.614	37	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CCHH){1|Rh<6>,2|C<3>}	H(C[5a]N[5a]2)	123.2100	0.000	1	123.1230	0.094	20	123.0188	0.614	37	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	H(C[5a]N[5a]2)	122.4150	0.000	1	122.4150	0.000	1	123.0188	0.614	37	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH){1|O<1>,2|C<3>}	H(C[5a]N[5a]2)	122.4940	0.000	1	122.4940	0.000	1	123.0188	0.614	37	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3){2|C<3>}	H(C[5a]N[5a]2)	122.3510	0.000	1	122.3510	0.000	1	123.0188	0.614	37	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]S)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(SNOO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]S)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(SNOO){1|C<3>,1|H<1>,2|C<4>}	H(C[5a]N[5a]2)	122.3710	4.729	3	122.3710	22.362	3	122.3710	22.362	3	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(CH3){3|C<3>}	H(C[5a]N[5a]2)	122.8240	0.000	1	122.8240	0.000	1	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	H(C[5a]N[5a]2)	122.7627	0.523	6	122.7627	0.273	6	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CC[6a]HH){3|C<3>}	H(C[5a]N[5a]2)	123.0135	0.192	4	123.0135	0.037	4	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CH3){3|C<3>}	H(C[5a]N[5a]2)	123.1410	0.000	1	123.1410	0.000	1	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|Cl<1>,2|N<2>}	H(C[5a]N[5a]2)	122.3380	0.000	1	121.9698	1.348	4	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	121.8470	1.390	3	121.9698	1.348	4	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Cl<1>,2|N<2>}	H(C[5a]N[5a]2)	116.4960	0.000	1	121.8966	3.154	48	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|O<1>}	H(C[5a]N[5a]2)	122.9870	0.000	1	121.8966	3.154	48	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<3>,2|N<2>}	H(C[5a]N[5a]2)	122.6300	0.000	1	121.8966	3.154	48	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<2>,2|N<2>}	H(C[5a]N[5a]2)	118.2910	0.000	1	121.8966	3.154	48	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|O<1>}	H(C[5a]N[5a]2)	124.2240	0.000	1	121.8966	3.154	48	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<1>,2|N<3>}	H(C[5a]N[5a]2)	123.0450	0.205	4	121.8966	3.154	48	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	121.9033	1.569	39	121.8966	3.154	48	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	123.1360	0.000	1	123.1360	0.000	1	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO){1|O<1>,2|N<3>}	H(C[5a]N[5a]2)	123.0125	0.357	2	123.0125	0.128	2	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HH){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	122.6460	0.102	2	122.6460	0.010	2	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[4]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[4]HH){1|Cl<1>,2|N<2>}	H(C[5a]N[5a]2)	122.5290	0.000	1	122.5290	0.000	1	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|N<2>,1|N<3>,1|O<1>}	H(C[5a]N[5a]2)	122.6530	0.000	1	123.1066	0.123	8	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|O<1>,2|N<3>}	H(C[5a]N[5a]2)	123.3872	0.213	4	123.1066	0.123	8	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	122.8837	0.162	3	123.1066	0.123	8	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	119.0800	0.000	1	119.0800	0.000	1	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	122.7310	0.000	1	122.7310	0.000	1	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|C<2>,2|N<2>}	H(C[5a]N[5a]2)	122.4780	0.123	2	122.9706	0.622	43	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|Cl<1>,2|N<2>}	H(C[5a]N[5a]2)	122.6230	0.000	1	122.9706	0.622	43	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|I<1>,2|N<2>}	H(C[5a]N[5a]2)	122.5100	0.000	1	122.9706	0.622	43	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|O<1>,2|N<3>}	H(C[5a]N[5a]2)	122.9820	0.000	1	122.9706	0.622	43	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|Cl<1>,2|C<3>}	H(C[5a]N[5a]2)	122.6630	0.000	1	122.9706	0.622	43	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	123.0271	0.834	37	122.9706	0.622	43	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<2>,2|N<2>}	H(C[5a]N[5a]2)	122.6130	0.143	2	122.8553	0.954	126	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<2>,2|N<2>}	H(C[5a]N[5a]2)	122.6570	0.000	1	122.8553	0.954	126	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	H(C[5a]N[5a]2)	122.8765	1.028	113	122.8553	0.954	126	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	122.6847	0.214	10	122.8553	0.954	126	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	123.0240	0.000	1	123.0240	0.000	1	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]HH){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	122.8450	0.000	1	122.8450	0.000	1	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	121.8060	2.375	5	121.8060	5.639	5	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CB[5,5]HH){2|C<3>}	H(C[5a]N[5a]2)	122.8120	0.143	2	122.8120	0.020	2	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC3){2|C<3>}	H(C[5a]N[5a]2)	122.7540	0.078	2	122.7540	0.006	2	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCCH){2|C<3>}	H(C[5a]N[5a]2)	122.8915	0.255	26	122.8915	0.065	26	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CCHH){2|C<3>}	H(C[5a]N[5a]2)	122.6975	0.812	55	122.6975	0.659	55	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[5]HH){2|C<3>}	H(C[5a]N[5a]2)	123.1026	0.260	5	123.1026	0.068	5	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6]HH){2|C<3>}	H(C[5a]N[5a]2)	122.9339	0.195	7	122.9339	0.038	7	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CC[6a]HH){2|C<3>}	H(C[5a]N[5a]2)	122.4565	0.860	24	122.4565	0.739	24	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){2|C<3>}	H(C[5a]N[5a]2)	122.5485	0.834	8	122.5485	0.695	8	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CHHO){2|C<3>}	H(C[5a]N[5a]2)	122.7069	1.432	8	122.7069	2.049	8	122.6750	1.171	393	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]S[5]2H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|H<1>,2|C<3>,2|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]S[5]2H){1|H<1>,2|C<3>,2|C<4>}	H(C[5a]N[5a]2)	122.8180	0.000	1	122.8180	0.000	1	122.8577	0.188	18	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5a]N[5a]2)	123.2100	0.000	1	122.8900	0.205	2	122.8577	0.188	18	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2C){2|C<4>,3|C<3>,3|H<1>}	H(C[5a]N[5a]2)	122.5700	0.000	1	122.8900	0.205	2	122.8577	0.188	18	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[5a]N[5a]2)	123.0790	0.000	1	122.8560	0.213	15	122.8577	0.188	18	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[5a]N[5a]2)	122.9050	0.000	1	122.8560	0.213	15	122.8577	0.188	18	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[5a]N[5a]2)	122.2010	0.000	1	122.8560	0.213	15	122.8577	0.188	18	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[5a]N[5a]2)	123.0560	0.000	1	122.8560	0.213	15	122.8577	0.188	18	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	H(C[5a]N[5a]2)	123.3460	0.076	2	122.8560	0.213	15	122.8577	0.188	18	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5a]N[5a]2)	122.5330	0.109	2	122.8560	0.213	15	122.8577	0.188	18	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){4|C<3>,4|H<1>}	H(C[5a]N[5a]2)	122.4630	0.136	2	122.8560	0.213	15	122.8577	0.188	18	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5a]N[5a]2)	123.2300	0.000	1	122.8560	0.213	15	122.8577	0.188	18	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[5a]N[5a]2)	122.4610	0.638	2	122.8560	0.213	15	122.8577	0.188	18	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[5]C[5]2H){2|C<4>,2|H<1>,3|C<3>}	H(C[5a]N[5a]2)	123.3815	0.118	2	122.8560	0.213	15	122.8577	0.188	18	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6]C[6]2H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]N[5a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[5a]N[5a]2)	123.0260	0.000	1	123.0260	0.000	1	123.0260	0.000	1	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:P[6]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]P[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(P[6]N[6]2O)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]P[6])(N[5a]C[5a,6a])(H){1|O<2>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(P[6]N[6]2O){1|H<1>,2|C<3>,2|P<4>}	H(C[5a]N[5a]2)	122.7802	0.093	4	122.7802	0.009	4	122.7802	0.009	4	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	123.2475	0.177	2	123.2475	0.032	2	123.1345	0.031	4	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(SC[6a]OO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(SC[6a]OO){2|C<3>}	H(C[5a]N[5a]2)	123.0215	0.105	2	123.0215	0.011	2	123.1345	0.031	4	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:B-4:	C[5a]-3:	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(BN[5a]3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(BN[5a]3){1|C<4>}	H(C[5a]N[5a]2)	122.8956	1.351	8	122.8956	1.825	8	122.8956	1.825	8	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CCHH){1|H<1>,1|N<2>,1|O<2>}	H(C[5a]N[5a]2)	123.5350	0.000	1	123.5350	0.000	1	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|N<2>,1|O<2>}	H(C[5a]N[5a]2)	123.3120	0.000	1	123.3120	0.000	1	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]N[5a]H)(CH3){3|C<3>}	H(C[5a]N[5a]2)	123.0620	0.000	1	123.0620	0.000	1	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|Br<1>}	N[5a](C[5a]C[5a]Br)(C[5a]N[5a]H)(CH3){1|Br<1>}	H(C[5a]N[5a]2)	123.7575	0.144	2	123.7575	0.021	2	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<2>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CCHH){1|C<2>}	H(C[5a]N[5a]2)	123.4890	0.000	1	123.4890	0.000	1	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[5a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	H(C[5a]N[5a]2)	123.6220	0.000	1	123.6220	0.000	1	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CC[6a]HH){1|C<3>}	H(C[5a]N[5a]2)	123.4850	0.000	1	123.4850	0.000	1	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|H<1>}	H(C[5a]N[5a]2)	123.8275	0.120	4	123.3667	0.321	14	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<2>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<2>}	H(C[5a]N[5a]2)	123.1680	0.330	6	123.3667	0.321	14	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CH3){1|C<3>}	H(C[5a]N[5a]2)	123.2040	0.894	4	123.3667	0.321	14	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<3>,2|C<3>}	H(C[5a]N[5a]2)	123.5810	0.051	2	123.7726	0.050	5	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	H(C[5a]N[5a]2)	123.9003	0.194	3	123.7726	0.050	5	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6]HH){3|C<3>}	H(C[5a]N[5a]2)	123.3120	0.000	1	123.3120	0.000	1	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	123.5120	0.000	1	123.5120	0.000	1	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	123.5740	0.000	1	123.5360	0.003	2	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){3|C<3>}	H(C[5a]N[5a]2)	123.4980	0.000	1	123.5360	0.003	2	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(CN[5]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|Cl<1>}	N[5a](C[5a]C[5a]Cl)(C[5a]N[5a]H)(CN[5]HH){1|Cl<1>}	H(C[5a]N[5a]2)	123.6435	0.056	2	123.6435	0.003	2	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|C<4>}	H(C[5a]N[5a]2)	123.8110	0.000	2	124.6860	1.351	7	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|H<1>}	H(C[5a]N[5a]2)	125.0360	1.221	5	124.6860	1.351	7	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|N<3>}	H(C[5a]N[5a]2)	123.7912	0.247	4	124.3088	1.763	95	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	H(C[5a]N[5a]2)	124.3316	1.351	91	124.3088	1.763	95	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN){1|H<1>}	H(C[5a]N[5a]2)	123.1920	0.000	1	123.1920	0.000	1	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[4,6]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[4,6]HH){1|H<1>}	H(C[5a]N[5a]2)	123.9350	0.055	2	123.9350	0.003	2	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH){1|H<1>}	H(C[5a]N[5a]2)	123.9042	0.582	6	123.9042	0.339	6	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	H(C[5a]N[5a]2)	122.8827	1.657	6	122.8827	2.745	6	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H){1|H<1>}	H(C[5a]N[5a]2)	123.9950	0.141	3	123.9950	0.020	3	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|C<3>}	H(C[5a]N[5a]2)	123.2370	0.000	1	123.6214	1.458	8	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|C<4>}	H(C[5a]N[5a]2)	124.4470	0.439	4	123.6214	1.458	8	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|Cl<1>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|Cl<1>}	H(C[5a]N[5a]2)	123.1820	0.000	1	123.6214	1.458	8	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|H<1>}	H(C[5a]N[5a]2)	122.3820	1.868	2	123.6214	1.458	8	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]CH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]CH){1|H<1>}	H(C[5a]N[5a]2)	123.6790	0.000	1	123.6790	0.000	1	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>}	H(C[5a]N[5a]2)	125.3055	2.220	2	123.3452	4.827	71	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|I<1>}	H(C[5a]N[5a]2)	123.6610	0.000	1	123.3452	4.827	71	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	H(C[5a]N[5a]2)	123.2829	2.202	68	123.3452	4.827	71	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3){1|N<2>}	H(C[5a]N[5a]2)	123.5720	0.000	1	124.8607	3.099	9	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3){1|H<1>}	H(C[5a]N[5a]2)	125.0217	1.810	8	124.8607	3.099	9	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHHO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHHO){1|H<1>}	H(C[5a]N[5a]2)	124.7490	1.434	2	124.7490	2.056	2	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5]HH){1|H<1>}	H(C[5a]N[5a]2)	123.7560	0.000	1	123.7560	0.000	1	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH){1|H<1>}	H(C[5a]N[5a]2)	123.7770	0.000	1	123.7770	0.000	1	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|C<3>}	H(C[5a]N[5a]2)	123.7240	0.000	1	122.1376	4.090	8	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CCHH){1|N<3>}	H(C[5a]N[5a]2)	121.9110	2.072	7	122.1376	4.090	8	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CC[5]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CC[5]HH){1|C<3>}	H(C[5a]N[5a]2)	123.8000	0.083	4	123.8000	0.007	4	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|C<3>}	H(C[5a]N[5a]2)	120.7090	2.075	5	122.4816	12.164	8	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|H<1>}	H(C[5a]N[5a]2)	123.1900	0.000	1	122.4816	12.164	8	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|N<3>}	H(C[5a]N[5a]2)	129.5980	0.000	1	122.4816	12.164	8	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CH3){1|N<3>}	H(C[5a]N[5a]2)	123.5200	0.000	1	122.4816	12.164	8	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CHHN)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(CHHN){1|N<3>}	H(C[5a]N[5a]2)	118.9340	0.000	1	118.9340	0.000	1	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N[6])(C[5a]N[5a]H)(CCHH){1|N<3>,2|C<4>}	H(C[5a]N[5a]2)	119.6222	2.311	5	119.6222	5.341	5	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|P<4>}	N[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CH3){1|P<4>}	H(C[5a]N[5a]2)	123.4344	0.294	5	123.4344	0.086	5	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){1|N<3>,1|S<2>}	N[5a](C[5a]C[5a]S)(C[5a]N[5a]H)(CC[6a]HH){1|N<3>}	H(C[5a]N[5a]2)	123.3730	0.000	1	123.3730	0.000	1	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]O)(CC[6a]HH){1|C<3>}	H(C[5a]N[5a]2)	122.9695	0.851	2	122.9695	0.724	2	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|S<2>}	N[5a](C[5a]N[5a]H)(C[5a]N[5a]S)(CH3)	H(C[5a]N[5a]2)	124.6040	0.000	1	124.6040	0.000	1	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2(CCHH)	H(C[5a]N[5a]2)	124.2699	1.106	8	124.2699	1.224	8	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)2(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)2(CC[6a]HH)	H(C[5a]N[5a]2)	124.3840	0.141	4	124.3840	0.020	4	123.6998	3.186	293	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:P[6]-4:	C[5a]-3:	C[5a](N[5a]C[5a]P[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(P[6]N[6]2O)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]P[6])(N[5a]C[5a])(H){1|O<2>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(P[6]N[6]2O){1|H<1>,2|P<4>}	H(C[5a]N[5a]2)	123.6368	0.337	4	123.6368	0.113	4	123.6368	0.113	4	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SCOO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SCOO){1|N<3>}	H(C[5a]N[5a]2)	124.1830	0.000	1	124.1830	0.000	1	124.0945	0.020	21	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SC[6a]OO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SC[6a]OO){1|H<1>}	H(C[5a]N[5a]2)	124.4060	0.000	1	124.4060	0.000	1	124.0945	0.020	21	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<3>}	H(C[5a]N[5a]2)	124.0262	0.136	9	124.0686	0.019	16	124.0945	0.020	21	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<4>}	H(C[5a]N[5a]2)	124.1231	0.127	7	124.0686	0.019	16	124.0945	0.020	21	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SN[5a]OO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SN[5a]OO){1|H<1>}	H(C[5a]N[5a]2)	124.0800	0.030	2	124.0800	0.001	2	124.0945	0.020	21	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(SNOO)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]S)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(SNOO){1|H<1>}	H(C[5a]N[5a]2)	124.1370	0.000	1	124.1370	0.000	1	124.0945	0.020	21	123.1246	2.133	786	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[3]-4:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[3])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[3]C[3]2C)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C[3])(N[5a]C[5a])(H){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a]N[5a]H)(C[3]C[3]2C)(N[5a]C[5a]){5|H<1>}	H(C[5a]N[5a]2)	124.2220	0.057	2	124.2220	0.003	2	123.4670	1.712	3	123.4670	1.712	3	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[3]-4:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[3])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C[3])(N[5a]N[5a])(H){1|H<1>,2|C<4>}	N[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a]){4|H<1>}	H(C[5a]N[5a]2)	121.9570	0.000	1	121.9570	0.000	1	123.4670	1.712	3	123.4670	1.712	3	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5a]N[5a]2)	123.4460	0.000	1	123.4460	0.000	1	123.1134	0.817	10	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5a]N[5a]2)	122.6982	0.912	6	123.0764	0.903	9	123.1134	0.817	10	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5a]N[5a]2)	124.0000	0.569	2	123.0764	0.903	9	123.1134	0.817	10	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5a]N[5a]2)	123.4990	0.000	1	123.0764	0.903	9	123.1134	0.817	10	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[3x6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[3x6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[3x6])(N[5a]C[5a,6a])(H){2|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(C[5a]N[5a]H){2|C<3>,3|C<4>,7|H<1>}	H(C[5a]N[5a]2)	122.5010	0.000	1	122.5010	0.000	1	122.5010	0.000	1	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[4,5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[4,5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4,5]C[4,5]C[4]O[5])(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[4,5])(N[5a]C[5a,6a])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4,5]C[4,5]C[4]O[5])(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5a]N[5a]2)	122.9150	0.000	1	122.9150	0.000	1	122.9150	0.000	1	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5a]N[5a]2)	123.1460	0.000	1	122.8725	0.150	2	122.8725	0.150	2	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[4]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[4])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[4]C[4]O[4]H)(C[5a]N[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[5a]N[5a]2)	122.5990	0.000	1	122.8725	0.150	2	122.8725	0.150	2	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[5a]N[5a]2)	122.0680	0.171	2	122.0680	0.029	2	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5a]N[5a]2)	119.6040	0.000	1	121.7787	4.086	3	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5a]N[5a]2)	122.1320	0.000	1	121.7787	4.086	3	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5a]N[5a]2)	123.6000	0.000	1	121.7787	4.086	3	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5a]N[5a]2)	123.2945	0.039	2	123.2243	0.016	3	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[3,5]C[5]H)(C[5a]N[5a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[5a]N[5a]2)	123.0840	0.000	1	123.2243	0.016	3	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|F<1>,2|C<3>,3|C<4>}	H(C[5a]N[5a]2)	123.4820	0.000	1	123.0593	0.185	3	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[5a]N[5a]2)	123.0740	0.000	1	123.0593	0.185	3	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[4,5]O[5]H)(C[5a]N[5a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[5a]N[5a]2)	122.6220	0.000	1	123.0593	0.185	3	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5a]N[5a]2)	122.8430	0.000	1	122.8430	0.000	1	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5,5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5a]N[5a]2)	123.0140	0.000	1	123.0140	0.000	1	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5a]N[5a]2)	123.4710	0.000	1	122.8508	1.412	35	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[5a]N[5a]2)	123.5630	0.000	1	122.8508	1.412	35	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|F<1>,2|C<3>,3|C<4>}	H(C[5a]N[5a]2)	123.1440	0.000	1	122.8508	1.412	35	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[5a]N[5a]2)	123.4800	0.000	1	122.8508	1.412	35	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5a]N[5a]2)	122.7873	1.439	19	122.8508	1.412	35	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5a]N[5a]2)	122.7634	0.913	12	122.8508	1.412	35	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]Se[5]C[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,3|C<4>}	H(C[5a]N[5a]2)	122.7990	0.297	2	122.7990	0.088	2	122.7911	1.260	50	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[5a]N[5a]2)	123.4320	0.030	2	123.3447	0.023	3	122.7392	0.203	12	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[5,6]O[6]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5a]N[5a]2)	123.1700	0.000	1	123.3447	0.023	3	122.7392	0.203	12	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[5a]N[5a]2)	122.4540	0.088	2	122.4540	0.008	2	122.7392	0.203	12	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[5a]N[5a]2)	122.3903	0.369	4	122.5611	0.116	7	122.7392	0.203	12	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5a]N[5a]2)	122.7890	0.088	3	122.5611	0.116	7	122.7392	0.203	12	122.8253	0.968	76	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[5a]N[5a]2)	124.8510	0.000	1	124.8410	0.000	2	124.9670	0.021	5	124.9670	0.021	5	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5a]N[5a]2)	124.8310	0.000	1	124.8410	0.000	2	124.9670	0.021	5	124.9670	0.021	5	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:2:	3:	N[5a]-3:N[5a]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]C[5a])	H(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5a]N[5a]2)	125.0510	0.123	3	125.0510	0.015	3	124.9670	0.021	5	124.9670	0.021	5	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	B-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>}	H(C[5a]N[5a]2)	123.3870	0.274	3	122.2657	3.027	12	122.2657	3.027	12	123.0785	2.852	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	B-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]B)(N[5a]C[5a])(H){2|H<1>}	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	H(C[5a]N[5a]2)	121.8919	1.875	9	122.2657	3.027	12	122.2657	3.027	12	123.0785	2.852	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](CC[3x4,3x6]HH)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](CC[3x4,3x6]HH)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	H(C[5a]N[5a]2)	123.9250	0.044	2	123.9250	0.002	2	125.0293	3.660	3	123.0785	2.852	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	H(C[5a]N[5a]2)	127.2380	0.000	1	127.2380	0.000	1	125.0293	3.660	3	123.0785	2.852	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[3,5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[3,5]C[5a])(N[5a]C[5a])(H)	N[5a](C[3,5]C[3,5]C[5,6]O[3])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[3,5]C[5a])(N[5a]C[5a])(H){1|O<2>,2|C<4>,2|H<1>}	N[5a](C[3,5]C[3,5]C[5,6]O[3])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>,4|C<4>}	H(C[5a]N[5a]2)	123.8350	0.000	1	123.8350	0.000	1	123.8350	0.000	1	123.0785	2.852	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[3]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[3])(N[5a]C[5a])(H)	N[5a](C[3]C[3]N[3]C)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[3])(N[5a]C[5a])(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[3]C[3]N[3]C)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	H(C[5a]N[5a]2)	124.0480	0.000	1	124.0480	0.000	1	124.0480	0.000	1	123.0785	2.852	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){2|C<4>,3|H<1>}	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,2|O<2>,4|H<1>}	H(C[5a]N[5a]2)	123.7370	0.235	4	123.7370	0.055	4	123.6320	0.492	10	123.0785	2.852	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]F)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]F)(C[5a]N[5a]H){1|O<2>,2|C<4>,2|H<1>}	H(C[5a]N[5a]2)	121.7110	0.000	1	121.7110	0.000	1	123.6320	0.492	10	123.0785	2.852	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|Fe<10>,2|C<4>,2|H<1>}	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<4>,3|H<1>}	H(C[5a]N[5a]2)	123.7660	0.000	1	123.7660	0.000	1	123.6320	0.492	10	123.0785	2.852	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|O<2>,3|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<4>,3|H<1>}	H(C[5a]N[5a]2)	123.8800	0.000	1	123.8800	0.000	1	123.6320	0.492	10	123.0785	2.852	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[5a]N[5a]2)	123.9320	0.000	1	124.0050	0.014	3	123.6320	0.492	10	123.0785	2.852	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]N)(C[5a]N[5a]H){2|H<1>,3|C<4>}	H(C[5a]N[5a]2)	124.0415	0.138	2	124.0050	0.014	3	123.6320	0.492	10	123.0785	2.852	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[6,6]C[5a])(N[5a]C[5a])(H)	N[5a](C[6,6]C[3x6]2C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[6,6]C[5a])(N[5a]C[5a])(H){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[6,6]C[3x6]2C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,3|H<1>,4|C<4>}	H(C[5a]N[5a]2)	123.7900	0.000	1	123.7900	0.000	1	121.3830	4.668	3	123.0785	2.852	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[6,6]C[5a])(N[5a]C[5a])(H)	N[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[6,6]C[5a])(N[5a]C[5a])(H){2|C<4>,3|H<1>}	N[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5a]N[5a]2)	120.1795	0.804	2	120.1795	0.646	2	121.3830	4.668	3	123.0785	2.852	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	4:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]C[6])(N[5a]C[5a])(H){1|C<3>,1|O<2>,3|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[5a]N[5a]2)	123.9415	0.120	2	123.9415	0.014	2	123.9415	0.014	2	123.0785	2.852	32	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	5:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	P[5]-5:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]P[5])(N[5a]C[5a])(H)	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]P[5])(N[5a]C[5a])(H){1|N<3>,2|H<1>,3|O<2>}	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[5a]N[5a]2)	123.4410	0.624	2	123.4410	0.389	2	123.4410	0.389	2	123.4410	0.389	2	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:2:1:	6:3:3:	3:	N[5a]-3:N[5a]-2:H-1:	B[5x3,5x5,20x6]-6:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(N[5a]C[5a,6a])(H)	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(N[5a]C[5a,6a])(H){1|C<6>,2|C<3>,4|B<6>}	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<6>,2|C<3>,4|B<6>,6|H<1>}	H(C[5a]N[5a]2)	122.2530	0.000	1	122.2530	0.000	1	122.2530	0.000	1	122.2530	0.000	1	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(H)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(H){1|C<3>,1|C<4>}	H(C[5a]C[5,5a]N[5a])	127.3080	0.000	1	127.3080	0.000	1	127.3080	0.000	1	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(H){1|O<1>,2|N<3>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	H(C[5a]C[5a,6]N[5a])	125.2730	0.000	1	124.8182	7.959	15	124.8182	7.959	15	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(H){2|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H){2|C<4>}	H(C[5a]C[5a,6]N[5a])	124.7857	2.925	14	124.8182	7.959	15	124.8182	7.959	15	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|S<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	H(C[5a]C[5a]N[5a])	126.4940	0.000	1	122.4421	12.019	8	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.7760	0.000	1	122.4421	12.019	8	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	120.5935	3.404	4	122.4421	12.019	8	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H){1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	H(C[5a]C[5a]N[5a])	121.9465	0.139	2	122.4421	12.019	8	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|Br<1>,1|H<1>}	H(C[5a]C[5a]N[5a])	127.2670	0.000	1	127.2670	0.000	1	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	125.4243	0.120	4	124.0712	6.990	19	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	H(C[5a]C[5a]N[5a])	126.4830	0.075	2	124.0712	6.990	19	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<4>}	H(C[5a]C[5a]N[5a])	120.9742	1.204	5	124.0712	6.990	19	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<2>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.2767	0.251	3	124.0712	6.990	19	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	120.4260	0.156	2	124.0712	6.990	19	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.1530	0.000	1	124.0712	6.990	19	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	H(C[5a]C[5a]N[5a])	125.9915	0.179	2	124.0712	6.990	19	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H){1|C<2>,1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	119.6910	0.000	1	123.6770	11.443	4	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.4810	0.294	2	123.6770	11.443	4	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H){1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	H(C[5a]C[5a]N[5a])	122.0550	0.000	1	123.6770	11.443	4	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.0723	3.188	6	125.2764	8.760	7	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(H){3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	H(C[5a]C[5a]N[5a])	126.5010	0.000	1	125.2764	8.760	7	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.8445	1.665	41	125.8846	2.167	60	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.5495	0.015	2	125.8846	2.167	60	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|H<1>}	H(C[5a]C[5a]N[5a])	125.8963	1.305	10	125.8846	2.167	60	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	H(C[5a]C[5a]N[5a])	125.6820	0.000	1	125.8846	2.167	60	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	125.9508	0.338	6	125.8846	2.167	60	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]I)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]I)(N[5a]N[5a]H)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|I<1>}	H(C[5a]C[5a]N[5a])	126.8420	0.000	1	126.8420	0.000	1	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.9495	0.738	6	126.9848	0.329	11	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	H(C[5a]C[5a]N[5a])	127.5770	0.000	1	126.9848	0.329	11	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H){1|Cl<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|Cl<1>,1|N<2>}	H(C[5a]C[5a]N[5a])	126.6290	0.000	1	126.9848	0.329	11	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|N<3>}	H(C[5a]C[5a]N[5a])	126.9767	0.206	3	126.9848	0.329	11	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|S<6>}	H(C[5a]C[5a]N[5a])	126.6527	0.241	3	126.6527	0.058	3	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>}	H(C[5a]C[5a]N[5a])	121.4880	0.000	1	121.4880	0.000	1	125.3391	5.355	115	125.2945	5.612	131	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]){1|C<4>}	H(C[5a]C[5a]N[5a])	127.5240	0.000	1	127.5240	0.000	1	127.5240	0.000	1	126.2425	10.822	4	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC){1|H<1>}	H(C[5a]C[5a]N[5a])	128.0615	0.073	2	128.0615	0.005	2	125.8153	15.138	3	126.2425	10.822	4	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NN){1|H<1>}	H(C[5a]C[5a]N[5a])	121.3230	0.000	1	121.3230	0.000	1	125.8153	15.138	3	126.2425	10.822	4	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(CC[3]O)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(H){2|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(CC[3]O){2|C<4>}	H(C[5a]C[5a,6]N[5a])	126.6430	0.000	1	126.6430	0.000	1	126.6430	0.000	1	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,4|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>}	H(C[5a]C[5a,6a]N[5a])	126.7125	0.351	4	126.8111	0.104	8	126.8111	0.104	8	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,4|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>}	H(C[5a]C[5a,6a]N[5a])	126.8573	0.349	3	126.8111	0.104	8	126.8111	0.104	8	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|O<1>,1|O<2>,3|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>}	H(C[5a]C[5a,6a]N[5a])	127.0670	0.000	1	126.8111	0.104	8	126.8111	0.104	8	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2){2|H<1>}	H(C[5a]C[5a]N[5a])	126.3933	0.173	3	126.3933	0.030	3	126.3933	0.030	3	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){1|C<3>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.4377	0.136	4	126.4377	0.018	4	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){2|C<3>}	H(C[5a]C[5a]N[5a])	126.8895	0.936	2	126.8895	0.875	2	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){2|C<3>}	H(C[5a]C[5a]N[5a])	125.8820	0.000	1	126.3613	0.182	3	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.6010	0.140	2	126.3613	0.182	3	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCC){2|H<1>}	H(C[5a]C[5a]N[5a])	126.8740	0.000	1	126.8740	0.000	1	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCH){2|H<1>}	H(C[5a]C[5a]N[5a])	126.2430	0.000	1	126.2430	0.000	1	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.5365	0.409	2	126.5231	0.036	8	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN){2|H<1>}	H(C[5a]C[5a]N[5a])	126.5187	0.132	6	126.5231	0.036	8	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.6850	0.000	1	126.7488	0.041	12	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){2|H<1>}	H(C[5a]C[5a]N[5a])	126.7546	0.210	11	126.7488	0.041	12	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5]O){2|H<1>}	H(C[5a]C[5a]N[5a])	127.2063	0.548	3	127.2063	0.301	3	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]O){2|H<1>}	H(C[5a]C[5a]N[5a])	126.3085	0.125	2	126.3085	0.016	2	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.3515	0.230	6	126.3515	0.053	6	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.8280	0.000	1	126.7523	0.028	3	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.8690	0.000	1	126.7523	0.028	3	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){2|H<1>}	H(C[5a]C[5a]N[5a])	126.5600	0.000	1	126.7523	0.028	3	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CIrH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CIrH){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.7490	0.000	1	126.7490	0.000	1	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN){2|H<1>}	H(C[5a]C[5a]N[5a])	126.2742	1.494	18	126.2731	1.899	21	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN){1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.2667	0.114	3	126.2731	1.899	21	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNO){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	119.5540	0.000	1	119.5540	0.000	1	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]C)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]C){2|H<1>}	H(C[5a]C[5a]N[5a])	126.7203	0.276	3	126.7203	0.076	3	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CRuC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CRuC){2|H<1>}	H(C[5a]C[5a]N[5a])	126.3850	0.000	1	126.3850	0.000	1	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CSS)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CSS){2|H<1>}	H(C[5a]C[5a]N[5a])	126.5360	0.000	1	126.5360	0.000	1	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){1|I<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.6670	0.000	1	126.6670	0.000	1	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){1|C<3>,1|S<2>}	H(C[5a]C[5a]N[5a])	126.1410	0.238	3	126.1410	0.057	3	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCC){1|C<3>}	H(C[5a]C[5a]N[5a])	127.3050	0.000	1	127.3050	0.000	1	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCF)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCF){1|C<3>}	H(C[5a]C[5a]N[5a])	127.8640	0.000	1	127.8640	0.000	1	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHH){1|C<3>}	H(C[5a]C[5a]N[5a])	127.7090	0.000	1	127.7090	0.000	1	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O){1|C<3>}	H(C[5a]C[5a]N[5a])	127.4243	0.045	3	127.4243	0.002	3	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<3>}	H(C[5a]C[5a]N[5a])	121.4340	0.000	1	121.4340	0.000	1	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O){1|C<4>}	H(C[5a]C[5a]N[5a])	127.3720	0.000	1	127.3720	0.000	1	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<4>}	H(C[5a]C[5a]N[5a])	126.9370	0.000	1	126.9370	0.000	1	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]O){1|H<1>}	H(C[5a]C[5a]N[5a])	127.6120	0.000	1	127.6120	0.000	1	126.4623	1.496	87	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){4|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|H<1>,1|O<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	127.2730	0.000	1	127.5857	0.085	3	127.5857	0.085	3	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){4|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	127.7420	0.151	2	127.5857	0.085	3	127.5857	0.085	3	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NCH){2|H<1>}	H(C[5a]C[5a]N[5a])	127.1720	0.000	1	127.1720	0.000	1	126.4483	8.879	6	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NHH){2|H<1>}	H(C[5a]C[5a]N[5a])	120.4130	0.000	1	120.4130	0.000	1	126.4483	8.879	6	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	127.5210	0.000	1	127.5210	0.000	1	126.4483	8.879	6	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|N<3>}	H(C[5a]C[5a]N[5a])	128.0710	0.206	2	128.0710	0.043	2	126.4483	8.879	6	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NHH){1|H<1>}	H(C[5a]C[5a]N[5a])	127.4420	0.000	1	127.4420	0.000	1	126.4483	8.879	6	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	126.5413	0.173	3	126.4002	0.100	4	126.4002	0.100	4	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5a]C[5a]N[5a])	125.9770	0.000	1	126.4002	0.100	4	126.4002	0.100	4	126.5141	1.611	112	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5,5a,6]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H)	H(C[5a]C[5,5a,6]N[5a])	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]N[5a]C)(H){1|H<1>,3|C<4>}	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H){2|C<4>}	H(C[5a]C[5,5a,6]N[5a])	127.0705	0.264	2	127.0705	0.070	2	127.0705	0.070	2	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(CH3)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]C)(H){1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(CH3){2|C<4>}	H(C[5a]C[5,5a]N[5a])	125.9700	0.000	1	125.9700	0.000	1	125.9700	0.000	1	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]S)(H)	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(SCOO)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]S)(H){1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(SCOO){2|C<4>}	H(C[5a]C[5,5a]N[5a])	127.6060	0.000	1	127.6060	0.000	1	127.6060	0.000	1	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C)(H){1|N<3>,2|N<2>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	H(C[5a]C[5a,6a]N[5a])	121.9290	4.523	3	121.9290	20.460	3	126.0205	4.637	35	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|C<3>,1|O<1>,1|O<2>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(C[5a]C[5a,6a]N[5a])	127.0280	0.000	1	126.2603	2.583	24	126.0205	4.637	35	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|Cl<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(C[5a]C[5a,6a]N[5a])	126.9690	0.000	1	126.2603	2.583	24	126.0205	4.637	35	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(C[5a]C[5a,6a]N[5a])	126.0303	1.869	17	126.2603	2.583	24	126.0205	4.637	35	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|N<3>,2|N<2>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	H(C[5a]C[5a,6a]N[5a])	126.4555	0.063	2	126.2603	2.583	24	126.0205	4.637	35	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	H(C[5a]C[5a,6a]N[5a])	126.7880	0.000	1	126.2603	2.583	24	126.0205	4.637	35	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|S<2>,2|N<2>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	H(C[5a]C[5a,6a]N[5a])	127.0185	0.053	2	126.2603	2.583	24	126.0205	4.637	35	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	H(C[5a]C[5a,6a]N[5a])	126.6505	0.254	2	126.7987	0.098	3	126.0205	4.637	35	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	H(C[5a]C[5a,6a]N[5a])	127.0950	0.000	1	126.7987	0.098	3	126.0205	4.637	35	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	H(C[5a]C[5a,6a]N[5a])	126.7457	0.212	3	126.8572	0.055	5	126.0205	4.637	35	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|O<2>,2|N<2>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	H(C[5a]C[5a,6a]N[5a])	127.0245	0.193	2	126.8572	0.055	5	126.0205	4.637	35	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){1|Br<1>,1|C<4>}	H(C[5a]C[5a]N[5a])	126.7830	0.000	1	126.7830	0.000	1	125.4700	2.310	62	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	H(C[5a]C[5a]N[5a])	126.4400	0.468	3	126.4400	0.219	3	125.4700	2.310	62	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<3>}	H(C[5a]C[5a]N[5a])	125.5450	0.000	1	125.7640	0.096	2	125.4700	2.310	62	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<4>}	H(C[5a]C[5a]N[5a])	125.9830	0.000	1	125.7640	0.096	2	125.4700	2.310	62	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){2|H<1>}	H(C[5a]C[5a]N[5a])	126.0595	0.788	11	126.0595	0.621	11	125.4700	2.310	62	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]3){2|H<1>}	H(C[5a]C[5a]N[5a])	125.6890	0.145	5	125.6890	0.021	5	125.4700	2.310	62	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.2640	0.262	5	125.2640	0.069	5	125.4700	2.310	62	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	124.4535	2.782	13	125.0357	4.233	26	125.4700	2.310	62	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.5564	0.234	8	125.0357	4.233	26	125.4700	2.310	62	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){2|H<1>}	H(C[5a]C[5a]N[5a])	125.7162	0.958	5	125.0357	4.233	26	125.4700	2.310	62	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]3){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.9983	0.411	3	125.9983	0.169	3	125.4700	2.310	62	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.5838	0.148	4	125.5838	0.022	4	125.4700	2.310	62	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BC[5]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BC[5]HH){1|C<3>}	H(C[5a]C[5a]N[5a])	122.1200	0.000	1	122.1200	0.000	1	125.4700	2.310	62	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BCHH){1|H<1>}	H(C[5a]C[5a]N[5a])	126.7110	0.000	1	126.7110	0.000	1	125.4700	2.310	62	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.1355	0.054	2	126.1355	0.003	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCFF)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCFF){1|Br<1>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.0455	0.493	2	126.0455	0.243	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.3740	0.000	1	126.3740	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|C<3>}	H(C[5a]C[5a]N[5a])	126.3470	0.000	1	126.3470	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	126.3960	0.000	1	126.2574	0.071	7	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<3>}	H(C[5a]C[5a]N[5a])	126.1310	0.000	1	126.2574	0.071	7	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	126.1940	0.000	1	126.2574	0.071	7	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<4>}	H(C[5a]C[5a]N[5a])	126.5800	0.014	2	126.2574	0.071	7	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.0070	0.000	1	126.2574	0.071	7	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	H(C[5a]C[5a]N[5a])	125.9140	0.000	1	126.2574	0.071	7	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	126.7630	0.000	1	126.7630	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,1|H<1>,2|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.0698	0.137	5	126.0890	0.020	7	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.2740	0.000	1	126.0890	0.020	7	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H){2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.0000	0.000	1	126.0890	0.020	7	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.8673	0.131	6	125.8673	0.017	6	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.8020	0.092	2	125.8020	0.008	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.4820	0.000	1	126.4820	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCCH){1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.3980	0.000	1	126.3980	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.4461	0.225	8	126.3076	0.817	27	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	H(C[5a]C[5a]N[5a])	126.1041	1.411	11	126.3076	0.817	27	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.4489	0.164	8	126.3076	0.817	27	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]HH){2|H<1>}	H(C[5a]C[5a]N[5a])	126.4232	0.100	4	126.4232	0.010	4	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6]HH){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.3640	0.000	1	126.3640	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C){2|H<1>}	H(C[5a]C[5a]N[5a])	126.1080	0.356	2	126.1080	0.127	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.1340	0.000	1	126.1340	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH){2|H<1>}	H(C[5a]C[5a]N[5a])	124.1180	4.152	3	124.1180	17.236	3	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.4562	2.015	25	125.1937	12.932	49	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.3230	0.000	1	125.1937	12.932	49	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	H(C[5a]C[5a]N[5a])	124.7909	4.954	22	125.1937	12.932	49	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.3660	0.000	1	125.1937	12.932	49	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	122.7610	0.000	1	122.7610	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|H<1>}	H(C[5a]C[5a]N[5a])	126.4147	0.029	3	126.4147	0.001	3	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHNN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHNN){1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.5860	0.071	2	126.5860	0.005	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2C)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2C){2|H<1>}	H(C[5a]C[5a]N[5a])	126.7400	0.000	1	126.7400	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H){2|H<1>}	H(C[5a]C[5a]N[5a])	126.7627	0.212	7	126.7627	0.045	7	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2P)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2P){2|H<1>}	H(C[5a]C[5a]N[5a])	127.6800	0.000	1	127.6800	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.9055	0.107	2	126.9055	0.011	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]CH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]CH){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.6680	0.000	1	126.6680	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH){2|H<1>}	H(C[5a]C[5a]N[5a])	126.3800	0.007	2	126.3800	0.000	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2C)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2C){2|H<1>}	H(C[5a]C[5a]N[5a])	126.2625	1.501	67	126.2625	2.252	67	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	124.3568	3.376	8	125.7955	5.048	22	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){2|H<1>}	H(C[5a]C[5a]N[5a])	126.6176	0.124	14	125.7955	5.048	22	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P){2|H<1>}	H(C[5a]C[5a]N[5a])	126.7512	0.206	14	126.7512	0.043	14	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.6170	0.143	3	126.6170	0.021	3	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.5120	0.151	2	126.5120	0.023	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	H(C[5a]C[5a]N[5a])	126.7980	0.000	1	126.7980	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|I<1>}	H(C[5a]C[5a]N[5a])	125.8200	0.088	2	125.8200	0.008	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|I<1>}	H(C[5a]C[5a]N[5a])	126.2670	0.000	1	126.2670	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	124.1230	3.971	4	124.1230	15.770	4	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.8150	0.000	1	122.9373	17.995	4	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>}	H(C[5a]C[5a]N[5a])	126.2910	0.000	1	122.9373	17.995	4	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	119.3215	1.247	2	122.9373	17.995	4	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|N<3>}	H(C[5a]C[5a]N[5a])	123.8990	0.000	1	123.8990	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	H(C[5a]C[5a]N[5a])	127.2650	0.000	1	127.2650	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]Os)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Os)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|Os<7>,1|C<3>}	H(C[5a]C[5a]N[5a])	122.0670	0.000	1	122.0670	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|C<3>}	H(C[5a]C[5a]N[5a])	127.9470	0.000	1	127.9470	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<3>}	H(C[5a]C[5a]N[5a])	125.9835	0.177	4	125.9835	0.031	4	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	H(C[5a]C[5a]N[5a])	125.1573	4.599	4	126.8819	2.633	34	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	H(C[5a]C[5a]N[5a])	127.1118	0.587	30	126.8819	2.633	34	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]CH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]CH){1|C<3>}	H(C[5a]C[5a]N[5a])	127.0290	0.000	1	127.0290	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	H(C[5a]C[5a]N[5a])	127.8780	0.000	1	127.4437	0.060	7	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	H(C[5a]C[5a]N[5a])	127.3713	0.168	6	127.4437	0.060	7	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH){1|C<3>}	H(C[5a]C[5a]N[5a])	127.2470	0.000	1	127.2470	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	H(C[5a]C[5a]N[5a])	126.0592	2.561	6	126.0592	6.557	6	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CC){1|C<3>}	H(C[5a]C[5a]N[5a])	127.8180	0.000	1	127.8180	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	H(C[5a]C[5a]N[5a])	127.4240	0.126	2	127.4240	0.016	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	H(C[5a]C[5a]N[5a])	127.4985	0.199	17	127.0398	2.189	50	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	H(C[5a]C[5a]N[5a])	126.8035	1.779	33	127.0398	2.189	50	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	H(C[5a]C[5a]N[5a])	127.3750	0.000	1	127.3750	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHS)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHS){1|C<3>}	H(C[5a]C[5a]N[5a])	127.0760	0.000	1	127.0760	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<3>}	H(C[5a]C[5a]N[5a])	127.8380	0.075	2	127.8380	0.006	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<4>}	H(C[5a]C[5a]N[5a])	127.0440	0.000	1	127.0440	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	H(C[5a]C[5a]N[5a])	127.3123	0.243	3	127.0547	3.012	59	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	H(C[5a]C[5a]N[5a])	127.0409	1.780	56	127.0547	3.012	59	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	H(C[5a]C[5a]N[5a])	126.1620	2.194	3	126.0370	3.004	8	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	H(C[5a]C[5a]N[5a])	125.9620	1.682	5	126.0370	3.004	8	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CC){1|C<4>}	H(C[5a]C[5a]N[5a])	127.1588	0.442	5	127.1588	0.195	5	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH){1|C<4>}	H(C[5a]C[5a]N[5a])	127.5500	0.361	5	127.5500	0.131	5	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	H(C[5a]C[5a]N[5a])	127.6560	0.186	3	127.6560	0.034	3	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	H(C[5a]C[5a]N[5a])	127.4876	0.160	8	126.9437	2.950	75	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	H(C[5a]C[5a]N[5a])	126.0903	2.663	10	126.9437	2.950	75	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	H(C[5a]C[5a]N[5a])	127.0171	1.606	57	126.9437	2.950	75	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>}	H(C[5a]C[5a]N[5a])	127.5530	0.000	1	127.5530	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	H(C[5a]C[5a]N[5a])	127.4330	0.467	2	127.4330	0.218	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]2H){1|C<3>}	H(C[5a]C[5a]N[5a])	127.7807	0.028	3	127.7807	0.001	3	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH){1|C<3>}	H(C[5a]C[5a]N[5a])	128.0215	0.090	2	128.0215	0.008	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>}	H(C[5a]C[5a]N[5a])	127.1755	0.330	2	127.1755	0.109	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	H(C[5a]C[5a]N[5a])	127.5680	0.000	1	127.5680	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	H(C[5a]C[5a]N[5a])	127.4827	0.259	4	127.4827	0.067	4	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	H(C[5a]C[5a]N[5a])	127.6523	0.385	3	127.6177	0.057	9	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	H(C[5a]C[5a]N[5a])	127.3590	0.000	1	127.6177	0.057	9	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	H(C[5a]C[5a]N[5a])	127.8330	0.000	1	127.6177	0.057	9	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	H(C[5a]C[5a]N[5a])	127.6025	0.112	4	127.6177	0.057	9	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	H(C[5a]C[5a]N[5a])	127.0590	1.370	2	127.0590	1.878	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	H(C[5a]C[5a]N[5a])	127.0470	0.000	1	127.2445	0.078	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|O<2>,2|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	H(C[5a]C[5a]N[5a])	127.4420	0.000	1	127.2445	0.078	2	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|O<2>,2|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<4>}	H(C[5a]C[5a]N[5a])	127.2213	0.051	3	127.2213	0.003	3	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	H(C[5a]C[5a]N[5a])	127.6820	0.000	1	127.6820	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|H<1>}	H(C[5a]C[5a]N[5a])	127.7970	0.000	1	127.7970	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|N<3>}	H(C[5a]C[5a]N[5a])	128.2800	0.000	1	127.9230	0.110	3	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|N<3>}	H(C[5a]C[5a]N[5a])	127.6260	0.000	1	127.9230	0.110	3	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|N<3>}	H(C[5a]C[5a]N[5a])	127.8630	0.000	1	127.9230	0.110	3	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<3>}	H(C[5a]C[5a]N[5a])	124.8225	3.567	2	126.3894	5.245	5	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<4>}	H(C[5a]C[5a]N[5a])	127.4340	0.185	3	126.3894	5.245	5	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|S<4>}	H(C[5a]C[5a]N[5a])	128.2550	0.000	1	128.2550	0.000	1	126.5307	3.643	570	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(PN[5a]2Cu)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(PN[5a]2Cu){2|H<1>}	H(C[5a]C[5a]N[5a])	126.4347	0.135	3	126.4347	0.018	3	126.4347	0.018	3	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	126.8110	0.000	1	126.8110	0.000	1	127.1372	0.219	5	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO){2|H<1>}	H(C[5a]C[5a]N[5a])	127.1030	0.000	1	127.1030	0.000	1	127.1372	0.219	5	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]S)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]S)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(SC[6a]OO){1|C<4>}	H(C[5a]C[5a]N[5a])	127.2573	0.602	3	127.2573	0.363	3	127.1372	0.219	5	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:2:4:	3:	N[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	N[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3){2|C<3>}	H(C[5a]N[5a,6]N[5a])	126.7410	0.000	1	126.7410	0.000	1	126.7410	0.000	1	126.4145	3.603	680	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5,5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5,5a,6]C)(C[5a]C[5,5a,6]H)(H)	H(C[5a]C[5,5a,6]N[5a])	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5,5a,6]C)(C[5a]C[5,5a,6]H)(H){2|C<4>}	H(C[5a]C[5,5a,6]N[5a])	122.6845	5.107	2	122.6845	26.086	2	124.6290	13.747	4	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5,5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5,5a,6]H)2(H)	H(C[5a]C[5,5a,6]N[5a])	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]H)(H){2|H<1>,3|C<4>}	N[5a](C[5a]C[5,5a,6]H)2(H){2|C<4>}	H(C[5a]C[5,5a,6]N[5a])	126.5735	0.173	2	126.5735	0.030	2	124.6290	13.747	4	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]2)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(H)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]2)(N[5a]C[5a]H)(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(H){1|C<3>,1|C<4>}	H(C[5a]C[5,5a]N[5a])	126.1190	0.000	2	126.1190	0.000	2	126.5777	0.072	10	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5,5a]H)2(H)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]H)2(H){2|C<3>}	H(C[5a]C[5,5a]N[5a])	126.5585	0.110	2	126.5585	0.012	2	126.5777	0.072	10	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5,5a]H)2(H)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[5a](C[5a]C[5,5a]H)2(H){2|S<2>}	H(C[5a]C[5,5a]N[5a])	126.7370	0.108	6	126.7370	0.012	6	126.5777	0.072	10	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a,6,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a,6,6]C[6])(C[5a]C[5a,6,6]H)(H)	H(C[5a]C[5a,6,6]N[5a])	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a,6,6]C[6])(C[5a]C[5a,6,6]H)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[5a]C[5a,6,6]N[5a])	126.0690	0.110	2	126.0690	0.012	2	126.0690	0.012	2	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[6,6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6,6a]C[6,6])(N[5a]C[5a,6a]H)(H){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a,6]N[5a])	125.1750	0.000	1	125.1750	0.000	1	124.6152	1.944	15	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a,6]N[5a])	125.2960	0.000	1	124.5551	2.234	13	124.6152	1.944	15	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a,6]N[5a])	124.4205	1.597	11	124.5551	2.234	13	124.6152	1.944	15	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a,6]N[5a])	125.2940	0.000	1	124.5551	2.234	13	124.6152	1.944	15	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]N[6a])(C[5a]C[5a,6]H)(H)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]N[6a])(C[5a]C[5a,6]H)(H){1|C<4>,2|C<3>}	H(C[5a]C[5a,6]N[5a])	124.8370	0.000	1	124.8370	0.000	1	124.6152	1.944	15	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H){2|C<4>}	H(C[5a]C[5a,6]N[5a])	126.0700	0.000	1	126.0700	0.000	1	125.7718	0.060	5	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H){1|C<4>,1|N<3>}	H(C[5a]C[5a,6]N[5a])	125.5905	0.053	2	125.5905	0.003	2	125.7718	0.060	5	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a,6]H)(C[5a]C[5a,6]S)(H)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<4>}	N[5a](C[5a]C[5a,6]H)(C[5a]C[5a,6]S)(H){1|C<4>,1|N<3>}	H(C[5a]C[5a,6]N[5a])	125.6030	0.000	1	125.6030	0.000	1	125.7718	0.060	5	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|O<2>}	N[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)(H){2|O<2>}	H(C[5a]C[5a,6]N[5a])	126.0050	0.000	1	126.0050	0.000	1	125.7718	0.060	5	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(H)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]H)(H){4|C<3>}	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(H){2|C<3>}	H(C[5a]C[5a,6a]N[5a])	125.9450	0.349	2	125.9450	0.122	2	125.7523	0.172	3	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(H)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(H){2|C<3>}	H(C[5a]C[5a,6a]N[5a])	125.3670	0.000	1	125.3670	0.000	1	125.7523	0.172	3	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	B[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]H)(H)	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]H)(H){2|C<3>}	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.1630	0.000	1	124.1630	0.000	1	124.1110	0.005	2	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	B[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]B[5a,6a]H)(H)	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]B[5a,6a]H)(H){2|C<3>}	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.0590	0.000	1	124.0590	0.000	1	124.1110	0.005	2	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]H)(H)	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|C<4>}	H(C[5a]C[5a]N[5a])	120.5910	0.000	1	120.5910	0.000	1	120.5910	0.000	1	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H){1|C<2>,1|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	124.9500	0.000	1	124.2122	3.700	4	124.6434	0.835	21	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|O<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.9663	2.278	3	124.2122	3.700	4	124.6434	0.835	21	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Rh<5>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.7690	0.000	1	124.7690	0.000	1	124.6434	0.835	21	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H){1|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	H(C[5a]C[5a]N[5a])	124.9240	0.000	1	124.9240	0.000	1	124.6434	0.835	21	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H){1|N<3>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.1970	0.379	2	124.4677	0.146	4	124.6434	0.835	21	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(H){1|N<3>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Rh<5>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.7385	0.015	2	124.4677	0.146	4	124.6434	0.835	21	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	123.9280	0.000	1	124.5900	0.409	3	124.6434	0.835	21	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.6370	0.000	1	124.5900	0.409	3	124.6434	0.835	21	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|Pd<5>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.2050	0.000	1	124.5900	0.409	3	124.6434	0.835	21	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Cu<5>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9815	0.342	2	124.8190	0.052	5	124.6434	0.835	21	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Pd<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.7010	0.000	1	124.8190	0.052	5	124.6434	0.835	21	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Pt<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.7410	0.000	1	124.8190	0.052	5	124.6434	0.835	21	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(H){1|Ru<7>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.6900	0.000	1	124.8190	0.052	5	124.6434	0.835	21	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6]C)(N[5a]C[5a,6]H)(H){2|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.7060	0.270	2	125.7060	0.073	2	124.6434	0.835	21	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6]H)(H){2|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.8210	0.000	1	123.8210	0.000	1	124.6434	0.835	21	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Br<1>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.8390	0.000	1	125.8390	0.000	1	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)(H){1|C<4>,1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9560	0.000	1	124.9560	0.000	1	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.3952	1.470	345	124.4782	1.812	488	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.7071	0.898	139	124.4782	1.812	488	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,1|O<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.8350	0.000	1	124.4782	1.812	488	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	H(C[5a]C[5a]N[5a])	123.2940	2.593	3	124.4782	1.812	488	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|C<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.0730	0.000	1	124.6558	0.071	5	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.5027	0.138	3	124.6558	0.071	5	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){3|C<3>}	H(C[5a]C[5a]N[5a])	124.6980	0.000	1	124.6558	0.071	5	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9700	0.000	1	125.0033	0.002	4	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.0143	0.048	3	125.0033	0.002	4	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9200	0.000	1	124.9610	0.002	4	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9635	0.050	2	124.9610	0.002	4	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9970	0.000	1	124.9610	0.002	4	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	122.1050	0.000	1	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.6640	1.964	2	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9643	0.312	3	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,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]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9086	0.276	11	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.6287	0.155	3	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	119.4980	0.000	1	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.8743	0.169	10	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,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)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.8190	0.000	1	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.7280	0.331	7	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	120.5300	0.000	1	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.8853	0.218	3	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9545	0.126	10	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.0784	0.093	5	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9307	0.169	3	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9560	0.000	1	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){2|C<3>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.1330	0.000	1	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){2|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.3410	0.086	2	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.8075	0.035	4	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.6213	0.992	9	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9498	0.218	11	124.6890	0.815	89	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.9480	0.000	1	124.3470	1.918	15	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.8370	0.000	1	124.3470	1.918	15	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.0229	1.735	9	124.3470	1.918	15	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H){1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.8625	0.401	2	124.3470	1.918	15	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.7445	0.469	2	124.3470	1.918	15	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.8500	0.000	1	124.3377	2.376	44	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,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]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9751	0.402	11	124.3377	2.376	44	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	H(C[5a]C[5a]N[5a])	124.7090	0.000	1	124.3377	2.376	44	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,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)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.7809	1.713	8	124.3377	2.376	44	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,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]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.8160	0.000	1	124.3377	2.376	44	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.2199	2.914	8	124.3377	2.376	44	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.6204	0.086	5	124.3377	2.376	44	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.8444	0.235	5	124.3377	2.376	44	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.8860	0.000	1	124.3377	2.376	44	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.8060	0.000	1	124.3377	2.376	44	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.8685	0.088	2	124.3377	2.376	44	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|N<2>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.6310	0.000	1	124.6310	0.000	1	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.9640	0.000	1	124.4223	2.748	27	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.5367	1.461	18	124.4223	2.748	27	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.0974	2.197	8	124.4223	2.748	27	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){3|C<3>}	H(C[5a]C[5a]N[5a])	124.5977	0.145	10	124.5977	0.021	10	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|Cl<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.2130	0.000	1	125.2130	0.000	1	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.0390	0.133	2	125.0390	0.018	2	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|N<2>}	H(C[5a]C[5a]N[5a])	124.1430	0.000	1	123.9286	5.584	73	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	H(C[5a]C[5a]N[5a])	124.8310	0.000	1	123.9286	5.584	73	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5a]C[5a]N[5a])	121.0613	2.704	7	123.9286	5.584	73	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	120.1950	0.000	1	123.9286	5.584	73	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	116.1350	0.000	1	123.9286	5.584	73	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Cl<1>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9695	0.231	2	123.9286	5.584	73	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	121.3080	1.435	2	123.9286	5.584	73	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9713	0.410	19	123.9286	5.584	73	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.7730	0.000	1	123.9286	5.584	73	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.8937	0.365	7	123.9286	5.584	73	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.1295	2.409	31	123.9286	5.584	73	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.9215	1.626	8	123.9215	2.643	8	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.8770	2.521	4	123.8770	6.353	4	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.7790	0.000	1	124.7790	0.000	1	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|S<2>,2|N<2>}	H(C[5a]C[5a]N[5a])	122.3640	0.000	1	124.5521	1.431	13	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.5005	1.225	8	124.5521	1.431	13	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.1250	0.000	1	124.5521	1.431	13	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.3785	0.179	2	124.5521	1.431	13	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|S<2>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.9270	0.000	1	124.5521	1.431	13	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.5740	0.484	2	124.5740	0.234	2	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9713	0.283	3	124.9713	0.080	3	124.4468	2.074	796	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	118.7330	0.000	1	118.7330	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Br<1>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.3286	0.171	5	126.3286	0.029	5	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|Br<1>,1|H<1>}	N[5a](C[5a]C[5a]Br)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	118.8180	0.000	1	118.8180	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|Br<1>,1|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>}	H(C[5a]C[5a]N[5a])	125.4060	0.000	1	125.2230	1.116	31	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Br<1>,1|C<3>}	H(C[5a]C[5a]N[5a])	125.8960	0.000	1	125.2230	1.116	31	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	125.8040	0.198	2	125.2230	1.116	31	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|C<4>}	H(C[5a]C[5a]N[5a])	125.4153	0.076	4	125.2230	1.116	31	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.3704	0.417	5	125.2230	1.116	31	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.0730	0.120	2	125.2230	1.116	31	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|O<2>}	H(C[5a]C[5a]N[5a])	123.5030	2.138	2	125.2230	1.116	31	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|S<2>}	H(C[5a]C[5a]N[5a])	125.4380	0.000	1	125.2230	1.116	31	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.0070	0.000	1	125.2230	1.116	31	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.8170	0.000	2	125.2230	1.116	31	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|Co<5>,1|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Co<5>,1|C<3>}	H(C[5a]C[5a]N[5a])	125.5630	0.018	2	125.2230	1.116	31	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|Cu<4>,1|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Cu<4>,1|C<3>}	H(C[5a]C[5a]N[5a])	125.3020	0.180	2	125.2230	1.116	31	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<2>,1|C<3>}	H(C[5a]C[5a]N[5a])	125.8580	0.000	1	125.2230	1.116	31	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	123.7437	2.413	3	125.2230	1.116	31	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|C<3>}	H(C[5a]C[5a]N[5a])	125.7200	0.141	2	125.2230	1.116	31	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|C<4>}	H(C[5a]C[5a]N[5a])	125.4508	0.215	20	125.4508	0.046	20	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	126.0040	0.000	1	125.8493	0.022	3	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.8370	0.000	1	125.8493	0.022	3	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	H(C[5a]C[5a]N[5a])	125.7070	0.000	1	125.8493	0.022	3	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(H){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.4080	0.000	1	125.4080	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<2>,1|C<3>}	H(C[5a]C[5a]N[5a])	126.0633	0.117	3	125.4358	1.999	12	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	125.5077	0.176	3	125.4358	1.999	12	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(H){2|C<3>}	H(C[5a]C[5a]N[5a])	125.7940	0.000	1	125.4358	1.999	12	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	125.9275	0.124	4	125.4358	1.999	12	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	121.0130	0.000	1	125.4358	1.999	12	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	125.4140	0.066	2	124.6000	3.330	4	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.7010	0.000	1	124.6000	3.330	4	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(H){2|H<1>,2|N<3>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	121.8710	0.000	1	124.6000	3.330	4	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(H){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.2710	0.000	1	126.2710	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){4|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.6653	0.054	3	125.6653	0.003	3	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|C<4>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|S<4>}	H(C[5a]C[5a]N[5a])	125.5720	0.000	1	124.2424	3.073	5	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	123.5067	2.016	3	124.2424	3.073	5	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){4|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|C<3>}	H(C[5a]C[5a]N[5a])	125.1200	0.000	1	124.2424	3.073	5	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){4|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|O<2>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.4473	0.117	3	125.4473	0.014	3	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.5230	0.000	1	124.2910	5.195	5	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	H(C[5a]C[5a]N[5a])	123.9830	2.509	4	124.2910	5.195	5	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|C<2>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)2(H){1|C<2>,1|C<3>}	H(C[5a]C[5a]N[5a])	125.2867	0.081	3	125.4441	0.030	7	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	125.5670	0.000	1	125.4441	0.030	7	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]H)2(H){2|C<3>}	H(C[5a]C[5a]N[5a])	125.6770	0.000	1	125.4441	0.030	7	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)2(H){2|C<3>}	H(C[5a]C[5a]N[5a])	125.5025	0.125	2	125.4441	0.030	7	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Cl<1>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.2550	0.000	1	126.0955	0.051	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(H){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Cl<1>,1|O<2>}	H(C[5a]C[5a]N[5a])	125.9360	0.000	1	126.0955	0.051	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(H){1|C<3>,1|F<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|F<1>}	H(C[5a]C[5a]N[5a])	126.3665	0.046	2	126.3665	0.002	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(H){1|C<3>,1|F<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|F<1>}	H(C[5a]C[5a]N[5a])	126.1717	0.092	7	126.1717	0.008	7	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	121.0380	1.394	2	125.5034	1.819	40	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.7267	0.888	35	125.5034	1.819	40	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.5860	0.000	1	125.5034	1.819	40	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|N<2>,1|N<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.1920	0.000	1	125.5034	1.819	40	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.8470	0.000	1	125.5034	1.819	40	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|Br<1>,1|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|Br<1>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.1195	0.291	2	125.4061	1.924	283	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<2>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.6765	0.028	2	125.4061	1.924	283	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	H(C[5a]C[5a]N[5a])	125.6420	0.181	2	125.4061	1.924	283	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	120.5840	0.000	1	125.4061	1.924	283	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	119.4760	0.000	1	125.4061	1.924	283	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	H(C[5a]C[5a]N[5a])	125.1849	1.416	160	125.4061	1.924	283	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	125.6945	0.152	2	125.4061	1.924	283	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|H<1>}	H(C[5a]C[5a]N[5a])	125.8762	0.858	110	125.4061	1.924	283	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	123.2160	4.347	3	125.4061	1.924	283	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.7380	0.000	2	125.0783	4.022	13	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.7700	0.014	2	125.0783	4.022	13	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|N<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.4905	0.062	2	125.0783	4.022	13	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.7435	0.117	2	125.0783	4.022	13	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.8210	0.000	1	125.0783	4.022	13	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	H(C[5a]C[5a]N[5a])	118.5640	0.000	1	125.0783	4.022	13	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.9570	0.000	1	125.0783	4.022	13	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,1|O<2>,3|H<1>}	H(C[5a]C[5a]N[5a])	126.0960	0.013	2	125.0783	4.022	13	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.9190	0.000	1	125.2813	2.642	30	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.0004	1.749	16	125.2813	2.642	30	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.0438	0.224	5	125.2813	2.642	30	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.6770	0.000	1	125.2813	2.642	30	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	124.1863	3.161	3	125.2813	2.642	30	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.1210	0.011	2	125.2813	2.642	30	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,3|H<1>}	H(C[5a]C[5a]N[5a])	126.0000	0.000	1	125.2813	2.642	30	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){2|N<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	125.8160	0.000	1	125.2813	2.642	30	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<2>,1|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<2>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.7240	0.000	1	125.1595	4.077	34	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.4794	2.717	17	125.1595	4.077	34	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.8844	0.145	11	125.1595	4.077	34	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|N<2>}	H(C[5a]C[5a]N[5a])	125.2230	0.000	1	125.1595	4.077	34	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.8992	0.131	4	125.1595	4.077	34	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(H){2|H<1>}	H(C[5a]C[5a]N[5a])	125.9113	0.433	3	125.9113	0.187	3	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(H){2|H<1>}	H(C[5a]C[5a]N[5a])	125.0980	0.000	1	125.0980	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	119.8770	0.369	2	123.3125	15.212	13	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(H){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.8730	0.058	2	123.3125	15.212	13	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(H){2|H<1>}	H(C[5a]C[5a]N[5a])	123.5069	4.262	9	123.3125	15.212	13	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.5760	0.000	1	125.5760	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]I)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]I)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|H<1>,1|I<1>}	H(C[5a]C[5a]N[5a])	127.7230	0.000	1	127.7230	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.4230	0.000	1	126.2565	0.055	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){2|N<3>}	H(C[5a]C[5a]N[5a])	126.0900	0.000	1	126.2565	0.055	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	H(C[5a]C[5a]N[5a])	126.5075	0.107	2	126.5075	0.011	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(H){1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.5000	0.000	1	126.5000	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]C[5a]H)(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)2(H){2|N<3>}	H(C[5a]C[5a]N[5a])	126.3015	0.101	2	126.3015	0.010	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	H(C[5a]C[5a]N[5a])	124.3107	2.757	3	124.3107	7.602	3	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(H){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	H(C[5a]C[5a]N[5a])	125.7405	1.414	2	125.7405	1.998	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]O)(N[5a]C[5a]H)(H){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,3|O<2>}	H(C[5a]C[5a]N[5a])	125.7620	0.238	2	125.7620	0.056	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]S)(N[5a]C[5a]H)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(H){1|C<4>,1|S<4>}	H(C[5a]C[5a]N[5a])	126.0930	0.000	1	126.0930	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>}	H(C[5a]C[5a]N[5a])	126.8223	0.072	3	126.8223	0.005	3	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	H(C[5a]C[5a]N[5a])	125.9650	1.176	3	125.9650	1.383	3	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(H){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){3|C<3>}	H(C[5a]C[5a]N[5a])	126.9930	0.000	1	126.9930	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>}	H(C[5a]C[5a]N[5a])	124.6120	0.000	1	127.1780	13.169	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|Fe<6>,1|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Fe<6>,1|C<3>}	H(C[5a]C[5a]N[5a])	129.7440	0.000	1	127.1780	13.169	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]F)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|F<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]F)(H){1|C<4>}	H(C[5a]C[5a]N[5a])	126.6930	0.000	1	126.6930	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<2>}	H(C[5a]C[5a]N[5a])	122.8990	0.000	1	125.5031	11.224	24	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	H(C[5a]C[5a]N[5a])	125.1823	3.456	3	125.5031	11.224	24	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<4>}	H(C[5a]C[5a]N[5a])	125.6814	3.453	20	125.5031	11.224	24	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|C<4>}	H(C[5a]C[5a]N[5a])	126.4195	0.448	2	126.4195	0.200	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(H){2|C<4>}	H(C[5a]C[5a]N[5a])	126.0120	0.000	1	126.0120	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	H(C[5a]C[5a]N[5a])	126.8790	0.000	1	126.8790	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|C<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|S<2>}	H(C[5a]C[5a]N[5a])	127.0320	0.000	1	127.0320	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	H(C[5a]C[5a]N[5a])	126.2340	0.000	1	124.6760	4.855	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H){1|H<1>,2|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|C<3>}	H(C[5a]C[5a]N[5a])	123.1180	0.000	1	124.6760	4.855	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)(H){1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	H(C[5a]C[5a]N[5a])	127.4155	1.326	2	127.4155	1.758	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(H){1|C<3>,2|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>}	H(C[5a]C[5a]N[5a])	127.1410	0.000	1	127.1410	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|Ag<4>,1|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|Ag<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	118.9100	0.000	1	125.6565	7.417	24	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>}	H(C[5a]C[5a]N[5a])	126.2591	2.405	14	125.6565	7.417	24	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>}	H(C[5a]C[5a]N[5a])	125.4688	2.358	9	125.6565	7.417	24	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(H){1|H<1>}	H(C[5a]C[5a]N[5a])	126.6336	1.287	28	126.6336	1.655	28	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|H<1>}	H(C[5a]C[5a]N[5a])	125.3867	2.252	3	125.4565	3.836	8	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(H){1|H<1>}	H(C[5a]C[5a]N[5a])	125.4984	2.042	5	125.4565	3.836	8	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(H){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.0750	0.100	2	126.0750	0.010	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|H<1>}	H(C[5a]C[5a]N[5a])	126.6659	0.857	9	126.6659	0.734	9	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|S<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(H){1|H<1>}	H(C[5a]C[5a]N[5a])	124.7250	0.000	1	122.2935	11.824	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|S<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(H){1|H<1>}	H(C[5a]C[5a]N[5a])	119.8620	0.000	1	122.2935	11.824	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	H(C[5a]C[5a]N[5a])	127.0249	0.642	31	127.0249	0.413	31	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(C[5a]C[5a]N[5a])	127.1362	0.028	10	127.0548	0.028	19	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	126.9644	0.214	9	127.0548	0.028	19	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|S<2>}	H(C[5a]C[5a]N[5a])	127.2597	0.875	7	126.9074	0.304	27	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<3>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|N<3>}	H(C[5a]C[5a]N[5a])	126.7296	0.352	16	126.9074	0.304	27	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<4>}	N[5a](C[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,1|O<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	127.0020	0.128	4	126.9074	0.304	27	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|N<2>}	H(C[5a]C[5a]N[5a])	125.4990	2.215	2	125.3104	6.854	5	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<4>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	127.0090	0.000	1	125.3104	6.854	5	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]H)(H){1|C<4>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	H(C[5a]C[5a]N[5a])	124.2725	4.171	2	125.3104	6.854	5	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|N<3>}	H(C[5a]C[5a]N[5a])	127.9430	0.156	2	127.9430	0.024	2	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|N<2>,2|N<3>}	H(C[5a]C[5a]N[5a])	127.8430	0.000	1	127.8430	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(H)	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(H){1|Cl<1>}	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(H){1|N<3>}	H(C[5a]C[5a]N[5a])	120.7640	0.000	1	120.7640	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]N[5a]P)(N[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]P)(N[5a]C[5a]H)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|P<4>}	H(C[5a]C[5a]N[5a])	126.9590	0.000	1	126.9590	0.000	1	125.6082	3.039	751	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|C<3>,1|O<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|O<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.9340	0.000	1	124.9340	0.000	1	124.9340	0.000	1	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,2|N<3>}	H(C[5a]N[5a]2)	125.0220	0.000	1	125.0220	0.000	1	125.1116	0.432	29	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6]H)2(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]H)2(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|S<1>}	H(C[5a]N[5a]2)	125.2380	0.000	1	124.9687	0.439	14	125.1116	0.432	29	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6]H)2(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]H)2(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,2|N<3>}	H(C[5a]N[5a]2)	124.9343	0.713	12	124.9687	0.439	14	125.1116	0.432	29	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6]H)2(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]H)2(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|O<1>,2|N<3>}	H(C[5a]N[5a]2)	125.1120	0.000	1	124.9687	0.439	14	125.1116	0.432	29	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6]H)2(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]H)2(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	125.2692	0.693	13	125.2608	0.445	14	125.1116	0.432	29	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a,6]H)2(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]H)2(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(H){2|C<3>,2|H<1>}	H(C[5a]N[5a]2)	125.1510	0.000	1	125.2608	0.445	14	125.1116	0.432	29	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)2(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)2(H){1|C<2>,1|O<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>,1|O<1>}	H(C[5a]N[5a]2)	125.5968	0.168	4	124.7106	3.947	5	125.3541	3.866	10	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)2(H)	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)2(H){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|H<1>,1|O<1>}	H(C[5a]N[5a]2)	121.1660	0.000	1	124.7106	3.947	5	125.3541	3.866	10	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)2(H)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)2(H){1|C<2>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(H){1|C<2>,1|H<1>}	H(C[5a]N[5a]2)	125.1398	0.218	4	125.9976	3.715	5	125.3541	3.866	10	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](N[5a]C[5a]H)2(H)	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a]H)2(H){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	H(C[5a]N[5a]2)	129.4290	0.000	1	125.9976	3.715	5	125.3541	3.866	10	125.0159	2.815	1650	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5,5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5,5a,6]H)(C[6a]C[6a]N[6a])(N[5a]C[5,5a,6])	H(C[5a]C[5,5a,6]N[5a])	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[6a]N[5a])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	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>}	H(C[5a]C[5,5a,6]N[5a])	126.9792	0.476	6	126.9792	0.227	6	126.9792	0.227	6	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5,6]C[5])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5]C[5,6]C[5])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,2|C<3>,4|C<4>}	H(C[5a]C[5a,6a]N[5a])	126.7430	0.000	1	126.7430	0.000	1	126.7430	0.000	1	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|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>}	H(C[5a]C[5a,6a]N[5a])	123.4762	3.347	12	123.4762	11.202	12	123.4762	11.202	12	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	122.4005	3.796	2	122.4005	14.413	2	122.4005	14.413	2	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.5350	0.000	1	125.5350	0.000	1	125.5350	0.000	1	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(OH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(OH){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	120.0040	0.000	1	120.0040	0.000	1	120.0040	0.000	1	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC){1|H<1>}	H(C[5a]C[5a]N[5a])	124.0830	0.000	1	124.0830	0.000	1	125.0507	1.748	3	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC){1|H<1>}	H(C[5a]C[5a]N[5a])	125.5345	1.446	2	125.5345	2.091	2	125.0507	1.748	3	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-2:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(NN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]N)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(NN){1|N<3>}	H(C[5a]C[5a]N[5a])	127.7350	0.000	1	127.7350	0.000	1	127.7350	0.000	1	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H){4|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|S<2>,2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	127.2910	0.054	2	127.2910	0.003	2	127.4387	0.035	4	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H){1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]){1|C<4>,3|C<3>}	H(C[5a]C[5a]N[5a])	127.5040	0.000	1	127.5865	0.014	2	127.4387	0.035	4	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H){2|C<3>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]){1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	127.6690	0.000	1	127.5865	0.014	2	127.4387	0.035	4	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(OH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(H){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(OH){1|C<4>,1|P<4>}	H(C[5a]C[5a]N[5a])	125.6380	0.000	1	125.6380	0.000	1	127.0273	0.520	7	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]O)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OH){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	126.7180	0.000	1	126.7180	0.000	1	127.0273	0.520	7	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]O)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]O)(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OC){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	126.8090	0.000	1	126.8090	0.000	1	127.0273	0.520	7	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]O)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC[6])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]O)(H){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC[6]){3|C<3>}	H(C[5a]C[5a]N[5a])	127.6350	0.000	1	127.6350	0.000	1	127.0273	0.520	7	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]O)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC){1|H<1>}	H(C[5a]C[5a]N[5a])	127.7210	0.000	1	127.7210	0.000	1	127.0273	0.520	7	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(OH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]O)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(OH){1|H<1>}	H(C[5a]C[5a]N[5a])	127.3350	0.088	2	127.3350	0.008	2	127.0273	0.520	7	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	126.0570	0.000	1	126.0570	0.000	1	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H){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|S<2>,3|C<3>}	H(C[5a]C[5a]N[5a])	127.8000	0.000	1	126.3420	6.317	11	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	H(C[5a]C[5a]N[5a])	127.6530	0.064	2	126.3420	6.317	11	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<3>,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>}	H(C[5a]C[5a]N[5a])	125.8320	2.816	8	126.3420	6.317	11	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){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>}	H(C[5a]C[5a]N[5a])	127.6710	0.000	1	126.6716	3.697	110	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){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>}	H(C[5a]C[5a]N[5a])	127.1621	1.208	16	126.6716	3.697	110	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|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>}	H(C[5a]C[5a]N[5a])	127.4810	0.067	3	126.6716	3.697	110	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|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>}	H(C[5a]C[5a]N[5a])	125.8847	2.587	14	126.6716	3.697	110	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|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>}	H(C[5a]C[5a]N[5a])	127.4162	0.100	9	126.6716	3.697	110	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|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>}	H(C[5a]C[5a]N[5a])	127.1542	0.358	6	126.6716	3.697	110	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|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>}	H(C[5a]C[5a]N[5a])	127.2327	0.168	3	126.6716	3.697	110	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|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>}	H(C[5a]C[5a]N[5a])	127.5980	0.000	1	126.6716	3.697	110	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	127.2235	0.084	2	126.6716	3.697	110	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){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>}	H(C[5a]C[5a]N[5a])	127.4610	0.000	1	126.6716	3.697	110	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|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>}	H(C[5a]C[5a]N[5a])	127.5695	0.026	2	126.6716	3.697	110	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|Br<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	127.6630	0.018	2	126.6716	3.697	110	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|F<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	127.5923	0.304	3	126.6716	3.697	110	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	126.2270	2.344	47	126.6716	3.697	110	126.6369	3.864	122	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	N[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){4|C<3>}	N[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	127.6430	0.000	1	127.6430	0.000	1	127.6430	0.000	1	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<2>,3|C<3>}	H(C[5a]C[5a]N[5a])	127.4050	0.000	1	127.4050	0.000	1	127.4092	0.146	5	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){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>}	H(C[5a]C[5a]N[5a])	127.2410	0.000	1	127.4102	0.195	4	127.4092	0.146	5	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){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>}	H(C[5a]C[5a]N[5a])	127.4667	0.523	3	127.4102	0.195	4	127.4092	0.146	5	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]2)(H)	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]2)(H){1|N<2>,3|C<3>}	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	127.9260	0.000	1	127.9260	0.000	1	128.3057	0.110	3	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]N[5a]2)(H)	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]2)(H){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	128.4955	0.062	2	128.4955	0.004	2	128.3057	0.110	3	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,1|S<2>}	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){4|C<3>}	H(C[5a]C[5a]N[5a])	126.5695	0.112	2	126.5695	0.013	2	125.8477	5.248	16	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	126.7370	0.000	1	126.2668	0.105	4	125.8477	5.248	16	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.2250	0.000	1	126.2668	0.105	4	125.8477	5.248	16	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	H(C[5a]C[5a]N[5a])	126.0525	0.036	2	126.2668	0.105	4	125.8477	5.248	16	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	H(C[5a]C[5a]N[5a])	126.9800	0.000	1	126.9225	0.007	2	125.8477	5.248	16	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.8650	0.000	1	126.9225	0.007	2	125.8477	5.248	16	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,1|N<2>,1|O<2>}	N[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	127.0140	0.000	1	127.0140	0.000	1	125.8477	5.248	16	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(H){1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	H(C[5a]C[5a]N[5a])	124.1100	4.818	2	124.1100	23.215	2	125.8477	5.248	16	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(H){1|C<3>,2|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,3|N<3>}	H(C[5a]C[5a]N[5a])	120.7890	0.000	1	120.7890	0.000	1	125.8477	5.248	16	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	127.3450	0.000	1	127.4580	0.026	2	125.8477	5.248	16	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	127.5710	0.000	1	127.4580	0.026	2	125.8477	5.248	16	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){2|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	127.7650	0.000	1	127.7650	0.000	1	125.8477	5.248	16	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]O[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]O[5a]){1|C<4>,2|N<3>,2|O<1>}	H(C[5a]C[5a]N[5a])	122.8080	0.000	1	122.8080	0.000	1	125.8477	5.248	16	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(H){1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	121.3420	0.000	1	121.3420	0.000	1	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,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>}	H(C[5a]C[5a]N[5a])	122.1470	0.000	1	125.2760	4.680	39	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,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>}	H(C[5a]C[5a]N[5a])	126.3030	0.000	1	125.2760	4.680	39	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,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>}	H(C[5a]C[5a]N[5a])	118.0610	0.000	1	125.2760	4.680	39	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,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>}	H(C[5a]C[5a]N[5a])	124.6960	2.976	3	125.2760	4.680	39	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|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>}	H(C[5a]C[5a]N[5a])	125.9280	0.000	1	125.2760	4.680	39	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|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>}	H(C[5a]C[5a]N[5a])	126.2490	0.000	1	125.2760	4.680	39	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|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>}	H(C[5a]C[5a]N[5a])	125.2633	1.368	3	125.2760	4.680	39	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|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>}	H(C[5a]C[5a]N[5a])	125.9875	0.110	2	125.2760	4.680	39	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){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>}	H(C[5a]C[5a]N[5a])	125.5855	1.872	26	125.2760	4.680	39	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){4|C<3>}	H(C[5a]C[5a]N[5a])	126.1447	0.275	3	126.1447	0.076	3	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(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]){3|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	126.1440	0.000	1	125.8171	1.347	18	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,3|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>}	H(C[5a]C[5a]N[5a])	125.6773	1.414	12	125.8171	1.347	18	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,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>}	H(C[5a]C[5a]N[5a])	126.3270	0.132	2	125.8171	1.347	18	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,2|C<4>,3|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>}	H(C[5a]C[5a]N[5a])	125.9273	0.023	3	125.8171	1.347	18	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(H){1|H<1>,5|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>}	H(C[5a]C[5a]N[5a])	126.2080	0.000	1	126.2080	0.000	1	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H){1|H<1>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	127.4680	0.208	2	127.4680	0.043	2	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Br<1>,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>}	H(C[5a]C[5a]N[5a])	126.3050	0.000	1	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<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<3>,2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.5607	0.089	3	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<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>}	H(C[5a]C[5a]N[5a])	126.2830	0.000	1	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,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>}	H(C[5a]C[5a]N[5a])	126.5050	0.000	1	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,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>}	H(C[5a]C[5a]N[5a])	126.5370	0.000	1	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,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>}	H(C[5a]C[5a]N[5a])	125.7860	0.000	1	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,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>,4|H<1>}	H(C[5a]C[5a]N[5a])	126.2540	0.000	1	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,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>}	H(C[5a]C[5a]N[5a])	126.2565	0.083	2	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,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>}	H(C[5a]C[5a]N[5a])	125.8835	1.891	13	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,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>}	H(C[5a]C[5a]N[5a])	125.6250	0.000	1	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,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>}	H(C[5a]C[5a]N[5a])	126.1330	0.000	1	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	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>}	H(C[5a]C[5a]N[5a])	126.4460	0.000	1	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,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>}	H(C[5a]C[5a]N[5a])	126.5281	0.478	17	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,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>}	H(C[5a]C[5a]N[5a])	126.9510	0.000	1	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,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>}	H(C[5a]C[5a]N[5a])	126.5335	0.443	2	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,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>}	H(C[5a]C[5a]N[5a])	126.4720	0.049	2	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,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>}	H(C[5a]C[5a]N[5a])	126.4670	0.000	1	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,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>,2|H<1>,2|N<3>}	H(C[5a]C[5a]N[5a])	126.5530	0.000	1	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){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>}	H(C[5a]C[5a]N[5a])	126.1334	0.240	8	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){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>}	H(C[5a]C[5a]N[5a])	126.3440	0.000	1	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){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>}	H(C[5a]C[5a]N[5a])	125.8770	0.000	1	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){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>}	H(C[5a]C[5a]N[5a])	126.4131	0.174	8	126.2914	0.777	69	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	126.4425	0.023	2	125.2305	7.562	8	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.4586	3.352	5	125.2305	7.562	8	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	126.6660	0.000	1	125.2305	7.562	8	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H){1|H<1>,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>}	H(C[5a]C[5a]N[5a])	126.7460	0.000	1	126.7460	0.000	1	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(H){3|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>}	H(C[5a]C[5a]N[5a])	126.2580	0.165	2	126.2580	0.027	2	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|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>}	H(C[5a]C[5a]N[5a])	127.2930	0.280	4	126.1124	6.229	62	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){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>}	H(C[5a]C[5a]N[5a])	127.6630	0.000	1	126.1124	6.229	62	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){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>}	H(C[5a]C[5a]N[5a])	124.3880	4.980	3	126.1124	6.229	62	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){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>,3|C<3>}	H(C[5a]C[5a]N[5a])	127.2793	0.223	3	126.1124	6.229	62	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){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>}	H(C[5a]C[5a]N[5a])	126.8677	1.578	31	126.1124	6.229	62	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){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>}	H(C[5a]C[5a]N[5a])	127.1680	0.000	1	126.1124	6.229	62	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){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>}	H(C[5a]C[5a]N[5a])	127.5430	0.000	1	126.1124	6.229	62	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	127.7370	0.000	1	126.1124	6.229	62	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){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>}	H(C[5a]C[5a]N[5a])	124.2226	3.063	17	126.1124	6.229	62	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	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>}	H(C[5a]C[5a]N[5a])	127.2225	0.233	2	127.3648	0.032	6	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|Fe<10>,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>}	H(C[5a]C[5a]N[5a])	127.4580	0.074	2	127.3648	0.032	6	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|P<4>,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>}	H(C[5a]C[5a]N[5a])	127.4140	0.190	2	127.3648	0.032	6	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){1|H<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<4>,2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	127.6720	0.000	1	127.5885	0.039	6	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){1|N<3>,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>}	H(C[5a]C[5a]N[5a])	127.8670	0.000	1	127.5885	0.039	6	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){1|O<2>,2|C<3>,2|C<4>}	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>}	H(C[5a]C[5a]N[5a])	127.6285	0.088	2	127.5885	0.039	6	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	127.3675	0.018	2	127.5885	0.039	6	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){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>}	H(C[5a]C[5a]N[5a])	128.4390	0.000	1	127.6585	0.107	13	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){2|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>}	H(C[5a]C[5a]N[5a])	127.7275	0.415	2	127.6585	0.107	13	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){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>}	H(C[5a]C[5a]N[5a])	127.6853	0.368	3	127.6585	0.107	13	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){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>}	H(C[5a]C[5a]N[5a])	127.5159	0.117	7	127.6585	0.107	13	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){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>}	H(C[5a]C[5a]N[5a])	127.3370	0.000	1	126.4616	4.501	8	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){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>}	H(C[5a]C[5a]N[5a])	127.2845	0.111	2	126.4616	4.501	8	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){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>}	H(C[5a]C[5a]N[5a])	125.9574	2.651	5	126.4616	4.501	8	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P[5])(H){1|O<1>,4|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>}	H(C[5a]C[5a]N[5a])	127.5505	0.083	2	127.5505	0.007	2	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(H){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>}	H(C[5a]C[5a]N[5a])	126.8170	0.000	1	126.8170	0.000	1	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){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>}	H(C[5a]C[5a]N[5a])	126.2000	0.000	1	125.8873	2.102	9	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){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>}	H(C[5a]C[5a]N[5a])	126.8320	0.000	1	125.8873	2.102	9	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	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>}	H(C[5a]C[5a]N[5a])	123.3970	0.000	1	125.8873	2.102	9	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){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>}	H(C[5a]C[5a]N[5a])	127.0320	0.000	1	125.8873	2.102	9	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|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>}	H(C[5a]C[5a]N[5a])	126.7630	0.000	1	125.8873	2.102	9	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){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|C<4>}	H(C[5a]C[5a]N[5a])	126.8080	0.000	1	125.8873	2.102	9	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){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>}	H(C[5a]C[5a]N[5a])	125.3180	1.692	3	125.8873	2.102	9	126.1413	3.441	251	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	126.7234	0.300	7	126.7234	0.090	7	126.7234	0.090	7	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	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>}	H(C[5a]C[5a]N[5a])	127.0295	0.100	2	127.0295	0.010	2	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|N<2>}	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>}	H(C[5a]C[5a]N[5a])	126.5130	0.000	1	123.3503	14.589	4	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	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>}	H(C[5a]C[5a]N[5a])	126.7870	0.000	1	123.3503	14.589	4	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	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>}	H(C[5a]C[5a]N[5a])	119.7550	0.000	1	123.3503	14.589	4	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<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>}	H(C[5a]C[5a]N[5a])	120.3460	0.000	1	123.3503	14.589	4	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,2|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>}	H(C[5a]C[5a]N[5a])	126.5950	0.000	1	126.6930	0.019	2	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,2|C<3>,2|N<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>}	H(C[5a]C[5a]N[5a])	126.7910	0.000	1	126.6930	0.019	2	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<3>,1|H<1>,1|N<2>,2|N<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>}	H(C[5a]C[5a]N[5a])	126.5500	0.413	2	126.6200	0.100	3	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	126.7600	0.000	1	126.6200	0.100	3	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	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>}	H(C[5a]C[5a]N[5a])	127.2370	0.086	2	127.2370	0.007	2	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,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>}	H(C[5a]C[5a]N[5a])	126.3222	0.063	4	126.3222	0.004	4	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|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>}	H(C[5a]C[5a]N[5a])	125.4944	2.422	5	125.7873	4.166	7	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){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>}	H(C[5a]C[5a]N[5a])	126.5195	0.166	2	125.7873	4.166	7	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	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>}	H(C[5a]C[5a]N[5a])	119.0780	0.000	1	124.4787	9.538	69	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|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>}	H(C[5a]C[5a]N[5a])	119.5380	0.000	1	124.4787	9.538	69	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|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>}	H(C[5a]C[5a]N[5a])	125.8453	1.297	6	124.4787	9.538	69	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	124.2109	3.275	46	124.4787	9.538	69	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	126.6540	0.222	2	124.4787	9.538	69	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	H(C[5a]C[5a]N[5a])	121.0217	0.940	3	124.4787	9.538	69	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<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>}	H(C[5a]C[5a]N[5a])	126.4353	0.168	6	124.4787	9.538	69	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){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>}	H(C[5a]C[5a]N[5a])	126.6643	0.103	4	124.4787	9.538	69	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(H){1|C<3>,1|H<1>,1|N<2>}	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>}	H(C[5a]C[5a]N[5a])	126.9010	0.000	1	126.9010	0.000	1	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H){1|C<3>,1|H<1>,1|N<2>}	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>}	H(C[5a]C[5a]N[5a])	125.0033	3.629	3	125.0033	13.172	3	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	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>}	H(C[5a]C[5a]N[5a])	127.4520	0.000	1	127.4520	0.000	1	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	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>}	H(C[5a]C[5a]N[5a])	127.7400	0.000	1	127.7400	0.000	1	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|Fe<10>,1|C<3>,1|N<2>,2|C<4>}	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>}	H(C[5a]C[5a]N[5a])	127.6390	0.000	1	127.6390	0.000	1	124.9475	8.491	100	126.0012	5.088	543	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C[6])(H)	N[5a](C[5a]C[5,5a]H)2(C[6]C[6]2)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C[6])(H){1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a]C[5,5a]H)2(C[6]C[6]2){2|C<2>,2|H<1>,2|S<2>}	H(C[5a]C[5,5a]N[5a])	118.5865	4.252	2	118.5865	18.078	2	118.5865	18.078	2	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]2)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(H){1|O<1>,5|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>}	H(C[5a]C[5,5a]N[5a])	125.9460	0.000	1	125.9460	0.000	1	126.1537	0.637	20	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C[6a])(H){2|C<3>,2|C<4>,3|H<1>}	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5,5a]N[5a])	126.4335	0.035	2	126.4335	0.001	2	126.1537	0.637	20	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5,5a]H)2(C[6a]C[6a]2)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C[6a])(H){1|H<1>,1|S<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>}	H(C[5a]C[5,5a]N[5a])	126.1331	0.862	17	126.1331	0.743	17	126.1537	0.637	20	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(COO)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(COO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a,6]N[5a])	125.1655	0.163	2	125.1655	0.027	2	125.1655	0.027	2	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6])(H)	N[5a](C[5a]N[5a,6]Re)(C[5a]C[5a,6]H)(C[6]C[6]N[6])	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6])(H){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]N[5a,6]Re)(C[5a]C[5a,6]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	H(C[5a]C[5a,6]N[5a])	127.1170	0.168	2	127.1170	0.028	2	127.1170	0.028	2	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]N[5a,6]Ir)(C[5a]C[5a,6]H)(C[6a]C[6a]2)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|Ir<6>,1|H<1>,4|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>}	H(C[5a]C[5a,6]N[5a])	126.4988	0.379	5	126.4988	0.144	5	126.4922	0.078	9	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]N[5a,6]Pd)(C[5a]C[5a,6]H)(C[6a]C[6a]2)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|Pd<4>,1|H<1>,4|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>}	H(C[5a]C[5a,6]N[5a])	126.4840	0.123	4	126.4840	0.015	4	126.4922	0.078	9	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]N[5])(H)	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(N[5]C[5]2)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]N[5])(H){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(N[5]C[5]2){2|C<4>,2|H<1>,4|C<3>}	H(C[5a]C[5a,6]N[5a])	127.4290	0.000	1	127.4290	0.000	1	127.4290	0.000	1	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|N<2>,2|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>}	H(C[5a]C[5a,6]N[5a])	126.3170	0.000	1	126.3170	0.000	1	126.3170	0.000	1	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[5a]-3:H-1:	Se[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]Se[5a,5a]C[6a])(H)	N[5a](Se[5a,5a]N[5a,5a,6]N[5a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]Se[5a,5a]C[6a])(H){1|H<1>,1|N<3>,4|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>}	H(C[5a]C[5a,6]N[5a])	123.3130	0.000	1	123.3130	0.000	1	123.3130	0.000	1	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(H){1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a]C[5a]H)(COO){1|N<2>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.3100	0.000	1	124.3100	0.000	1	124.2500	0.007	2	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(H){1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a]C[5a]H)(COO){1|N<2>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.1900	0.000	1	124.1900	0.000	1	124.2500	0.007	2	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]C[3,6])(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[3,6])(C[5a]C[5a]H)(COO){1|H<1>,4|C<4>}	H(C[5a]C[5a]N[5a])	125.6370	0.000	1	125.6370	0.000	1	125.2147	0.144	3	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCN){1|Pd<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.0035	0.144	2	125.0035	0.021	2	125.2147	0.144	3	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(H){1|C<4>,5|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>}	H(C[5a]C[5a]N[5a])	125.1930	0.000	1	125.1930	0.000	1	125.1930	0.000	1	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]B)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]B)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	121.6740	0.000	1	121.6740	0.000	1	122.4290	5.269	4	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	119.5190	0.000	1	119.5190	0.000	1	122.4290	5.269	4	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.4260	0.000	1	124.2615	0.054	2	122.4290	5.269	4	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.0970	0.000	1	124.2615	0.054	2	122.4290	5.269	4	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCC){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.8060	0.000	1	124.8060	0.000	1	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.4130	0.000	1	124.5930	0.065	2	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.7730	0.000	1	124.5930	0.065	2	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	120.0190	0.877	3	122.9300	6.068	8	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.6766	0.255	5	122.9300	6.068	8	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5]H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5]H){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	119.3870	0.000	1	119.3870	0.000	1	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.7852	0.083	5	124.7852	0.007	5	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.8298	0.322	13	124.8994	0.102	17	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.1255	0.200	4	124.8994	0.102	17	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9430	0.000	1	124.9430	0.000	1	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6,6])(N[5a]C[5a,6a]C)(H){2|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.7640	0.035	2	124.7640	0.001	2	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9740	0.000	1	124.4580	0.262	4	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.8190	0.000	1	124.4580	0.262	4	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|S<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.0195	0.074	2	124.4580	0.262	4	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.7725	0.077	2	124.7725	0.006	2	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.6140	0.000	1	124.6140	0.000	1	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.2130	0.000	1	125.2130	0.000	1	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCN){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.7910	0.000	1	124.7910	0.000	1	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.6655	0.019	2	124.7323	1.965	15	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.1809	0.086	11	124.7323	1.965	15	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	122.3315	3.700	2	124.7323	1.965	15	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[4]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[4]O){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.0970	0.000	1	125.0970	0.000	1	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]O){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.1650	0.076	2	125.1650	0.006	2	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]C[5])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]C[5]){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.1510	0.057	2	125.1510	0.003	2	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.0793	0.220	4	125.0793	0.049	4	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHN){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.9770	0.000	1	124.9770	0.000	1	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CNO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CNO){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.0830	0.000	1	125.0830	0.000	1	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9610	0.000	1	125.0390	0.014	4	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,1|O<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.1390	0.028	2	125.0390	0.014	4	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.9170	0.000	1	125.0390	0.014	4	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.1570	0.000	1	125.1570	0.000	1	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,1|O<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.5883	0.301	3	125.5883	0.091	3	124.6209	1.669	80	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H){1|N<2>,5|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>}	H(C[5a]C[5a]N[5a])	124.5760	0.000	1	124.3896	0.020	8	124.3896	0.020	8	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(H){1|N<2>,5|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>}	H(C[5a]C[5a]N[5a])	124.3630	0.131	7	124.3896	0.020	8	124.3896	0.020	8	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6]H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6]H){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.1570	0.000	1	125.1570	0.000	1	125.2650	0.017	3	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(NCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(NCH){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.3190	0.132	2	125.3190	0.017	2	125.2650	0.017	3	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCC){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.2060	0.000	1	124.2060	0.000	1	124.1367	0.007	3	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2){1|H<1>,1|P<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.1020	0.088	2	124.1020	0.008	2	124.1367	0.007	3	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]Si)(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(H){1|Br<1>,1|Si<4>}	N[5a](C[5a]C[5a]Si)(C[5a]C[5a]H)(COO){2|Br<1>}	H(C[5a]C[5a]N[5a])	122.1950	0.000	1	122.1950	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(COO){2|C<4>}	H(C[5a]C[5a]N[5a])	125.9180	0.085	3	125.9180	0.007	3	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)2(CCO){2|C<3>}	H(C[5a]C[5a]N[5a])	121.0045	3.560	2	121.0045	12.676	2	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]Sn)(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|Sn<4>,3|C<3>}	N[5a](C[5a]C[5a]Sn)(C[5a]C[5a]H)(COO){2|C<3>}	H(C[5a]C[5a]N[5a])	119.2860	0.000	1	119.2860	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]B)(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|B<3>,1|H<1>}	N[5a](C[5a]C[5a]B)(C[5a]C[5a]H)(COO){2|H<1>}	H(C[5a]C[5a]N[5a])	118.1975	1.293	2	118.1975	1.673	2	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCO){2|H<1>}	H(C[5a]C[5a]N[5a])	125.5410	0.000	1	125.5410	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]C)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.8080	0.000	1	125.8080	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O){2|H<1>}	H(C[5a]C[5a]N[5a])	125.7180	0.000	1	125.3460	0.277	2	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O){2|H<1>}	H(C[5a]C[5a]N[5a])	124.9740	0.000	1	125.3460	0.277	2	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.8970	0.000	1	125.5962	0.137	4	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO){2|H<1>}	H(C[5a]C[5a]N[5a])	125.0920	0.000	1	125.5962	0.137	4	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CNO){2|H<1>}	H(C[5a]C[5a]N[5a])	125.6980	0.211	2	125.5962	0.137	4	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO){2|H<1>}	H(C[5a]C[5a]N[5a])	125.7150	0.219	2	125.8882	0.039	5	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(COO){2|H<1>}	H(C[5a]C[5a]N[5a])	126.0037	0.065	3	125.8882	0.039	5	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CNO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CNO){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.8430	0.000	1	125.8430	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.9890	0.015	3	125.9890	0.000	3	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(CCH){2|H<1>}	H(C[5a]C[5a]N[5a])	125.8063	0.047	3	125.8063	0.002	3	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CCN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(CCN){2|H<1>}	H(C[5a]C[5a]N[5a])	125.7922	0.332	4	125.7922	0.110	4	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(CCO){2|H<1>}	H(C[5a]C[5a]N[5a])	123.7683	2.865	9	123.7683	8.206	9	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a]I)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]I)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,1|I<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	126.1670	0.000	1	126.1670	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CNO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|O<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CNO){2|C<3>}	H(C[5a]C[5a]N[5a])	125.3930	0.000	1	125.3930	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO){1|C<3>}	H(C[5a]C[5a]N[5a])	126.9740	0.000	1	127.0850	0.025	2	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO){1|C<4>}	H(C[5a]C[5a]N[5a])	127.1960	0.000	1	127.0850	0.025	2	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCH){1|H<1>}	H(C[5a]C[5a]N[5a])	126.8655	0.415	2	126.8655	0.172	2	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O){1|H<1>}	H(C[5a]C[5a]N[5a])	122.1490	0.000	1	122.1490	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CNN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CNN){1|H<1>}	H(C[5a]C[5a]N[5a])	127.3550	0.000	1	127.3550	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(COO){1|H<1>}	H(C[5a]C[5a]N[5a])	126.9610	0.104	3	126.9610	0.011	3	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCC){1|H<1>}	H(C[5a]C[5a]N[5a])	127.2575	0.090	2	127.2575	0.008	2	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCF)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCF){1|H<1>}	H(C[5a]C[5a]N[5a])	127.3000	0.000	1	127.3000	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCN){1|H<1>}	H(C[5a]C[5a]N[5a])	127.1110	0.178	2	127.1110	0.032	2	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCO){1|H<1>}	H(C[5a]C[5a]N[5a])	124.3835	4.463	2	124.3835	19.914	2	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[3]C)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[3]C){1|H<1>}	H(C[5a]C[5a]N[5a])	127.3420	0.000	1	127.3420	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]C)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]C){1|H<1>}	H(C[5a]C[5a]N[5a])	127.1640	0.044	2	127.1640	0.002	2	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O){1|H<1>}	H(C[5a]C[5a]N[5a])	127.2235	0.071	2	127.2235	0.005	2	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CNN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CNN){1|H<1>}	H(C[5a]C[5a]N[5a])	127.0362	0.161	5	127.0362	0.026	5	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CNO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CNO){1|H<1>}	H(C[5a]C[5a]N[5a])	126.9830	0.000	1	126.9830	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]C)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]C){1|H<1>}	H(C[5a]C[5a]N[5a])	126.1290	0.000	1	126.1290	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[6]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[6]O){1|H<1>}	H(C[5a]C[5a]N[5a])	127.0370	0.000	1	127.0370	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COO){1|H<1>}	H(C[5a]C[5a]N[5a])	127.4038	0.196	4	127.4038	0.038	4	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COS)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(COS){1|H<1>}	H(C[5a]C[5a]N[5a])	127.1620	0.000	1	127.1620	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CCO){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.9875	0.377	2	125.9875	0.142	2	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CCH){1|H<1>}	H(C[5a]C[5a]N[5a])	126.9450	0.303	2	126.9450	0.092	2	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|S<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CHH){1|H<1>}	H(C[5a]C[5a]N[5a])	119.6085	3.398	2	119.6085	11.544	2	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCO){1|H<1>,1|N<2>,1|N<3>}	H(C[5a]C[5a]N[5a])	124.9960	0.000	1	124.9960	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.1090	0.000	1	123.1090	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]Ir)(C[5a]C[5a]H)(CCN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Ir<8>}	N[5a](C[5a]N[5a]Ir)(C[5a]C[5a]H)(CCN){1|H<1>}	H(C[5a]C[5a]N[5a])	126.9980	0.000	1	126.9980	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCC){1|N<3>}	H(C[5a]C[5a]N[5a])	127.2454	1.237	5	127.2454	1.530	5	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(H){1|Cd<4>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHH){1|Cd<4>,1|O<1>}	H(C[5a]C[5a]N[5a])	113.6510	0.000	1	113.6510	0.000	1	125.4060	7.384	93	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]2)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2{3|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	125.6650	0.000	1	125.6650	0.000	1	125.6256	4.406	46	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]2)(H)	N[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]2)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)2{1|B<4>,2|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.4080	0.081	2	125.4080	0.006	2	125.6256	4.406	46	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]O)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H){1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]C[5a]O){1|Cu<5>,2|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.2220	0.105	2	125.2220	0.011	2	125.6256	4.406	46	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	126.0678	0.156	8	126.0704	0.021	9	125.6256	4.406	46	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)2{3|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	126.0920	0.000	1	126.0704	0.021	9	125.6256	4.406	46	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)2{1|C<2>,1|C<3>,1|N<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.2780	0.190	2	126.1583	0.034	4	125.6256	4.406	46	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.0385	0.086	2	126.1583	0.034	4	125.6256	4.406	46	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H)	N[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]N[5a,6]C[5a])(C[5a]C[5a]H)2{1|B<4>,2|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.8375	0.210	2	125.8375	0.044	2	125.6256	4.406	46	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H)	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H){1|N<2>,1|S<2>,2|H<1>}	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)2{2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	122.3782	4.230	4	122.3782	17.897	4	125.6256	4.406	46	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]2)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]2)(H){1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]2){1|N<2>,5|C<3>}	H(C[5a]C[5a]N[5a])	127.0110	0.000	1	127.0110	0.000	1	125.6256	4.406	46	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|Br<1>,1|C<3>,1|S<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.7100	0.000	1	126.8625	0.047	2	125.6256	4.406	46	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	127.0150	0.000	1	126.8625	0.047	2	125.6256	4.406	46	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H){1|C<3>,1|H<1>,1|S<2>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[5a]C[5a]N[5a])	127.4560	0.000	1	126.2330	4.093	17	125.6256	4.406	46	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H){1|C<3>,1|H<1>,1|S<2>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.1566	2.064	16	126.2330	4.093	17	125.6256	4.406	46	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H)	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]2)(H){1|H<1>,1|N<2>,1|S<2>}	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	122.8040	0.000	1	122.8040	0.000	1	125.6256	4.406	46	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]C)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]2)(H){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	H(C[5a]C[5a]N[5a])	121.8980	0.000	1	121.8980	0.000	1	125.6256	4.406	46	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|C<4>,5|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>}	H(C[5a]C[5a]N[5a])	124.0522	2.742	5	124.0522	7.518	5	124.8247	2.513	15	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|H<1>,5|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>}	H(C[5a]C[5a]N[5a])	125.4205	0.149	2	125.4205	0.022	2	124.8247	2.513	15	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){2|N<3>,4|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>}	H(C[5a]C[5a]N[5a])	124.9017	0.187	3	124.9017	0.035	3	124.8247	2.513	15	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|S<2>,5|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>}	H(C[5a]C[5a]N[5a])	125.1660	0.206	2	125.1660	0.043	2	124.8247	2.513	15	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	125.4103	0.033	3	125.4103	0.001	3	124.8247	2.513	15	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(NCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(NCC){1|C<3>,1|N<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.1555	0.097	8	126.1555	0.009	8	126.3452	0.470	11	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(NCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]N)(H){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(NCH){2|C<4>}	H(C[5a]C[5a]N[5a])	126.0820	0.182	2	126.0820	0.033	2	126.3452	0.470	11	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(NCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]N)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(NCH){1|N<3>}	H(C[5a]C[5a]N[5a])	128.3890	0.000	1	128.3890	0.000	1	126.3452	0.470	11	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H){1|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PCC){1|H<1>}	H(C[5a]C[5a]N[5a])	126.5840	0.000	1	126.2705	0.197	2	126.4740	0.223	3	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H){1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PCC){1|H<1>}	H(C[5a]C[5a]N[5a])	125.9570	0.000	1	126.2705	0.197	2	126.4740	0.223	3	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H){1|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]2){1|H<1>}	H(C[5a]C[5a]N[5a])	126.8810	0.000	1	126.8810	0.000	1	126.4740	0.223	3	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]N[5])(H)	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(N[5]C[5]2)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]N[5])(H){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(N[5]C[5]2){2|C<4>,2|H<1>,4|C<3>}	H(C[5a]N[5a,6]N[5a])	126.5670	0.000	1	126.5670	0.000	1	126.5670	0.000	1	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a,6]-3:N[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]H)(C[5a]N[5a,6]H)	H(C[5a]N[5a,6]N[5a])	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|N<2>,2|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>}	H(C[5a]N[5a,6]N[5a])	125.8440	0.000	1	125.8440	0.000	1	125.8440	0.000	1	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a,6]C[6a])(C[5a]N[5a,6]H)(H)	N[5a](B[5a,6]N[5a,6]Si[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a,6]C[6a])(C[5a]N[5a,6]H)(H){1|Si<4>,3|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>}	H(C[5a]C[5a]N[5a])	125.1270	0.000	1	125.1270	0.000	1	125.1270	0.000	1	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|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>}	H(C[5a]C[5a]N[5a])	125.2790	0.042	4	125.2790	0.002	4	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Al)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Al<4>,3|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>}	H(C[5a]C[5a]N[5a])	120.9470	0.035	2	120.9470	0.001	2	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Be)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Be<3>,3|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>}	H(C[5a]C[5a]N[5a])	125.3785	0.248	4	125.3785	0.062	4	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Br)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Br<1>,3|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>}	H(C[5a]C[5a]N[5a])	124.9880	0.082	4	124.9880	0.007	4	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,3|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>}	H(C[5a]C[5a]N[5a])	124.7322	1.547	10	124.7616	1.055	48	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){4|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>}	H(C[5a]C[5a]N[5a])	124.7694	0.871	38	124.7616	1.055	48	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,3|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>}	H(C[5a]C[5a]N[5a])	120.7955	2.188	2	120.7955	4.790	2	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Fe)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Fe<8>,3|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>}	H(C[5a]C[5a]N[5a])	124.6845	1.132	2	124.6845	1.282	2	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ga<3>,3|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>}	H(C[5a]C[5a]N[5a])	125.4085	0.195	4	123.9995	5.094	10	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ga)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ga<4>,3|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>}	H(C[5a]C[5a]N[5a])	123.0602	2.549	6	123.9995	5.094	10	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<2>,3|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>}	H(C[5a]C[5a]N[5a])	125.4075	0.333	2	125.0027	0.606	12	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<3>,3|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>}	H(C[5a]C[5a]N[5a])	124.7914	0.885	8	125.0027	0.606	12	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Ge)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Ge<4>,3|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>}	H(C[5a]C[5a]N[5a])	125.4435	0.022	2	125.0027	0.606	12	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]I)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|I<1>,3|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>}	H(C[5a]C[5a]N[5a])	125.3015	0.160	4	125.3015	0.026	4	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]In)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|In<3>,3|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>}	H(C[5a]C[5a]N[5a])	125.3640	0.104	4	125.3640	0.011	4	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Li)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Li<3>,3|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>}	H(C[5a]C[5a]N[5a])	125.6285	0.066	4	125.6285	0.004	4	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Mn)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Mn<4>,3|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>}	H(C[5a]C[5a]N[5a])	125.5100	0.004	2	124.8820	1.183	3	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Mn)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Mn<6>,3|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>}	H(C[5a]C[5a]N[5a])	123.6260	0.000	1	124.8820	1.183	3	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<2>,3|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>}	H(C[5a]C[5a]N[5a])	123.0298	2.438	4	124.5603	2.762	28	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|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>}	H(C[5a]C[5a]N[5a])	124.8154	1.412	24	124.5603	2.762	28	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[4])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|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>}	H(C[5a]C[5a]N[5a])	121.9700	1.085	2	121.9700	1.177	2	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|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>}	H(C[5a]C[5a]N[5a])	125.0765	0.148	4	125.0765	0.022	4	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|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>}	H(C[5a]C[5a]N[5a])	125.1750	0.076	3	125.1317	0.007	6	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|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>}	H(C[5a]C[5a]N[5a])	125.0883	0.080	3	125.1317	0.007	6	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|O<2>,3|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>}	H(C[5a]C[5a]N[5a])	125.2700	0.243	4	125.2783	0.069	6	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]O)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|O<3>,3|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>}	H(C[5a]C[5a]N[5a])	125.2950	0.412	2	125.2783	0.069	6	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<2>,3|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>}	H(C[5a]C[5a]N[5a])	125.3066	0.186	7	125.3069	0.026	11	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]P)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,3|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>}	H(C[5a]C[5a]N[5a])	125.3075	0.134	4	125.3069	0.026	11	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]P[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,3|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>}	H(C[5a]C[5a]N[5a])	125.3197	0.292	4	125.3197	0.085	4	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Re)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Re<6>,3|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>}	H(C[5a]C[5a]N[5a])	129.0540	0.000	1	129.0540	0.000	1	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Sc)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sc<9>,3|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>}	H(C[5a]C[5a]N[5a])	125.4230	0.570	2	125.4230	0.325	2	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Si<2>,3|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>}	H(C[5a]C[5a]N[5a])	125.2920	0.356	2	124.1488	0.895	6	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Si)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Si<4>,3|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>}	H(C[5a]C[5a]N[5a])	123.5772	0.379	4	124.1488	0.895	6	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sn<2>,3|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>}	H(C[5a]C[5a]N[5a])	124.4313	1.089	4	124.1790	0.954	22	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sn<3>,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>}	H(C[5a]C[5a]N[5a])	123.8220	0.000	1	124.1790	0.954	22	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sn<3>,3|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>}	H(C[5a]C[5a]N[5a])	123.6513	0.514	3	124.1790	0.954	22	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Sn)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|Sn<4>,3|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>}	H(C[5a]C[5a]N[5a])	124.2454	1.062	14	124.1790	0.954	22	124.6904	1.753	195	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)(H)	N[5a](C[5]C[5]N[5])(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5]C[5]N[5])(C[5a]C[5a]H)2{2|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.4630	0.000	1	125.4630	0.000	1	125.7120	0.114	3	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5]N[5])(C[5a]C[5a]2)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|N<2>,3|C<3>}	N[5a](C[5]C[5]N[5])(C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	H(C[5a]C[5a]N[5a])	125.5760	0.000	1	125.5760	0.000	1	125.7120	0.114	3	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5]N[5])(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5]C[5]N[5])(C[5a]C[5a]H)2{2|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	126.0970	0.000	1	126.0970	0.000	1	125.7120	0.114	3	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6]C[6]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6]C[6])(C[5a]C[5a,6]H)(H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6]C[6]2){1|Cu<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.8520	0.297	2	124.8520	0.088	2	124.8520	0.088	2	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){2|C<3>,2|C<4>}	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>}	H(C[5a]C[5a]N[5a])	125.7380	0.000	1	125.7380	0.000	1	125.0285	0.118	11	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){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>}	H(C[5a]C[5a]N[5a])	124.9848	0.194	4	124.9575	0.069	10	125.0285	0.118	11	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){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>,3|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	124.8500	0.653	2	124.9575	0.069	10	125.0285	0.118	11	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){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>}	H(C[5a]C[5a]N[5a])	125.0775	0.033	2	124.9575	0.069	10	125.0285	0.118	11	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){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>}	H(C[5a]C[5a]N[5a])	124.8905	0.142	2	124.9575	0.069	10	125.0285	0.118	11	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6]C[6])(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6]C[6]N[6])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6]C[6])(C[5a]C[5a,6]H)(H){2|C<3>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6]C[6]N[6])(C[5a]C[5a]H){1|Pt<4>,2|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	125.5140	0.000	1	125.5140	0.000	1	125.5140	0.000	1	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(H){1|N<2>,1|N<3>,2|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>}	H(C[5a]C[5a]N[5a])	122.6880	2.311	5	122.6880	5.339	5	122.6880	5.339	5	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5a]C[5a]N[5a])	124.7185	0.161	2	124.7177	0.013	3	124.7177	0.013	3	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	124.7160	0.000	1	124.7177	0.013	3	124.7177	0.013	3	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	125.1563	0.142	3	125.1563	0.020	3	125.1563	0.020	3	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|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>}	H(C[5a]C[5a]N[5a])	124.6810	0.000	1	124.6810	0.000	1	124.0089	5.749	23	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){1|N<2>,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>}	H(C[5a]C[5a]N[5a])	125.0940	0.366	4	123.3018	8.638	10	124.0089	5.749	23	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){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<2>,1|C<4>,2|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	117.7930	0.216	2	123.3018	8.638	10	124.0089	5.749	23	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){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>}	H(C[5a]C[5a]N[5a])	124.3560	0.000	1	123.3018	8.638	10	124.0089	5.749	23	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|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>}	H(C[5a]C[5a]N[5a])	124.1520	0.000	2	123.3018	8.638	10	124.0089	5.749	23	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|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>}	H(C[5a]C[5a]N[5a])	124.3960	0.000	1	123.3018	8.638	10	124.0089	5.749	23	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	124.5960	0.105	2	124.5960	0.011	2	124.0089	5.749	23	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){1|N<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|C<4>,2|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	126.1370	0.000	1	126.1370	0.000	1	124.0089	5.749	23	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){4|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>}	H(C[5a]C[5a]N[5a])	125.3915	0.114	2	125.3915	0.013	2	124.0089	5.749	23	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){4|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>}	H(C[5a]C[5a]N[5a])	118.6580	0.000	1	123.4110	10.069	4	124.0089	5.749	23	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){4|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>}	H(C[5a]C[5a]N[5a])	124.9953	0.208	3	123.4110	10.069	4	124.0089	5.749	23	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2){2|C<3>,2|H<1>,2|N<2>}	H(C[5a]C[5a]N[5a])	125.1770	0.000	1	125.1770	0.000	1	124.0089	5.749	23	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<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|C<4>,2|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	124.8620	0.000	1	124.7865	0.011	2	124.0089	5.749	23	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<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>}	H(C[5a]C[5a]N[5a])	124.7110	0.000	1	124.7865	0.011	2	124.0089	5.749	23	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	H(C[5a]C[5a]N[5a])	125.4420	0.119	2	125.4420	0.014	2	125.4420	0.014	2	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,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)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|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>}	H(C[5a]C[5a]N[5a])	122.0320	0.000	1	123.0510	0.787	3	124.1535	2.619	17	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,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)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|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>}	H(C[5a]C[5a]N[5a])	123.5605	0.129	2	123.0510	0.787	3	124.1535	2.619	17	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){1|N<2>,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>}	H(C[5a]C[5a]N[5a])	124.6660	0.000	1	124.6660	0.000	1	124.1535	2.619	17	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	125.0240	0.030	2	125.0240	0.001	2	124.1535	2.619	17	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,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)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){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>}	H(C[5a]C[5a]N[5a])	125.0350	0.000	2	125.0350	0.000	2	124.1535	2.619	17	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<2>,3|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>}	H(C[5a]C[5a]N[5a])	125.1470	0.000	1	124.9490	0.078	2	124.1535	2.619	17	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<2>,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>}	H(C[5a]C[5a]N[5a])	124.7510	0.000	1	124.9490	0.078	2	124.1535	2.619	17	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){1|N<3>,3|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>}	H(C[5a]C[5a]N[5a])	124.9670	0.000	1	124.9670	0.000	1	124.1535	2.619	17	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(H){2|C<3>,2|N<2>}	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>}	H(C[5a]C[5a]N[5a])	123.6347	2.438	6	123.6347	5.944	6	124.1535	2.619	17	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]N[5])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]N[5])(C[5a]C[5a,6a]H)(H){1|B<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H){3|H<1>,6|C<3>}	H(C[5a]C[5a]N[5a])	125.5520	0.000	1	125.5520	0.000	1	125.5520	0.000	1	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5]C[5]N[5])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5]C[5]N[5])(C[5a]C[5a]H){1|H<1>,6|C<3>}	H(C[5a]C[5a]N[5a])	125.6940	0.000	1	125.6940	0.000	1	125.6940	0.000	1	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[5]N[5]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	N[5a](C[5a]C[5a]H)2(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>}	H(C[5a]C[5a]N[5a])	120.3440	0.371	2	120.3440	0.137	2	120.3440	0.137	2	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6]C[6]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(C[6]C[6]2){2|C<3>,4|H<1>}	H(C[5a]C[5a]N[5a])	125.9585	0.221	2	125.9585	0.049	2	126.4535	0.375	4	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]C[6]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H){1|C<2>,1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]C[6]2){1|C<2>,1|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.7300	0.000	1	126.7300	0.000	1	126.4535	0.375	4	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]N[6]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H){1|H<1>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	127.1670	0.000	1	127.1670	0.000	1	126.4535	0.375	4	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,4|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>}	H(C[5a]C[5a]N[5a])	125.6575	0.076	2	125.6575	0.006	2	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<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|N<3>,2|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.3750	0.000	1	125.4755	0.020	2	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){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>}	H(C[5a]C[5a]N[5a])	125.5760	0.000	1	125.4755	0.020	2	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,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>}	H(C[5a]C[5a]N[5a])	125.5050	0.314	2	125.4373	0.095	4	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){4|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>}	H(C[5a]C[5a]N[5a])	125.0800	0.000	1	125.4373	0.095	4	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){4|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>}	H(C[5a]C[5a]N[5a])	125.6590	0.000	1	125.4373	0.095	4	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|N<3>,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>}	H(C[5a]C[5a]N[5a])	125.4875	0.238	2	125.4875	0.057	2	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|S<2>,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>}	H(C[5a]C[5a]N[5a])	125.6010	0.000	1	125.6010	0.000	1	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.6470	0.000	1	125.6565	0.000	2	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	125.6660	0.000	1	125.6565	0.000	2	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	125.7180	0.000	1	125.7180	0.000	1	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(H)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(H){2|Cl<1>,2|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>}	H(C[5a]C[5a]N[5a])	118.7760	0.000	1	118.7760	0.000	1	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){4|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>}	H(C[5a]C[5a]N[5a])	125.5150	0.000	1	125.5150	0.000	1	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,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>}	H(C[5a]C[5a]N[5a])	125.9940	0.000	1	123.9906	7.321	7	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|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>}	H(C[5a]C[5a]N[5a])	125.5620	0.174	2	123.9906	7.321	7	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|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>}	H(C[5a]C[5a]N[5a])	125.3980	0.000	1	123.9906	7.321	7	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){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>}	H(C[5a]C[5a]N[5a])	125.3120	0.000	1	123.9906	7.321	7	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|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>}	H(C[5a]C[5a]N[5a])	120.0530	0.454	2	123.9906	7.321	7	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]N[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[6a]N[6a]2){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.7380	0.000	1	125.7380	0.000	1	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|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>}	H(C[5a]C[5a]N[5a])	126.1690	0.000	1	126.0250	0.041	2	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|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>}	H(C[5a]C[5a]N[5a])	125.8810	0.000	1	126.0250	0.041	2	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){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|N<2>,3|C<3>,4|H<1>}	H(C[5a]C[5a]N[5a])	125.3680	0.000	1	125.5198	0.052	4	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|S<4>,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>}	H(C[5a]C[5a]N[5a])	125.3280	0.000	1	125.5198	0.052	4	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){4|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>}	H(C[5a]C[5a]N[5a])	125.8260	0.000	1	125.5198	0.052	4	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){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>}	H(C[5a]C[5a]N[5a])	125.5570	0.000	1	125.5198	0.052	4	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|P<3>,2|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>}	H(C[5a]C[5a]N[5a])	121.4360	0.000	1	121.4360	0.000	1	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	125.5700	0.000	1	125.7246	0.708	42	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<3>,2|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>}	H(C[5a]C[5a]N[5a])	125.4860	0.000	1	125.7246	0.708	42	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	125.8640	0.103	2	125.7246	0.708	42	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|C<3>,4|H<1>}	H(C[5a]C[5a]N[5a])	125.5424	1.040	25	125.7246	0.708	42	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){2|Cl<1>,2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.1425	0.134	11	125.7246	0.708	42	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2){3|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	125.7605	0.105	2	125.7246	0.708	42	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]Rh)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|Rh<4>,1|S<3>,2|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>}	H(C[5a]C[5a]N[5a])	125.8840	0.000	1	125.8840	0.000	1	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]I)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]I)(H){4|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>}	H(C[5a]C[5a]N[5a])	115.6695	1.387	2	115.6695	1.923	2	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)2(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)(H){2|C<3>,2|H<1>}	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>}	H(C[5a]C[5a]N[5a])	126.3330	0.000	1	126.3330	0.000	1	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Si)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Si)(H){2|C<3>,2|N<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>}	H(C[5a]C[5a]N[5a])	124.7080	0.010	2	124.7080	0.000	2	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|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>}	H(C[5a]C[5a]N[5a])	126.5745	0.036	2	126.5745	0.001	2	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){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>}	H(C[5a]C[5a]N[5a])	126.8610	0.000	1	126.8610	0.000	1	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]B)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|B<3>,2|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>}	H(C[5a]C[5a]N[5a])	126.6210	0.000	1	126.6210	0.000	1	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,2|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>}	H(C[5a]C[5a]N[5a])	127.0250	0.000	1	126.0421	2.271	18	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){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>}	H(C[5a]C[5a]N[5a])	126.0080	2.162	9	126.0421	2.271	18	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){4|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>}	H(C[5a]C[5a]N[5a])	125.9575	0.157	8	126.0421	2.271	18	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,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<2>,3|H<1>}	H(C[5a]C[5a]N[5a])	127.0350	0.301	4	126.3992	1.947	72	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,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>}	H(C[5a]C[5a]N[5a])	126.9595	0.216	2	126.3992	1.947	72	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|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>}	H(C[5a]C[5a]N[5a])	126.3520	0.838	3	126.3992	1.947	72	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|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>}	H(C[5a]C[5a]N[5a])	126.7260	0.000	1	126.3992	1.947	72	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|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>}	H(C[5a]C[5a]N[5a])	127.4510	0.000	1	126.3992	1.947	72	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|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>}	H(C[5a]C[5a]N[5a])	125.5072	3.057	5	126.3992	1.947	72	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|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>}	H(C[5a]C[5a]N[5a])	126.3804	1.300	55	126.3992	1.947	72	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2){2|N<2>,3|H<1>}	H(C[5a]C[5a]N[5a])	126.9910	0.000	1	126.3992	1.947	72	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	127.1130	0.000	1	127.3400	0.022	9	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]N[6a]2){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	127.3684	0.129	8	127.3400	0.022	9	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|O<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>}	H(C[5a]C[5a]N[5a])	126.1955	0.244	2	126.1955	0.060	2	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,2|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>}	H(C[5a]C[5a]N[5a])	126.6150	0.000	1	126.2442	1.019	18	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,2|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>}	H(C[5a]C[5a]N[5a])	123.5260	0.000	1	126.2442	1.019	18	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<3>,2|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>}	H(C[5a]C[5a]N[5a])	126.9058	0.157	5	126.2442	1.019	18	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<4>,2|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>}	H(C[5a]C[5a]N[5a])	126.8010	0.000	1	126.2442	1.019	18	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<4>,2|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>}	H(C[5a]C[5a]N[5a])	124.9507	0.673	3	126.2442	1.019	18	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<4>,2|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>}	H(C[5a]C[5a]N[5a])	126.3670	0.423	2	126.2442	1.019	18	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|P<4>,2|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>}	H(C[5a]C[5a]N[5a])	126.6676	0.206	5	126.2442	1.019	18	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|S<1>,2|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>}	H(C[5a]C[5a]N[5a])	126.4100	0.000	1	126.8233	0.138	3	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|S<2>,2|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>}	H(C[5a]C[5a]N[5a])	127.0300	0.143	2	126.8233	0.138	3	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|Se<2>,2|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>}	H(C[5a]C[5a]N[5a])	126.9040	0.006	2	126.9040	0.000	2	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){1|C<4>,2|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>}	H(C[5a]C[5a]N[5a])	128.0110	0.000	1	123.6257	5.830	17	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){1|C<4>,2|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>}	H(C[5a]C[5a]N[5a])	122.3871	0.976	10	123.6257	5.830	17	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){1|C<4>,2|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>}	H(C[5a]C[5a]N[5a])	124.9592	2.810	6	123.6257	5.830	17	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|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>}	H(C[5a]C[5a]N[5a])	122.7200	0.000	1	122.7200	0.000	1	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){1|N<3>,2|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>}	H(C[5a]C[5a]N[5a])	127.5355	0.551	2	127.5355	0.303	2	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|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>}	H(C[5a]C[5a]N[5a])	120.9380	0.000	1	120.9380	0.000	1	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]O[5a]O)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C)(H){1|O<1>,2|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>}	H(C[5a]C[5a]N[5a])	125.9790	0.000	1	125.9790	0.000	1	125.7299	3.701	229	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(N[5]C[5]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	126.5000	0.000	1	126.5000	0.000	1	126.6821	0.092	25	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5]C[5]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.9220	0.147	4	126.6897	0.094	24	126.6821	0.092	25	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5]C[5]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(N[5]C[5]2){1|O<1>,2|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	126.5066	0.257	14	126.6897	0.094	24	126.6821	0.092	25	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5]C[5]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	H(C[5a]C[5a]N[5a])	127.0083	0.168	4	126.6897	0.094	24	126.6821	0.092	25	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a]-3:	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5]C[5]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(N[5]C[5]2){2|C<4>,2|H<1>,2|N<3>}	H(C[5a]C[5a]N[5a])	126.8690	0.059	2	126.6897	0.094	24	126.6821	0.092	25	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5a]C[5a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(N[5a]C[5a]2){2|C<3>,4|H<1>}	H(C[5a]C[5a]N[5a])	126.5555	0.035	2	122.3920	15.121	5	122.3920	15.121	5	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(N[5a]C[5a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(N[5a]C[5a]2){2|N<2>,4|H<1>}	H(C[5a]C[5a]N[5a])	119.6163	1.162	3	122.3920	15.121	5	122.3920	15.121	5	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Si[4]-3:	C[5a]-3:	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(Si[4]N[4]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|N<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(Si[4]N[4]2){1|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.2490	0.000	1	125.2490	0.000	1	125.2490	0.000	1	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|N<2>,3|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>}	H(C[5a]C[5a]N[5a])	125.3050	0.000	1	125.3050	0.000	1	125.3050	0.000	1	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	126.0340	0.000	1	126.0340	0.000	1	126.0340	0.000	1	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6,6a])(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	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>}	H(C[5a]C[5a]N[5a])	126.1010	0.151	2	126.1010	0.023	2	126.2087	2.649	28	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|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>}	H(C[5a]C[5a]N[5a])	125.2980	0.000	1	125.2980	0.000	1	126.2087	2.649	28	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)2{3|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	125.8457	0.218	4	125.8457	0.047	4	126.2087	2.649	28	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)2{1|C<2>,2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.8700	0.190	2	125.8700	0.036	2	126.2087	2.649	28	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]N[5a]Ni)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|Ni<4>,2|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>}	H(C[5a]C[5a]N[5a])	126.2240	0.000	1	126.2240	0.000	1	126.2087	2.649	28	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|H<1>,1|N<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	127.0980	0.000	1	127.0980	0.000	1	126.2087	2.649	28	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	127.0650	0.000	1	127.0650	0.000	1	126.2087	2.649	28	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|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>}	H(C[5a]C[5a]N[5a])	127.0760	0.233	8	127.0760	0.054	8	126.2087	2.649	28	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|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>}	H(C[5a]C[5a]N[5a])	127.0995	0.313	2	127.0995	0.098	2	126.2087	2.649	28	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|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>}	H(C[5a]C[5a]N[5a])	126.9370	0.413	2	126.9370	0.171	2	126.2087	2.649	28	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	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>}	H(C[5a]C[5a]N[5a])	127.1890	0.091	2	124.0383	13.341	4	126.2087	2.649	28	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	120.8875	0.554	2	124.0383	13.341	4	126.2087	2.649	28	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	N[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]N[6])(C[5a]C[5a]H)(H)	N[5a](N[6]C[6,6]C[6])(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]N[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[6]C[6,6]C[6])(C[5a]C[5a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.4171	0.217	8	126.4171	0.047	8	126.4171	0.047	8	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	Si[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](Si[5a]N[5a]As)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H){1|As<2>,3|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>}	H(C[5a]C[5a]N[5a])	123.2470	0.089	2	123.2470	0.008	2	123.1608	0.065	8	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	Si[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](Si[5a]N[5a]N)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H){1|N<2>,3|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>}	H(C[5a]C[5a]N[5a])	122.9525	0.087	2	122.9525	0.008	2	123.1608	0.065	8	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	Si[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](Si[5a]N[5a]V)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]Si[5a]C[6a])(C[5a]N[5a]H)(H){1|V<11>,3|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>}	H(C[5a]C[5a]N[5a])	123.2218	0.329	4	123.2218	0.108	4	123.1608	0.065	8	125.2108	3.673	892	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5,5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5,5a,6]C[5,5a,6]C[3x5,6])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5,5a,6]H)2(SC[6a]OO)	H(C[5a]C[5,5a,6]N[5a])	C[5a](C[5,5a,6]C[5,5a,6]C[3x5,6])(N[5a]C[5a]S)(H){1|H<1>,4|C<4>}	N[5a](C[5a]C[5,5a,6]H)2(SC[6a]OO){2|C<4>}	H(C[5a]C[5,5a,6]N[5a])	127.0280	0.123	2	127.0280	0.015	2	126.8412	0.041	6	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5,5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5,5a,6]H)2(SC[6a]OO)	H(C[5a]C[5,5a,6]N[5a])	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]S)(H){1|C<3>,1|H<1>,3|C<4>}	N[5a](C[5a]C[5,5a,6]H)2(SC[6a]OO){2|C<4>}	H(C[5a]C[5,5a,6]N[5a])	126.7813	0.187	3	126.7477	0.028	4	126.8412	0.041	6	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5,5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5,5a,6]H)2(SC[6a]OO)	H(C[5a]C[5,5a,6]N[5a])	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]S)(H){2|H<1>,3|C<4>}	N[5a](C[5a]C[5,5a,6]H)2(SC[6a]OO){2|C<4>}	H(C[5a]C[5,5a,6]N[5a])	126.6470	0.000	1	126.7477	0.028	4	126.8412	0.041	6	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(CH3)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H){1|S<2>,2|C<3>}	N[5a](C[5a]C[5,5a]C)(C[5a]C[5,5a]H)(CH3){2|S<2>}	H(C[5a]C[5,5a]N[5a])	126.0430	0.000	1	126.0430	0.000	1	126.4445	0.120	13	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5,5a]H)2(CCHH)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	N[5a](C[5a]C[5,5a]H)2(CCHH){2|S<2>}	H(C[5a]C[5,5a]N[5a])	126.4145	0.175	2	126.4145	0.031	2	126.4445	0.120	13	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5,5a]H)2(CC[6a]CH)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|S<2>}	N[5a](C[5a]C[5,5a]H)2(CC[6a]CH){2|S<2>}	H(C[5a]C[5,5a]N[5a])	126.4907	0.369	10	126.4907	0.136	10	126.4445	0.120	13	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5,5a]H)2(SCOO)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]S)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5,5a]H)2(SCOO){1|C<3>,1|C<4>}	H(C[5a]C[5,5a]N[5a])	127.0080	0.000	1	127.0080	0.000	1	126.9367	0.034	6	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5,5a]H)2(SC[6a]OO)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]S)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5,5a]H)2(SC[6a]OO){1|C<3>,1|C<4>}	H(C[5a]C[5,5a]N[5a])	127.2000	0.000	1	127.2000	0.000	1	126.9367	0.034	6	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5,5a]H)2(SCOO)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]S)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]H)2(SCOO){1|C<3>,1|C<4>}	H(C[5a]C[5,5a]N[5a])	126.9890	0.000	1	126.9890	0.000	1	126.9367	0.034	6	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5,5a]H)2(SC[6a]OO)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]S)(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]H)2(SC[6a]OO){1|C<3>,1|C<4>}	H(C[5a]C[5,5a]N[5a])	126.6410	0.000	1	126.6410	0.000	1	126.9367	0.034	6	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5,5a]H)2(SC[6a]OO)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]S)(H){1|C<3>,1|H<1>,1|S<2>}	N[5a](C[5a]C[5,5a]H)2(SC[6a]OO){2|S<2>}	H(C[5a]C[5,5a]N[5a])	126.8910	0.061	2	126.8910	0.004	2	126.9367	0.034	6	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a,5a]H)2(CH3)	H(C[5a]C[5a,5a]N[5a])	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,5a]H)2(CH3){2|C<3>}	H(C[5a]C[5a,5a]N[5a])	126.8315	0.616	2	126.8315	0.379	2	126.8315	0.379	2	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]B[6,6a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CCHH)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6,6a]B[6,6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CCHH){1|B<3>,1|H<1>,2|C<3>}	H(C[5a]C[5a,6]N[5a])	124.4810	0.000	1	124.4810	0.000	1	123.7812	5.321	5	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a,6]N[5a])	125.0600	0.000	1	125.0600	0.000	1	123.7812	5.321	5	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CC[6a]HH)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a,6]N[5a])	124.6230	0.000	1	124.6230	0.000	1	123.7812	5.321	5	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a,6]N[5a])	119.6810	0.000	1	119.6810	0.000	1	123.7812	5.321	5	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CHHO)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a,6]N[5a])	125.0610	0.000	1	125.0610	0.000	1	123.7812	5.321	5	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(SC[6a]OO)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a,6]N[5a])	125.1890	0.000	1	125.1890	0.000	1	125.1890	0.000	1	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]2)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a,6]H)2(CH3)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6]2)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6]H)2(CH3){1|C<3>,1|C<4>}	H(C[5a]C[5a,6]N[5a])	125.9820	0.000	1	125.9820	0.000	1	125.9415	0.204	4	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a,6]H)2(CH3)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a]C)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a,6]H)2(CH3){1|C<3>,1|C<4>}	H(C[5a]C[5a,6]N[5a])	125.3120	0.000	1	125.3120	0.000	1	125.9415	0.204	4	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a,6]Ir)(C[5a]C[5a,6]H)(CCHH)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a,6]Ir)(C[5a]C[5a,6]H)(CCHH){1|C<3>,1|N<3>}	H(C[5a]C[5a,6]N[5a])	126.0960	0.000	1	126.0960	0.000	1	125.9415	0.204	4	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a,6]Rh)(C[5a]C[5a,6]H)(CC[6a]HH)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H){1|Rh<6>,1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a,6]Rh)(C[5a]C[5a,6]H)(CC[6a]HH){1|C<3>,1|N<3>}	H(C[5a]C[5a,6]N[5a])	126.3760	0.000	1	126.3760	0.000	1	125.9415	0.204	4	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a,6]H)2(SC[6a]OO)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]C[5a]S)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a,6]H)2(SC[6a]OO){1|C<3>,1|C<4>}	H(C[5a]C[5a,6]N[5a])	126.1540	0.000	1	126.1540	0.000	1	126.1735	0.001	2	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a,6]H)2(SC[6a]OO)	H(C[5a]C[5a,6]N[5a])	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]S)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6]H)2(SC[6a]OO){1|C<3>,1|C<4>}	H(C[5a]C[5a,6]N[5a])	126.1930	0.000	1	126.1930	0.000	1	126.1735	0.001	2	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[5a]-3:H-1:	B[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]C)(H)	N[5a](B[5a]N[5a,6a]B[5a])(C[5a]C[5a,6a]H)(CC3)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]C)(H){1|B<3>,1|H<1>,2|C<3>}	N[5a](B[5a]N[5a,6a]B[5a])(C[5a]C[5a,6a]H)(CC3){2|C<3>,2|N<3>}	H(C[5a]C[5a,6a]N[5a])	121.7720	0.000	1	121.7720	0.000	1	121.7720	0.000	1	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(CC[6a]HH)	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)(H){4|C<3>}	N[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]H)(CC[6a]HH){2|C<3>}	H(C[5a]C[5a,6a]N[5a])	125.7860	0.000	1	125.7860	0.000	1	125.7860	0.000	1	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	B[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H)	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H){2|C<3>}	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	121.5460	0.499	2	121.2460	0.395	3	121.2460	0.395	3	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	B[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H)	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6a]C)(N[5a]B[5a,6a]C)(H){2|C<3>}	N[5a](B[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	120.6460	0.000	1	121.2460	0.395	3	121.2460	0.395	3	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	B[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H)	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H){1|C<3>,1|C<4>}	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9793	0.133	6	124.9793	0.018	6	124.9759	0.014	8	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	B[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H)	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]B[5a]C)(H){1|C<3>,1|C<4>}	N[5a](B[5a]N[5a]C)(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	124.9655	0.095	2	124.9655	0.009	2	124.9759	0.014	8	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|C<3>,1|N<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	121.4190	0.000	1	121.4190	0.000	1	124.7982	1.860	12	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|C<3>,1|S<2>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.7525	0.127	2	124.7525	0.016	2	124.7982	1.860	12	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|C<3>,1|S<2>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|S<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.2130	0.000	1	124.3675	0.359	4	124.7982	1.860	12	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|C<3>,1|S<2>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.0857	0.248	3	124.3675	0.359	4	124.7982	1.860	12	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]N[5a,5a]B[5a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|B<4>,1|C<3>}	N[5a](C[5a,5a]N[5a,5a]B[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[5a]C[5a]N[5a])	126.1870	0.000	1	126.1870	0.000	1	124.7982	1.860	12	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){2|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.9900	0.000	1	124.9900	0.000	1	124.7982	1.860	12	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.2340	0.000	1	125.2340	0.000	1	124.7982	1.860	12	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H)	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]C)(H){1|B<4>,1|S<2>}	N[5a](C[5a,5a]N[5a,5a]S[5a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.3865	0.004	2	126.3865	0.000	2	124.7982	1.860	12	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6,6]N)(N[5a]C[5a,6,6]C)(H)	N[5a](C[5a,6,6]C[5a,6,6]C[5,3x6])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6,6]N)(N[5a]C[5a,6,6]C)(H){2|C<4>}	N[5a](C[5a,6,6]C[5a,6,6]C[5,3x6])(C[5a]C[5a]H)(CH3){1|N<3>,4|C<4>}	H(C[5a]C[5a]N[5a])	122.5140	0.000	1	122.5140	0.000	1	122.5140	0.000	1	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.4087	0.231	4	126.3734	0.053	10	126.3734	0.053	10	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.1600	0.000	1	126.3734	0.053	10	126.3734	0.053	10	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[5a]C[5a]N[5a])	126.3950	0.054	2	126.3734	0.053	10	126.3734	0.053	10	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H)	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6,6a]H)(N[5a]C[5a,6,6a]C)(H){2|B<4>}	N[5a](C[5a,6,6a]N[5a,6,6a]B[6,6,6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	126.3830	0.361	3	126.3734	0.053	10	126.3734	0.053	10	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H){1|Ir<7>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.4320	0.107	2	124.2827	0.035	4	124.1633	0.035	16	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2H){1|Rh<7>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.1335	0.062	2	124.2827	0.035	4	124.1633	0.035	16	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2Ir)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2Ir){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.3215	0.063	2	124.3215	0.004	2	124.1633	0.035	16	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2Ru)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2Ru){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.2755	0.211	2	124.2755	0.045	2	124.1633	0.035	16	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH){1|Li<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.8770	0.139	2	124.0359	0.015	8	124.1633	0.035	16	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]CH){1|Rh<7>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.0888	0.058	6	124.0359	0.015	8	124.1633	0.035	16	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(H){1|C<4>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CC3){1|C<2>,1|H<1>,2|C<4>}	H(C[5a]C[5a]N[5a])	125.4765	0.069	2	125.4765	0.005	2	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(H){1|N<3>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3){1|N<3>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.2250	0.000	1	124.2250	0.000	1	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.2980	0.000	1	125.2980	0.000	1	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CCHH){2|H<1>,3|C<4>}	H(C[5a]C[5a]N[5a])	125.4750	0.000	1	125.4750	0.000	1	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[5a]C[5a]N[5a])	124.8750	0.000	1	125.2765	0.081	4	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.2760	0.000	1	125.2765	0.081	4	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	125.4775	0.013	2	125.2765	0.081	4	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CCHH){1|Pt<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.5893	0.273	7	124.5893	0.075	7	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Cu<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.8000	0.092	2	124.7957	0.011	6	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Pt<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.7810	0.105	2	124.7957	0.011	6	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]HH){1|Pt<6>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.8060	0.192	2	124.7957	0.011	6	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(CN[5a]SiH){1|Pt<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.4380	0.350	6	124.4380	0.122	6	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<2>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.1750	0.000	1	125.3287	0.027	3	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6]C)(H){2|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.4055	0.134	2	125.3287	0.027	3	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6]I)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6]I)(N[5a]C[5a,6]C)(H){2|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|I<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.2660	0.000	1	125.2660	0.000	1	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6]Rh)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6]Rh)(N[5a]C[5a,6]C)(H){2|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|Rh<6>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.3130	0.000	1	125.3130	0.000	1	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6]Ru)(N[5a]C[5a,6]C)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6]Ru)(N[5a]C[5a,6]C)(H){2|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]HH){1|Ru<8>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.3080	0.000	1	124.3080	0.000	1	124.8664	0.206	34	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]P)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PC[6a]2Pd)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]P)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PC[6a]2Pd){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9933	0.176	3	124.9933	0.031	3	124.9696	9.253	7	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]P)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PC[6a]2Rh)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]P)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PC[6a]2Rh){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.0650	0.000	1	125.0650	0.000	1	124.9696	9.253	7	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]P)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PN[5a]2Pd)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]P)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PN[5a]2Pd){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	122.3790	4.108	2	122.3790	16.878	2	124.9696	9.253	7	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]P)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PN[5a]2Rh)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]P)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(PN[5a]2Rh){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	129.9840	0.000	1	129.9840	0.000	1	124.9696	9.253	7	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]S)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]S)(H){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|O<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	122.8630	0.000	1	122.8630	0.000	1	122.7477	8.190	3	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]S)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]S)(H){2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	119.8300	0.000	1	122.6900	16.359	2	122.7477	8.190	3	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]S)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]S)(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.5500	0.000	1	122.6900	16.359	2	122.7477	8.190	3	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6a,6a]H)(N[5a]C[5a,6a,6a]C)(H)	N[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6a,6a]H)(N[5a]C[5a,6a,6a]C)(H){2|B<4>}	N[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	126.2370	0.083	2	126.2370	0.007	2	126.2370	0.007	2	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]3){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.0980	0.000	1	124.0980	0.000	1	123.9716	0.040	5	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2H){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.7740	0.020	2	123.7740	0.000	2	123.9716	0.040	5	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2Ir)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2Ir){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.2250	0.000	1	124.2250	0.000	1	123.9716	0.040	5	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2Ru)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2Ru){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.9870	0.000	1	123.9870	0.000	1	123.9716	0.040	5	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]B[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]B[5])(N[5a]C[5a,6a]C)(H){2|C<3>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|B<3>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.0410	0.110	2	124.0410	0.012	2	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]B[5a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]B[5a])(N[5a]C[5a,6a]C)(H){2|C<3>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.4430	0.023	2	124.4430	0.001	2	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCCH){1|Br<1>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.5960	0.000	1	125.5960	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Br<1>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.9240	0.000	1	125.9240	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|Br<1>,1|Cl<1>,2|N<2>}	H(C[5a]C[5a]N[5a])	124.8945	0.060	2	124.8945	0.004	2	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.5960	0.000	2	124.5737	0.001	3	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){4|C<3>}	H(C[5a]C[5a]N[5a])	124.5290	0.000	1	124.5737	0.001	3	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.8220	0.000	1	123.8220	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.7198	0.242	8	124.7104	0.052	17	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.7020	0.230	9	124.7104	0.052	17	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.3230	0.000	1	124.5529	0.720	37	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.6881	0.263	11	124.5529	0.720	37	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.5095	0.334	2	124.5529	0.720	37	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.5020	1.062	23	124.5529	0.720	37	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.3049	1.189	62	124.4356	0.969	114	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.5978	0.658	48	124.4356	0.969	114	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|O<2>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.2325	0.265	2	124.4356	0.969	114	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|C<4>}	H(C[5a]C[5a]N[5a])	124.7990	0.339	2	124.4356	0.969	114	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9130	0.000	1	124.8790	0.002	2	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.8450	0.000	1	124.8790	0.002	2	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCCH){3|C<3>}	H(C[5a]C[5a]N[5a])	124.4440	0.000	1	124.4440	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.5735	0.322	2	124.5735	0.104	2	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.4520	0.000	1	124.4520	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[4a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[4a])(N[5a]C[5a,6a]C)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.4480	0.000	1	124.4480	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.7390	0.000	1	123.7390	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)(H){1|N<3>,2|C<3>,2|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.6160	0.556	2	124.6160	0.309	2	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.8872	0.294	6	124.8872	0.087	6	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.4550	0.000	1	124.6177	0.034	9	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.6060	0.113	3	124.6177	0.034	9	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9960	0.000	1	124.6177	0.034	9	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.7650	0.000	1	124.6177	0.034	9	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.5220	0.000	1	124.6177	0.034	9	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.5015	0.136	2	124.6177	0.034	9	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.4505	0.422	11	124.7025	1.186	37	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9600	0.000	1	124.7025	1.186	37	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.6572	0.146	5	124.7025	1.186	37	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.7400	0.506	4	124.7025	1.186	37	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.7233	0.077	4	124.7025	1.186	37	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	122.1860	0.000	1	124.7025	1.186	37	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.8510	0.361	2	124.7025	1.186	37	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.6500	0.000	1	124.7025	1.186	37	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	127.1675	4.529	2	124.7025	1.186	37	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.7338	0.082	4	124.7025	1.186	37	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.5650	0.115	2	124.7025	1.186	37	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.8550	0.000	1	124.6677	0.113	6	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.6917	0.385	4	124.6677	0.113	6	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.3840	0.000	1	124.6677	0.113	6	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.7250	0.000	1	124.7250	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9300	0.000	1	124.7034	0.083	8	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.6960	0.469	3	124.7034	0.083	8	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(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)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.7655	0.159	2	124.7034	0.083	8	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.5390	0.045	2	124.7034	0.083	8	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.6190	0.000	1	124.6190	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.5236	0.093	5	124.4698	0.035	13	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.4361	0.229	8	124.4698	0.035	13	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){3|C<3>}	H(C[5a]C[5a]N[5a])	124.1460	0.000	1	124.1460	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[5a]C[5a]N[5a])	124.7590	0.000	1	124.7745	0.000	2	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.7900	0.000	1	124.7745	0.000	2	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.2965	0.018	2	124.2965	0.000	2	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.8783	0.056	3	124.8783	0.003	3	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|N<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.2490	0.000	1	124.9885	0.033	4	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.9017	0.071	3	124.9885	0.033	4	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.6950	0.000	1	124.6950	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.0420	0.188	2	125.0420	0.035	2	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	123.9945	0.810	2	123.7932	7.018	11	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	123.7484	2.946	9	123.7932	7.018	11	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CIrNN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CIrNN){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.0200	0.000	1	125.0200	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.1480	0.032	3	125.1480	0.001	3	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(C[5a]C[5a]N[5a])	124.4360	0.000	1	124.4360	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CN[5a]SiH){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.7330	0.000	1	124.7330	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	122.7770	3.017	2	123.6810	7.001	3	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.4890	0.000	1	123.6810	7.001	3	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(H){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.0210	0.024	2	125.0210	0.001	2	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|S<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.2610	0.000	1	125.2610	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.0780	0.000	1	125.0780	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9660	0.000	1	124.9660	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(CC[6a]HH){1|S<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	122.8780	0.000	1	122.8780	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]Si)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]Si)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Si<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.2925	0.224	8	124.2925	0.050	8	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.6190	0.173	2	125.6190	0.030	2	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|C<3>,1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	125.6610	0.016	2	126.5878	0.182	14	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|B<4>,1|C<3>,1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.5290	0.000	1	126.5878	0.182	14	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[5a]C[5a]N[5a])	126.8197	0.109	7	126.5878	0.182	14	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|P<3>}	H(C[5a]C[5a]N[5a])	126.3610	0.000	1	126.5878	0.182	14	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.7130	0.205	2	126.5878	0.182	14	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|B<4>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]H)(CH3){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.8530	0.000	1	126.5878	0.182	14	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]Ge[6a])(C[5a]C[5a]H)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|Ge<3>,1|B<4>}	N[5a](C[5a,6a]N[5a,6a]Ge[6a])(C[5a]C[5a]H)(CC3){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.3195	0.187	2	126.3195	0.035	2	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a,6a]H)(N[5a]C[5a,6a]C)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a]H)(CH3){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.4760	0.000	1	125.4760	0.000	1	124.6354	1.064	339	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2Ni)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]P)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2Ni){1|C<4>,1|P<4>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.9980	0.000	1	123.9980	0.000	1	124.4106	0.396	18	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|C<2>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.2420	0.000	1	124.3577	0.090	9	124.4106	0.396	18	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.9810	0.000	1	124.3577	0.090	9	124.4106	0.396	18	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.2307	0.306	3	124.3577	0.090	9	124.4106	0.396	18	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.5760	0.216	4	124.3577	0.090	9	124.4106	0.396	18	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2Pd)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2Pd){1|H<1>,1|P<4>,2|C<3>}	H(C[5a]C[5a]N[5a])	122.2910	0.000	1	122.2910	0.000	1	124.4106	0.396	18	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PNNO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PNNO){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.8370	0.085	6	124.8370	0.007	6	124.4106	0.396	18	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PO3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PO3){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.8610	0.000	1	124.8610	0.000	1	124.4106	0.396	18	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.5455	0.327	2	124.5455	0.107	2	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.3927	1.632	10	124.5634	2.445	23	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.6948	1.562	13	124.5634	2.445	23	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]S)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.0910	0.153	3	125.0910	0.023	3	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	126.9200	0.000	1	126.0155	1.636	2	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.1110	0.000	1	126.0155	1.636	2	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(H){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.6700	0.000	1	124.6700	0.000	1	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6,6])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6,6])(N[5a]C[5a,6a]S)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9990	0.000	1	124.9990	0.000	1	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.8480	0.000	1	124.8790	0.309	6	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.4995	0.098	2	124.8790	0.309	6	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.3390	0.000	1	124.8790	0.309	6	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H){1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.1910	0.000	1	124.8790	0.309	6	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.8970	0.000	1	124.8790	0.309	6	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.0960	0.000	1	125.0967	0.027	3	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.2610	0.000	1	125.0967	0.027	3	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.9330	0.000	1	125.0967	0.027	3	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO){3|C<3>}	H(C[5a]C[5a]N[5a])	124.4370	0.000	1	124.6640	0.103	2	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(H){2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO){3|C<3>}	H(C[5a]C[5a]N[5a])	124.8910	0.000	1	124.6640	0.103	2	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|Br<1>,1|C<3>,1|H<1>,1|N<2>}	H(C[5a]C[5a]N[5a])	121.2580	0.000	1	123.7723	5.135	6	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|N<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	120.4900	0.000	1	123.7723	5.135	6	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.2215	0.245	4	123.7723	5.135	6	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.2800	0.214	3	125.2800	0.046	3	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]S)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	126.1320	0.000	1	126.1320	0.000	1	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SCOO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]S)(H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SCOO){1|H<1>,1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.7560	0.000	1	125.7560	0.000	1	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]N[6])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]N[6])(N[5a]C[5a,6a]S)(H){2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.5930	0.000	1	125.5930	0.000	1	124.7431	1.819	55	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](C[5a]C[3x3,4,3x5,14x6]C[5a,6a])(N[5a]C[5a,6a]Si)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[3x3,4,3x5,14x6]C[5a,6a])(N[5a]C[5a,6a]Si)(H){2|C<3>,4|B<6>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3){1|C<5>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.8170	0.000	1	123.8170	0.000	1	123.7915	0.001	2	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]Si)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]Si)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.7660	0.000	1	123.7660	0.000	1	123.7915	0.001	2	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:B-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]B)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(BFFO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]B)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(BFFO){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.7335	0.012	2	124.7335	0.000	2	124.7258	3.728	11	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:B-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]B)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(BN[5a]3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]B)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(BN[5a]3){1|C<4>}	H(C[5a]C[5a]N[5a])	124.2833	2.279	7	124.2833	5.193	7	124.7258	3.728	11	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:B-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]B)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(BN[5a]3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]B)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(BN[5a]3){1|H<1>}	H(C[5a]C[5a]N[5a])	126.2670	0.055	2	126.2670	0.003	2	124.7258	3.728	11	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Br<1>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.1940	0.000	1	126.2565	0.008	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Br<1>,1|C<3>}	H(C[5a]C[5a]N[5a])	126.3190	0.000	1	126.2565	0.008	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.1290	0.211	6	125.0994	0.041	8	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|Mn<5>,1|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|Mn<5>,1|C<3>}	H(C[5a]C[5a]N[5a])	124.8580	0.000	1	125.0994	0.041	8	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|Ni<4>,1|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|Ni<4>,1|C<3>}	H(C[5a]C[5a]N[5a])	125.1630	0.000	1	125.0994	0.041	8	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	125.4270	0.000	1	125.2728	0.054	4	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	124.9600	0.000	1	125.2728	0.054	4	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|S<4>}	H(C[5a]C[5a]N[5a])	125.2360	0.000	1	125.2728	0.054	4	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<4>}	H(C[5a]C[5a]N[5a])	125.4680	0.000	1	125.2728	0.054	4	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.2120	0.000	1	125.4528	0.170	4	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.7990	0.095	2	125.4528	0.170	4	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	125.0010	0.000	1	125.4528	0.170	4	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CHHO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CHHO){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	124.7380	0.000	1	124.7380	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.0280	0.000	1	125.0280	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.4750	0.000	1	125.4750	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|I<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|I<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.6240	0.000	1	125.6240	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|Cl<1>,1|H<1>}	N[5a](C[5a]C[5a]Cl)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.7370	0.000	1	125.7370	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3){1|C<2>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.6083	0.007	3	125.6470	0.003	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CC3){1|C<2>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.7050	0.011	2	125.6470	0.003	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(CC3){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.1997	0.276	4	125.1997	0.076	4	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(CC[6a]HH){2|C<3>}	H(C[5a]C[5a]N[5a])	125.4450	0.042	2	125.4450	0.002	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(CC3){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.6070	0.000	1	125.6070	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(CH3){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.7900	0.000	1	125.7900	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCCH){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	124.9790	0.047	2	124.9790	0.002	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|C<3>}	H(C[5a]C[5a]N[5a])	125.5067	0.147	3	125.5067	0.021	3	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3){1|N<3>,3|C<3>}	H(C[5a]C[5a]N[5a])	120.7970	0.000	1	120.7970	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){4|C<3>}	H(C[5a]C[5a]N[5a])	125.0650	0.000	1	125.0650	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.1265	0.607	2	125.1265	0.369	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|C<4>,1|P<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CC[6a]HH){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	125.0100	0.000	1	125.0100	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)2(CCHH){2|C<3>}	H(C[5a]C[5a]N[5a])	125.6710	0.123	2	125.6710	0.015	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(CH3){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	123.4090	0.000	1	123.4090	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.4860	0.223	4	125.4062	0.069	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(CH3){1|C<3>,1|S<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.0870	0.000	1	125.4062	0.069	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	H(C[5a]C[5a]N[5a])	125.2438	0.919	9	125.3817	0.568	14	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){2|H<1>}	H(C[5a]C[5a]N[5a])	125.6660	0.192	3	125.3817	0.568	14	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.5760	0.259	2	125.3817	0.568	14	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6]HH){2|H<1>}	H(C[5a]C[5a]N[5a])	125.5730	0.000	1	125.5730	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]CH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]CH){2|H<1>}	H(C[5a]C[5a]N[5a])	125.9980	0.000	1	125.9980	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	H(C[5a]C[5a]N[5a])	125.3777	0.091	4	125.6083	0.073	9	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]HH){2|H<1>}	H(C[5a]C[5a]N[5a])	125.7928	0.210	5	125.6083	0.073	9	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	H(C[5a]C[5a]N[5a])	124.4529	2.270	40	124.7777	4.055	55	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){2|H<1>}	H(C[5a]C[5a]N[5a])	125.9009	0.343	9	124.7777	4.055	55	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|Ir<8>,1|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|Ir<8>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.2167	0.114	3	124.7777	4.055	55	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.3007	0.212	3	124.7777	4.055	55	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)(CCHH){2|C<4>,3|H<1>}	H(C[5a]C[5a]N[5a])	126.5900	0.000	1	126.5900	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CCHH){1|C<4>,1|N<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	125.6150	0.054	2	125.6150	0.003	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]HH){2|H<1>,2|N<3>}	H(C[5a]C[5a]N[5a])	118.1420	0.000	1	118.1420	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	119.4320	0.000	1	120.9683	20.919	9	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[5a]C[5a]N[5a])	126.3930	0.000	1	120.9683	20.919	9	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	119.5724	4.960	5	120.9683	20.919	9	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|O<2>,2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	119.1510	0.000	1	120.9683	20.919	9	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|C<3>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.8770	0.000	1	120.9683	20.919	9	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	122.5970	0.000	1	124.4662	1.467	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|O<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.0370	0.000	1	124.4662	1.467	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.3645	0.433	2	124.4662	1.467	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|Pd<4>,1|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	123.9680	0.000	1	124.4662	1.467	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<2>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.3360	0.075	3	125.3360	0.006	3	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3){2|H<1>}	H(C[5a]C[5a]N[5a])	125.5714	0.116	5	125.5714	0.014	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(CH3){2|H<1>}	H(C[5a]C[5a]N[5a])	124.7475	0.146	2	124.7475	0.021	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(CC3){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.5973	0.143	4	125.5973	0.021	4	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(CCHH){2|H<1>}	H(C[5a]C[5a]N[5a])	125.7570	0.454	10	125.7570	0.206	10	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CC[6]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(CC[6]HH){2|H<1>}	H(C[5a]C[5a]N[5a])	125.9020	0.061	2	125.9020	0.004	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(CC[6a]HH){2|H<1>}	H(C[5a]C[5a]N[5a])	125.8713	0.192	6	125.8713	0.037	6	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(CH3){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.2705	0.876	2	125.4003	0.434	3	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(H){1|C<6>,1|H<1>}	N[5a](C[5a]C[5a]H)2(CH3){1|C<6>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.6600	0.000	1	125.4003	0.434	3	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.1543	0.358	3	126.1543	0.128	3	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.0370	0.267	16	126.0370	0.071	16	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|N<2>}	H(C[5a]C[5a]N[5a])	126.2630	0.000	1	126.2630	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]C[5a]C)(H){2|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]N)(CH3){2|N<3>}	H(C[5a]C[5a]N[5a])	125.8960	0.085	2	125.8960	0.007	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[5x3,5x5,20x6]C[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)2(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5x3,5x5,20x6]C[5a])(N[5a]C[5a]C)(H){1|C<6>,2|H<1>,4|B<6>}	N[5a](C[5a]C[5a]H)2(CH3){1|C<6>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.6850	0.000	1	125.6850	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>}	H(C[5a]C[5a]N[5a])	126.9230	0.246	2	126.9230	0.061	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	125.7980	0.000	1	125.6951	0.011	7	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.6780	0.104	6	125.6951	0.011	7	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){3|C<3>}	H(C[5a]C[5a]N[5a])	125.3080	2.695	4	125.3080	7.261	4	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHHO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)(H){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHHO){3|C<3>}	H(C[5a]C[5a]N[5a])	126.6450	0.000	1	126.6450	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|C<4>}	H(C[5a]C[5a]N[5a])	126.2520	0.000	2	126.2520	0.000	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|C<3>}	H(C[5a]C[5a]N[5a])	126.8020	0.000	1	127.0614	0.155	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|C<4>}	H(C[5a]C[5a]N[5a])	127.1262	0.423	4	127.0614	0.155	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>}	H(C[5a]C[5a]N[5a])	118.8000	0.000	1	118.8000	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|C<4>}	H(C[5a]C[5a]N[5a])	124.6234	3.069	8	124.6234	9.416	8	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|S<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3){1|C<4>}	H(C[5a]C[5a]N[5a])	120.4075	2.225	2	120.4075	4.952	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]Ir)(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(H){1|Ir<8>}	N[5a](C[5a]N[5a]Ir)(C[5a]C[5a]H)(CCHH){1|C<4>}	H(C[5a]C[5a]N[5a])	126.7960	0.000	1	126.7960	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]C)(H){2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|C<4>}	H(C[5a]C[5a]N[5a])	126.7070	0.000	1	126.7070	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|C<3>}	H(C[5a]C[5a]N[5a])	126.1520	0.000	1	126.1520	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]Cl)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|Cl<1>}	H(C[5a]C[5a]N[5a])	127.3960	0.000	1	127.3960	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(C[5a]C[5a]N[5a])	126.8050	0.000	1	126.8050	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC3){1|H<1>}	H(C[5a]C[5a]N[5a])	127.0493	0.116	3	127.0493	0.014	3	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCCH){1|H<1>}	H(C[5a]C[5a]N[5a])	126.4340	0.198	3	126.4340	0.039	3	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|H<1>}	H(C[5a]C[5a]N[5a])	126.4280	0.000	1	126.4420	0.400	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|H<1>}	H(C[5a]C[5a]N[5a])	126.4455	0.730	4	126.4420	0.400	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH){1|H<1>}	H(C[5a]C[5a]N[5a])	126.7020	0.000	1	126.0290	1.832	3	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]HH){1|H<1>}	H(C[5a]C[5a]N[5a])	125.6925	1.727	2	126.0290	1.832	3	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	H(C[5a]C[5a]N[5a])	126.8448	0.354	12	126.4514	1.719	83	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	H(C[5a]C[5a]N[5a])	126.1888	1.697	46	126.4514	1.719	83	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|H<1>}	H(C[5a]C[5a]N[5a])	126.7457	0.339	25	126.4514	1.719	83	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCCH){1|H<1>}	H(C[5a]C[5a]N[5a])	126.4572	0.921	5	126.4572	0.848	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|H<1>}	H(C[5a]C[5a]N[5a])	126.3828	1.564	91	126.3828	2.446	91	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHN){1|H<1>}	H(C[5a]C[5a]N[5a])	127.0390	0.000	1	127.0390	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[4,6]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[4,6]HH){1|H<1>}	H(C[5a]C[5a]N[5a])	127.1015	0.146	2	127.1015	0.021	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5]HH){1|H<1>}	H(C[5a]C[5a]N[5a])	127.0557	0.392	6	127.0557	0.154	6	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[5a]HH){1|H<1>}	H(C[5a]C[5a]N[5a])	124.5223	2.847	6	124.5223	8.106	6	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]2H){1|H<1>}	H(C[5a]C[5a]N[5a])	126.7883	0.090	3	126.7883	0.008	3	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]3){1|H<1>}	H(C[5a]C[5a]N[5a])	124.0585	3.726	2	124.0585	13.881	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]CH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]CH){1|H<1>}	H(C[5a]C[5a]N[5a])	126.9490	0.000	1	126.9490	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|H<1>}	H(C[5a]C[5a]N[5a])	125.4163	2.737	70	125.4163	7.490	70	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3){1|H<1>}	H(C[5a]C[5a]N[5a])	125.8229	1.751	8	125.8229	3.065	8	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHHO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CHHO){1|H<1>}	H(C[5a]C[5a]N[5a])	127.1960	0.035	2	127.1960	0.001	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5]HH){1|H<1>}	H(C[5a]C[5a]N[5a])	127.0370	0.000	1	127.0370	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN[5a]HH){1|H<1>}	H(C[5a]C[5a]N[5a])	127.1620	0.000	1	127.1620	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|I<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]I)(CC[6a]HH){1|H<1>}	H(C[5a]C[5a]N[5a])	124.5355	3.142	2	124.5355	9.870	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	H(C[5a]C[5a]N[5a])	127.5160	0.000	1	125.9243	5.523	7	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CCHH){1|H<1>}	H(C[5a]C[5a]N[5a])	125.6590	2.457	6	125.9243	5.523	7	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3){1|H<1>}	H(C[5a]C[5a]N[5a])	127.0250	0.000	1	127.0250	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>,1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CC3){2|H<1>}	H(C[5a]C[5a]N[5a])	126.1305	0.121	2	126.1305	0.015	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.1680	0.000	1	126.1680	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CN[5]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CN[5]HH){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.5300	0.000	1	126.5300	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC3){1|H<1>}	H(C[5a]C[5a]N[5a])	122.5913	0.733	3	122.5913	0.538	3	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC[5]CH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CC[5]CH){1|H<1>}	H(C[5a]C[5a]N[5a])	126.8480	0.000	1	126.8480	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|H<1>}	H(C[5a]C[5a]N[5a])	126.8075	0.011	2	126.8075	0.000	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	H(C[5a]C[5a]N[5a])	126.9340	0.157	2	126.9515	0.045	10	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CN[5a]HH){1|H<1>}	H(C[5a]C[5a]N[5a])	126.9559	0.234	8	126.9515	0.045	10	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|S<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC3){1|H<1>}	H(C[5a]C[5a]N[5a])	126.5280	0.078	2	126.5280	0.006	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|S<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]HH){1|H<1>}	H(C[5a]C[5a]N[5a])	126.8370	0.000	1	126.8370	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|S<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|H<1>}	H(C[5a]C[5a]N[5a])	126.7358	0.492	10	126.7358	0.242	10	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|N<2>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.7988	0.342	14	126.7988	0.117	14	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6]HH){1|H<1>,1|N<2>,1|N<3>}	H(C[5a]C[5a]N[5a])	127.0160	0.229	3	127.0160	0.052	3	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.8387	0.216	39	126.8387	0.046	39	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(C[5a]C[5a]N[5a])	126.6930	0.000	1	124.3372	5.702	4	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	H(C[5a]C[5a]N[5a])	123.5520	2.203	3	124.3372	5.702	4	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	127.0054	0.183	5	127.0054	0.033	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>}	H(C[5a]C[5a]N[5a])	126.7930	0.000	1	126.7930	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	H(C[5a]C[5a]N[5a])	126.5120	0.792	3	126.6626	0.359	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	126.8885	0.105	2	126.6626	0.359	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	H(C[5a]C[5a]N[5a])	122.2800	1.687	2	122.2800	2.846	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Br<1>}	N[5a](C[5a]N[5a]Br)(C[5a]C[5a]H)(CC3){1|H<1>}	H(C[5a]C[5a]N[5a])	126.9120	0.040	2	126.9120	0.002	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]Pt)(C[5a]C[5a]H)(CCCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Pt<4>}	N[5a](C[5a]N[5a]Pt)(C[5a]C[5a]H)(CCCH){1|H<1>}	H(C[5a]C[5a]N[5a])	127.2280	0.000	1	127.2280	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]Ru)(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Ru<5>}	N[5a](C[5a]N[5a]Ru)(C[5a]C[5a]H)(CCHH){1|H<1>}	H(C[5a]C[5a]N[5a])	126.8090	0.000	1	126.8090	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Se<1>}	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3){1|H<1>}	H(C[5a]C[5a]N[5a])	126.7400	0.000	1	126.4895	0.197	4	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|Se<2>}	N[5a](C[5a]N[5a]Se)(C[5a]C[5a]H)(CH3){1|H<1>}	H(C[5a]C[5a]N[5a])	126.4060	0.504	3	126.4895	0.197	4	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]HH){1|I<1>}	H(C[5a]C[5a]N[5a])	127.4040	0.000	1	127.4040	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]I)(N[5a]C[5a]C)(H){1|S<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CH3){1|I<1>}	H(C[5a]C[5a]N[5a])	127.3440	0.197	2	127.3440	0.039	2	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){1|N<3>}	H(C[5a]C[5a]N[5a])	127.9491	0.114	8	127.9491	0.013	8	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|N<3>}	H(C[5a]C[5a]N[5a])	127.9110	0.308	3	127.7562	0.104	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CH3){1|N<3>}	H(C[5a]C[5a]N[5a])	127.5240	0.215	2	127.7562	0.104	5	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CCHH){1|N<3>}	H(C[5a]C[5a]N[5a])	127.8660	0.305	4	127.8660	0.093	4	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CH3){1|N<2>}	H(C[5a]C[5a]N[5a])	126.9560	0.000	1	126.9560	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHHN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CHHN){1|N<3>}	H(C[5a]C[5a]N[5a])	121.9060	0.000	1	121.9060	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|O<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]O)(CH3){1|N<3>}	H(C[5a]C[5a]N[5a])	123.3460	0.000	1	123.3460	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CH3){1|N<2>,2|N<3>}	H(C[5a]C[5a]N[5a])	116.5070	0.000	1	116.5070	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]C)(H){1|Cl<1>}	N[5a](C[5a]N[5a]Cl)(C[5a]C[5a]H)(CH3){1|N<3>}	H(C[5a]C[5a]N[5a])	124.5870	0.000	1	124.5870	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]O)(N[5a]C[5a]C)(H){1|Cd<4>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(CH3){1|Cd<4>,1|O<1>}	H(C[5a]C[5a]N[5a])	111.2500	0.000	1	111.2500	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]S[5a]H)(N[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(CCCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]S[5a]H)(N[5a]C[5a]C)(H){1|O<1>}	N[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(CCCH){1|H<1>}	H(C[5a]C[5a]N[5a])	122.7520	0.000	1	122.7520	0.000	1	125.8361	4.009	694	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:N-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(H)	N[5a](C[5a]C[5a]P[5])(C[5a]C[5a]H)(NPdCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]P[5])(C[5a]C[5a]H)(NPdCC){2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.2440	0.000	2	126.2440	0.000	2	126.2440	0.000	2	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Co)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Co){2|H<1>}	H(C[5a]C[5a]N[5a])	125.9489	0.410	8	125.9489	0.168	8	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Fe)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Fe){2|H<1>}	H(C[5a]C[5a]N[5a])	126.0970	0.262	2	126.0970	0.068	2	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Ni)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Ni){2|H<1>}	H(C[5a]C[5a]N[5a])	125.4580	0.069	2	125.4580	0.005	2	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Pd)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Pd){2|H<1>}	H(C[5a]C[5a]N[5a])	125.2180	0.000	1	125.2180	0.000	1	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Rh)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PC[6a]2Rh){2|H<1>}	H(C[5a]C[5a]N[5a])	125.0270	0.081	2	125.0270	0.006	2	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PN[5a]2Co)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PN[5a]2Co){2|H<1>}	H(C[5a]C[5a]N[5a])	125.8630	0.000	1	125.8630	0.000	1	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PN[5a]2Rh)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PN[5a]2Rh){2|H<1>}	H(C[5a]C[5a]N[5a])	125.4073	0.173	6	125.4073	0.030	6	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PPdNN)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PPdNN){2|H<1>}	H(C[5a]C[5a]N[5a])	125.2300	0.000	1	125.2300	0.000	1	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PRuCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PRuCC){2|H<1>}	H(C[5a]C[5a]N[5a])	125.8050	0.034	2	125.6105	0.068	4	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PRuCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(PRuCC){2|H<1>}	H(C[5a]C[5a]N[5a])	125.4160	0.228	2	125.6105	0.068	4	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PCuCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PCuCC){2|H<1>}	H(C[5a]C[5a]N[5a])	125.5790	0.000	1	125.5790	0.000	1	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PNiCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PNiCC){2|H<1>}	H(C[5a]C[5a]N[5a])	125.6290	0.163	3	125.6290	0.026	3	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PPdCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PPdCC){2|H<1>}	H(C[5a]C[5a]N[5a])	125.7255	0.018	2	125.7255	0.000	2	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PPtCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]P)(PPtCC){2|H<1>}	H(C[5a]C[5a]N[5a])	125.6480	0.000	1	125.6480	0.000	1	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(PN[5a]2Cr)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|H<1>,1|S<2>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(PN[5a]2Cr){2|H<1>}	H(C[5a]C[5a]N[5a])	125.6373	0.216	3	125.8122	0.088	5	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(PN[5a]2Cr)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){1|H<1>,1|S<3>}	N[5a](C[5a]C[5a]H)(C[5a]C[5a]S)(PN[5a]2Cr){2|H<1>}	H(C[5a]C[5a]N[5a])	126.0745	0.175	2	125.8122	0.088	5	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)2(PC[6]2Ru)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(PC[6]2Ru){2|H<1>}	H(C[5a]C[5a]N[5a])	125.6620	0.560	2	125.6620	0.314	2	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)2(PC[6a]2B)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(PC[6a]2B){2|H<1>}	H(C[5a]C[5a]N[5a])	125.4543	1.034	4	125.4543	1.069	4	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)2(PN[5]2Fe)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(PN[5]2Fe){2|H<1>}	H(C[5a]C[5a]N[5a])	117.2670	2.346	2	117.2670	5.505	2	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2Co)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(PN[5a]2Co){2|H<1>}	H(C[5a]C[5a]N[5a])	125.8799	0.508	26	125.8799	0.258	26	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2Cr)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(PN[5a]2Cr){2|H<1>}	H(C[5a]C[5a]N[5a])	125.6873	0.241	7	125.6873	0.058	7	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2Ir)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(PN[5a]2Ir){2|H<1>}	H(C[5a]C[5a]N[5a])	125.9886	0.324	23	125.9886	0.105	23	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2N)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(PN[5a]2N){2|H<1>}	H(C[5a]C[5a]N[5a])	125.9888	0.099	5	125.9888	0.010	5	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2Pd)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(PN[5a]2Pd){2|H<1>}	H(C[5a]C[5a]N[5a])	121.4435	3.615	6	121.4435	13.071	6	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2Rh)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(PN[5a]2Rh){2|H<1>}	H(C[5a]C[5a]N[5a])	125.9958	1.649	40	125.9958	2.718	40	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2Ru)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(PN[5a]2Ru){2|H<1>}	H(C[5a]C[5a]N[5a])	125.9178	0.153	6	125.9178	0.023	6	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]PdC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(PN[5a]PdC){2|H<1>}	H(C[5a]C[5a]N[5a])	125.7083	0.179	12	125.7083	0.032	12	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]PtC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(PN[5a]PtC){2|H<1>}	H(C[5a]C[5a]N[5a])	126.1407	0.159	3	126.1407	0.025	3	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]RhC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(PN[5a]RhC){2|H<1>}	H(C[5a]C[5a]N[5a])	125.7288	0.201	44	125.7288	0.040	44	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]RuC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(PN[5a]RuC){2|H<1>}	H(C[5a]C[5a]N[5a])	125.7120	1.180	4	125.7120	1.393	4	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]2Pd)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H){1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]2Pd){1|H<1>}	H(C[5a]C[5a]N[5a])	127.1655	0.033	2	127.1655	0.001	2	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]PdC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H){1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PC[6a]PdC){1|H<1>}	H(C[5a]C[5a]N[5a])	126.4230	0.000	1	126.4230	0.000	1	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PPdCC)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]P)(H){1|P<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(PPdCC){1|H<1>}	H(C[5a]C[5a]N[5a])	126.3817	0.265	3	126.3817	0.070	3	125.6522	2.042	229	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]S)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|Br<1>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.3445	0.152	2	126.4830	0.069	3	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]S)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|Br<1>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.7600	0.000	1	126.4830	0.069	3	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SNOO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H){1|Si<4>,1|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SNOO){1|Si<4>,1|C<2>}	H(C[5a]C[5a]N[5a])	125.5400	0.000	1	125.5400	0.000	1	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.9415	0.005	2	125.9415	0.000	2	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){2|C<4>}	H(C[5a]C[5a]N[5a])	125.6260	0.000	1	125.8970	0.147	2	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){1|C<3>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.1680	0.000	1	125.8970	0.147	2	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H){1|C<4>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|S<2>}	H(C[5a]C[5a]N[5a])	125.7270	0.000	1	125.7270	0.000	1	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){4|C<3>}	H(C[5a]C[5a]N[5a])	125.6080	0.000	1	125.6080	0.000	1	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.2730	0.000	1	126.2730	0.000	1	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|Br<1>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.9580	0.000	1	125.7668	0.826	8	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){2|H<1>}	H(C[5a]C[5a]N[5a])	125.9510	0.000	1	125.7668	0.826	8	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){2|H<1>}	H(C[5a]C[5a]N[5a])	125.9080	0.000	1	125.7668	0.826	8	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){2|H<1>}	H(C[5a]C[5a]N[5a])	126.1347	0.088	3	125.7668	0.826	8	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	123.5500	0.000	1	125.7668	0.826	8	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){2|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.3630	0.000	1	125.7668	0.826	8	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.2370	0.000	1	119.8028	19.621	4	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){1|H<1>,1|S<4>}	H(C[5a]C[5a]N[5a])	119.2070	0.000	1	119.8028	19.621	4	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){2|H<1>}	H(C[5a]C[5a]N[5a])	116.8835	0.254	2	119.8028	19.621	4	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]N)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]N)(N[5a]C[5a]S)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){1|C<3>,1|N<3>}	H(C[5a]C[5a]N[5a])	126.5660	0.000	1	126.5660	0.000	1	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]S)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]S)(N[5a]C[5a]S)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){1|H<1>,1|S<4>}	H(C[5a]C[5a]N[5a])	122.1700	0.000	1	122.1700	0.000	1	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]Se)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]Se)(N[5a]C[5a]S)(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(SC[6a]OO){1|Se<2>,1|C<3>}	H(C[5a]C[5a]N[5a])	125.7820	0.000	1	125.7820	0.000	1	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]S)(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<3>}	H(C[5a]C[5a]N[5a])	126.9610	0.000	1	126.9610	0.000	1	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]S)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<3>}	H(C[5a]C[5a]N[5a])	127.0456	0.224	9	127.0456	0.050	9	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(SNOO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]S)(H){1|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(SNOO){1|C<3>}	H(C[5a]C[5a]N[5a])	127.0980	0.000	1	127.0980	0.000	1	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]C[5a]S)(H){2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<4>}	H(C[5a]C[5a]N[5a])	126.9490	0.117	3	126.9490	0.014	3	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]S)(H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<4>}	H(C[5a]C[5a]N[5a])	127.5430	0.000	1	127.1050	0.088	4	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]S)(H){1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SNOO){1|C<4>}	H(C[5a]C[5a]N[5a])	126.9590	0.069	3	127.1050	0.088	4	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(SNOO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(H){1|C<4>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(SNOO){1|H<1>}	H(C[5a]C[5a]N[5a])	127.5550	0.000	1	127.5550	0.000	1	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SC[6a]OO){1|H<1>}	H(C[5a]C[5a]N[5a])	127.2720	0.000	1	127.2720	0.000	1	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SN[5a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]S)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SN[5a]OO){1|H<1>}	H(C[5a]C[5a]N[5a])	127.4565	0.180	2	127.4565	0.033	2	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SCOO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]C[5a]S)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(SCOO){1|N<3>}	H(C[5a]C[5a]N[5a])	128.3580	0.000	1	128.3580	0.000	1	125.9382	5.608	49	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]Si)(H)	N[5a](C[5a]C[5a]H)2(SiC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]Si)(H){1|Fe<10>,1|H<1>,3|C<4>}	N[5a](C[5a]C[5a]H)2(SiC3){2|C<4>}	H(C[5a]C[5a]N[5a])	124.6595	0.021	2	124.6595	0.000	2	124.7607	0.031	3	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Si)(H)	N[5a](C[5a]C[5a]H)2(SiC3)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Si)(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)2(SiC3){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	124.9630	0.000	1	124.9630	0.000	1	124.7607	0.031	3	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]2C)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]2C){1|Pd<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.2420	0.130	2	124.2420	0.017	2	124.1728	0.021	12	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]3)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]3){1|Pd<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.0930	0.249	2	124.0930	0.062	2	124.1728	0.021	12	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]CC)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiN[5a]CC){1|Pd<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.0440	0.168	2	124.0440	0.028	2	124.1728	0.021	12	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiRuCC)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6]Si)(C[5a]C[5a,6]H)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(SiRuCC){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.2193	0.101	6	124.2193	0.010	6	124.1728	0.021	12	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5]C[5]2H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(C[5]C[5]2H){1|Cl<1>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.5210	0.000	1	125.5210	0.000	1	125.5210	0.000	1	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6]C[6]2H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6]C[6]2H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5a]C[5a]N[5a])	124.8030	0.123	2	124.8030	0.015	2	124.8030	0.015	2	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.0800	0.000	1	124.0800	0.000	1	124.3439	0.024	25	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2C)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2C){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.3705	0.170	4	124.3705	0.029	4	124.3439	0.024	25	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2Cl)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2Cl){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.3000	0.154	3	124.3000	0.024	3	124.3439	0.024	25	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]3)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]3){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.4055	0.145	13	124.4055	0.021	13	124.3439	0.024	25	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]CC)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]CC){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.2160	0.021	4	124.2160	0.000	4	124.3439	0.024	25	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[5]C[5]2H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]S)(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(C[5]C[5]2H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	125.3700	0.000	1	125.3700	0.000	1	125.3700	0.000	1	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:P[6]-4:	C[5a]-3:	C[5a](N[5a]C[5a]P[6])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(P[6]N[6]2O)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]P[6])(C[5a]N[5a]H)(H){1|H<1>,1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(P[6]N[6]2O){1|H<1>,2|P<4>}	H(C[5a]C[5a]N[5a])	126.8895	0.425	4	126.8895	0.180	4	126.8895	0.180	4	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(SiC3)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]H)(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)2(SiC3){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	124.9370	0.000	1	124.9065	0.002	2	125.1490	0.137	7	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(SiC3)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]H)(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)2(SiC3){1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	124.8760	0.000	1	124.9065	0.002	2	125.1490	0.137	7	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)2(SiC[5]CC)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]H)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(SiC[5]CC){2|H<1>}	H(C[5a]C[5a]N[5a])	124.9160	0.157	2	124.9160	0.025	2	125.1490	0.137	7	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]I)(H)	N[5a](C[5a]C[5a]H)2(SiC3)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]I)(H){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]H)2(SiC3){2|I<1>}	H(C[5a]C[5a]N[5a])	125.3085	0.344	2	125.3085	0.119	2	125.1490	0.137	7	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]N)(H)	N[5a](C[5a]C[5a]H)2(SiC3)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]Si)(C[5a]C[5a]N)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(SiC3){1|H<1>,1|N<3>}	H(C[5a]C[5a]N[5a])	125.7810	0.000	1	125.7810	0.000	1	125.1490	0.137	7	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	Ge[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]H)(H)	N[5a](Ge[5a]N[5a]Mo)(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]Ge[5a]C)(C[5a]N[5a]H)(H){1|Mo<6>,1|C<4>}	N[5a](Ge[5a]N[5a]Mo)(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	122.5568	0.582	6	122.5568	0.338	6	122.5568	0.338	6	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	Si[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]Si[5a]C)(C[5a]N[5a]H)(H)	N[5a](Si[5a]N[5a]Ru)(C[5a]C[5a]H)(CC3)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]Si[5a]C)(C[5a]N[5a]H)(H){1|Ru<5>,1|C<4>}	N[5a](Si[5a]N[5a]Ru)(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	122.4775	0.357	2	122.4775	0.128	2	122.4775	0.128	2	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,5a]C)2(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,5a]C)2(H){2|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)(CH3){1|C<4>,1|N<2>,2|C<3>}	H(C[5a]N[5a]2)	123.8300	0.059	2	123.8300	0.004	2	123.8300	0.004	2	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]H)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	125.0070	0.000	1	125.0070	0.000	1	125.3687	0.099	3	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)2(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)2(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|N<3>,2|N<2>}	H(C[5a]N[5a]2)	125.5260	0.000	1	125.5260	0.000	1	125.3687	0.099	3	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6]C)2(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C)2(H){1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,2|C<3>}	H(C[5a]N[5a]2)	125.5730	0.000	1	125.5730	0.000	1	125.3687	0.099	3	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)2(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]N[5a]2)	124.4555	0.216	2	124.4555	0.047	2	124.7155	4.957	4	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)2(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	H(C[5a]N[5a]2)	127.6730	0.000	1	127.6730	0.000	1	124.7155	4.957	4	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)2(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)2(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	H(C[5a]N[5a]2)	122.2780	0.000	1	122.2780	0.000	1	124.7155	4.957	4	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]B[5a]C)(N[5a]C[5a]C)(H)	N[5a](C[5a]B[5a]N)(C[5a]N[5a]H)(CCCH)	H(C[5a]N[5a]2)	C[5a](N[5a]B[5a]C)(N[5a]C[5a]C)(H){1|N<2>,2|C<3>}	N[5a](C[5a]B[5a]N)(C[5a]N[5a]H)(CCCH){1|C<4>,2|C<3>}	H(C[5a]N[5a]2)	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	125.3677	3.057	1614	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:5:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B-5:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2RuH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]2RuH){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.2946	0.183	10	124.2946	0.033	10	124.1394	0.096	14	124.0686	0.094	19	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:5:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:B-5:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]RhCH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5a]C[5a]H)(BN[5a]RhCH){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.7515	0.187	4	123.7515	0.035	4	124.1394	0.096	14	124.0686	0.094	19	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:3:5:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-5:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2RuH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]B)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(BN[5a]2RuH){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.8702	0.214	5	123.8702	0.046	5	123.8702	0.046	5	124.0686	0.094	19	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5a]C[5a,6a]N[5a])	126.6690	0.184	2	127.0507	0.209	4	127.0507	0.209	4	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[5a]C[5a,6a]N[5a])	127.3560	0.000	1	127.0507	0.209	4	127.0507	0.209	4	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|O<2>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[5a]C[5a,6a]N[5a])	127.5090	0.000	1	127.0507	0.209	4	127.0507	0.209	4	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:B-4:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]I)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(BC[5]N[5]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]I)(N[5a]N[5a]B)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(BC[5]N[5]H)(N[5a]C[5a]){1|H<1>,1|I<1>}	H(C[5a]C[5a]N[5a])	125.1520	0.000	1	125.1520	0.000	1	125.1520	0.000	1	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C-4:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(CC[6]2N[5])(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](C[5a]C[5a]H)(CC[6]2N[5])(N[5a]C[5a]){2|H<1>}	H(C[5a]C[5a]N[5a])	126.9150	0.000	1	126.9150	0.000	1	126.9150	0.000	1	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[5]C[5]2C)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[5]C[5]2C)(N[5a]N[5a]){1|O<1>,2|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	127.6840	0.000	1	127.6840	0.000	1	127.5820	0.021	2	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]N[5a]){1|O<2>,3|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	127.4800	0.000	1	127.4800	0.000	1	127.5820	0.021	2	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|C<3>,2|C<4>,5|H<1>}	H(C[5a]C[5a]N[5a])	126.0820	0.000	1	126.0820	0.000	1	127.2456	0.518	5	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	127.5370	0.000	1	127.4125	0.031	2	127.2456	0.518	5	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	127.2880	0.000	1	127.4125	0.031	2	127.2456	0.518	5	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:	C[5a](C[5a]N[5a]P[5])(N[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]P[5])(N[5a]N[5a]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|P<4>,4|H<1>}	H(C[5a]C[5a]N[5a])	127.6605	0.537	2	127.6605	0.288	2	127.2456	0.518	5	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[3]-4:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[3])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[3]C[3]2H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[3])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[3]C[3]2H)(N[5a]C[5a]){1|C<3>,5|H<1>}	H(C[5a]C[5a]N[5a])	121.9530	0.000	2	121.9530	0.000	2	121.9530	0.000	2	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]C[5a]){2|C<4>,6|H<1>}	H(C[5a]C[5a]N[5a])	126.4660	0.000	1	126.4660	0.000	1	126.4660	0.000	1	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|O<1>,2|C<4>,4|H<1>}	H(C[5a]C[5a]N[5a])	126.2710	0.000	1	126.3847	0.081	3	126.6485	0.332	4	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|W<7>,2|C<4>,5|H<1>}	H(C[5a]C[5a]N[5a])	126.7080	0.000	1	126.3847	0.081	3	126.6485	0.332	4	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|W<7>,3|H<1>,4|C<4>}	H(C[5a]C[5a]N[5a])	126.1750	0.000	1	126.3847	0.081	3	126.6485	0.332	4	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|H<1>,2|C<4>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a]){3|C<4>,4|H<1>}	H(C[5a]C[5a]N[5a])	127.4400	0.000	1	127.4400	0.000	1	126.6485	0.332	4	126.4314	2.810	20	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:B-4:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Li<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.8702	0.074	4	123.9947	0.052	6	123.9947	0.052	6	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:B-4:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]H)(C[5a]C[5a]H){1|Rh<7>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.2435	0.243	2	123.9947	0.052	6	123.9947	0.052	6	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[3])(N[5a]C[5a,6a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[3])(N[5a]C[5a,6a]C[5])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[5a]C[5a]N[5a])	124.8300	0.000	1	124.8300	0.000	1	124.8300	0.000	1	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.5530	0.000	1	125.5530	0.000	1	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]C[5a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[5a]C[5a]N[5a])	124.6840	0.000	1	124.6840	0.000	1	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]N[5])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]N[5])(C[5a]C[5a]H){1|C<4>,2|H<1>,7|C<3>}	H(C[5a]C[5a]N[5a])	124.6310	0.000	1	124.6310	0.000	1	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	124.2470	0.000	1	124.2470	0.000	1	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	124.9400	0.223	2	124.9400	0.050	2	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.5620	0.000	1	125.5620	0.000	1	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5a]C[5a]N[5a])	126.2200	0.000	1	126.2270	0.000	3	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.2240	0.000	1	126.2270	0.000	3	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	H(C[5a]C[5a]N[5a])	126.2370	0.000	1	126.2270	0.000	3	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a]H){2|H<1>,7|C<3>}	H(C[5a]C[5a]N[5a])	124.9920	0.000	1	124.9920	0.000	1	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H){1|S<4>,4|C<3>,4|H<1>}	H(C[5a]C[5a]N[5a])	124.6770	0.000	1	124.6770	0.000	1	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.0230	0.000	1	125.0418	0.051	8	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[5a]C[5a]N[5a])	125.0444	0.244	7	125.0418	0.051	8	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[5a]C[5a]N[5a])	125.1110	0.000	1	125.1110	0.000	1	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,1|H<1>,1|I<1>,2|C<3>,2|C<4>}	H(C[5a]C[5a]N[5a])	125.3660	0.000	1	125.2560	0.009	3	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,1|I<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5a]C[5a]N[5a])	125.2040	0.000	1	125.2560	0.009	3	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.1980	0.000	1	125.2560	0.009	3	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.9400	0.000	1	125.7710	0.057	2	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[5a]C[5a]N[5a])	125.6020	0.000	1	125.7710	0.057	2	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]I)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|H<1>,1|I<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5a]C[5a]N[5a])	125.7050	0.000	1	125.7730	0.009	2	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]I)(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(C[5a]N[5a,6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.8410	0.000	1	125.7730	0.009	2	125.2574	0.270	28	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,6|C<3>}	H(C[5a]C[5a]N[5a])	125.0155	0.237	2	124.9187	0.056	3	125.0865	0.150	4	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[5a]C[5a]N[5a])	124.7250	0.000	1	124.9187	0.056	3	125.0865	0.150	4	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:4:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]C[5a]H){1|Mo<10>,1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.5900	0.000	1	125.5900	0.000	1	125.0865	0.150	4	125.0347	0.419	39	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	3:5:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6]-3:B-5:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H)	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]RuH)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]B)(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(BC[6a]N[5a]RuH)(C[5a]C[5a]H){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.2270	0.128	4	124.2270	0.016	4	124.2270	0.016	4	124.2270	0.016	4	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a,6a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	H(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|N<2>}	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[5a]C[5a,6a]N[5a])	127.0223	0.154	3	127.0223	0.024	3	127.0223	0.024	3	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.6723	0.156	6	125.6723	0.024	6	125.8255	0.222	33	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.9125	0.078	2	125.9125	0.006	2	125.8255	0.222	33	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	125.4952	0.254	6	125.4952	0.064	6	125.8255	0.222	33	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](BN[5a]N[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	N[5a](BN[5a]N[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	H(C[5a]C[5a]N[5a])	125.9856	0.562	18	125.9856	0.315	18	125.8255	0.222	33	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	H(C[5a]C[5a]N[5a])	125.6720	0.000	1	125.6720	0.000	1	125.8255	0.222	33	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	H(C[5a]C[5a]N[5a])	126.9520	0.000	1	126.9520	0.000	1	126.0105	3.259	84	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	H(C[5a]C[5a]N[5a])	124.0592	2.968	20	124.0592	8.809	20	126.0105	3.259	84	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.7975	0.231	2	126.7975	0.053	2	126.0105	3.259	84	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.3180	0.000	1	126.5793	0.029	48	126.0105	3.259	84	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.5447	0.058	3	126.5793	0.029	48	126.0105	3.259	84	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	H(C[5a]C[5a]N[5a])	126.5876	0.173	44	126.5793	0.029	48	126.0105	3.259	84	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	126.4960	0.083	2	126.5495	0.011	4	126.0105	3.259	84	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	H(C[5a]C[5a]N[5a])	126.6030	0.116	2	126.5495	0.011	4	126.0105	3.259	84	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	H(C[5a]C[5a]N[5a])	126.6926	0.251	8	126.6926	0.063	8	126.0105	3.259	84	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	H(C[5a]C[5a]N[5a])	127.6090	0.000	1	127.6090	0.000	1	126.0105	3.259	84	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5a]C[5a]N[5a])	127.5080	0.000	1	127.5080	0.000	1	127.2419	0.757	17	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){2|C<4>,3|C<3>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|N<3>,3|C<3>}	H(C[5a]C[5a]N[5a])	127.5380	0.000	1	127.5380	0.000	1	127.2419	0.757	17	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){5|C<3>}	N[5a](C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,5|C<3>}	H(C[5a]C[5a]N[5a])	124.0480	0.000	1	124.0480	0.000	1	127.2419	0.757	17	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Fe<10>,1|C<3>,1|N<2>,2|C<4>}	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	127.7680	0.120	3	127.5803	0.051	8	127.2419	0.757	17	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Fe<10>,1|N<2>,1|N<3>,2|C<4>}	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	127.7120	0.000	1	127.5803	0.051	8	127.2419	0.757	17	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	127.4065	0.166	4	127.5803	0.051	8	127.2419	0.757	17	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5]2Mn)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Mn<8>,2|C<3>,2|C<4>}	N[5a](C[5]C[5]2Mn)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	127.6450	0.000	1	127.6450	0.000	1	127.2419	0.757	17	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|N<3>,4|C<3>}	H(C[5a]C[5a]N[5a])	127.4860	0.000	1	127.4860	0.000	1	127.2419	0.757	17	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	127.0613	0.201	4	127.0613	0.040	4	127.2419	0.757	17	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	N[5a](C[6]C[4x6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[6]C[4x6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>,3|C<4>}	H(C[5a]C[5a]N[5a])	125.4960	0.000	1	125.4960	0.000	1	127.0510	0.850	5	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5a]C[5a]N[5a])	127.2790	0.000	1	127.1485	0.034	2	127.0510	0.850	5	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	127.0180	0.000	1	127.1485	0.034	2	127.0510	0.850	5	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	C[5a]-3:N[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C[6])(H)	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C[6])(H){1|Fe<10>,1|C<3>,1|H<1>,3|C<4>}	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>,3|C<4>}	H(C[5a]C[5a]N[5a])	127.7310	0.069	2	127.7310	0.005	2	127.0510	0.850	5	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]B[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](B[5a]N[5,5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|N<4>}	N[5a](B[5a]N[5,5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|B<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	126.2160	0.494	2	126.2160	0.244	2	126.2160	0.244	2	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H)	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,2|N<3>}	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|N<3>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.7130	0.137	2	122.4075	15.850	4	122.7537	14.906	10	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H)	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	H(C[5a]C[5a]N[5a])	119.1020	1.956	2	122.4075	15.850	4	122.7537	14.906	10	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H)	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H){1|H<1>,3|N<3>}	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.5918	0.713	4	125.5918	0.509	4	122.7537	14.906	10	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	B[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H)	N[5a](B[6]N[5,6]2O)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|N<3>}	N[5a](B[6]N[5,6]2O)(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	H(C[5a]C[5a]N[5a])	117.7700	1.646	2	117.7700	2.710	2	122.7537	14.906	10	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	126.3240	0.031	2	126.3240	0.001	2	127.0804	0.559	11	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|O<2>,3|C<3>}	N[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	H(C[5a]C[5a]N[5a])	125.9330	0.000	1	125.9330	0.000	1	127.0804	0.559	11	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[5a]C[5a]N[5a])	126.5660	0.407	2	126.5660	0.166	2	127.0804	0.559	11	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<4>}	H(C[5a]C[5a]N[5a])	127.6936	0.202	5	127.6936	0.041	5	127.0804	0.559	11	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	H(C[5a]C[5a]N[5a])	127.7030	0.000	1	127.7030	0.000	1	127.0804	0.559	11	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	N[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,5|H<1>}	H(C[5a]C[5a]N[5a])	126.3490	0.000	1	126.3490	0.000	1	127.3126	0.228	14	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|O<2>,2|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	H(C[5a]C[5a]N[5a])	127.3330	0.000	1	127.3330	0.000	1	127.3126	0.228	14	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<4>,3|C<3>}	H(C[5a]C[5a]N[5a])	127.6780	0.000	1	127.6780	0.000	1	127.3126	0.228	14	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	H(C[5a]C[5a]N[5a])	127.3652	0.432	11	127.3652	0.187	11	127.3126	0.228	14	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:	C[5a](N[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	117.1500	0.000	1	117.1500	0.000	1	117.1500	0.000	1	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	P[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(H)	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|N<2>}	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>,2|P<4>}	H(C[5a]C[5a]N[5a])	126.3310	0.341	2	126.3310	0.116	2	126.3310	0.116	2	126.0802	3.823	182	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	C[5a,5a]-3:N[5a]-3:H-1:	B[5a]-4:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]B[5a]C[6a])(H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a,5a]N[5a])	C[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]B[5a]C[6a])(H){7|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>}	H(C[5a]C[5a,5a]N[5a])	123.4620	0.000	1	123.4620	0.000	1	123.7844	0.027	10	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	C[5a,5a]-3:N[5a]-3:H-1:	B[5a]-4:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a,5a]N[5a])	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H){1|H<1>,6|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>}	H(C[5a]C[5a,5a]N[5a])	123.8063	0.106	4	123.8202	0.016	9	123.7844	0.027	10	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	C[5a,5a]-3:N[5a]-3:H-1:	B[5a]-4:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a,5a]N[5a])	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H){1|H<1>,6|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>}	H(C[5a]C[5a,5a]N[5a])	123.9190	0.000	1	123.8202	0.016	9	123.7844	0.027	10	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	C[5a,5a]-3:N[5a]-3:H-1:	B[5a]-4:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H)	N[5a](B[5a]N[5a,5a]C[6a]2)(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a,5a]N[5a])	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])(H){1|H<1>,6|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>}	H(C[5a]C[5a,5a]N[5a])	123.8095	0.170	4	123.8202	0.016	9	123.7844	0.027	10	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	C[5a,5a]-3:N[5a]-3:H-1:	B[5a]-4:N[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]N[5a])(H)	N[5a](B[5a]N[5a,5a]C[6a]2)(N[5a]B[5a]C[5a])(C[5a]C[5a,5a]H)	H(C[5a]C[5a,5a]N[5a])	C[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]N[5a])(H){1|B<4>,1|C<4>,5|C<3>}	N[5a](B[5a]N[5a,5a]C[6a]2)(N[5a]B[5a]C[5a])(C[5a]C[5a,5a]H){1|H<1>,1|N<3>,9|C<3>}	H(C[5a]C[5a,5a]N[5a])	124.2980	0.014	2	124.2980	0.000	2	124.2980	0.000	2	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	B-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]B)(H)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]B)(H){1|H<1>}	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>}	H(C[5a]C[5a]N[5a])	125.8803	0.186	3	125.8803	0.035	3	123.3899	10.986	12	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	B-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]B)(H)	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]B)(H){1|H<1>}	N[5a](BN[5a]2N[5])(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	H(C[5a]C[5a]N[5a])	122.5598	3.463	9	122.5598	11.996	9	123.3899	10.986	12	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](CC[3x4,3x6]HH)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](CC[3x4,3x6]HH)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	H(C[5a]C[5a]N[5a])	127.1110	0.137	2	127.1110	0.019	2	126.2193	2.395	3	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H)	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(H){1|H<1>}	N[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>}	H(C[5a]C[5a]N[5a])	124.4360	0.000	1	124.4360	0.000	1	126.2193	2.395	3	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	P-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](PN[5a]N[5]Rh)(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](PN[5a]N[5]Rh)(C[5a]C[5a]H)2{2|H<1>}	H(C[5a]C[5a]N[5a])	125.8632	0.501	4	125.8632	0.251	4	125.8632	0.251	4	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-4:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]Cl2)(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){2|Cl<1>,3|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>}	H(C[5a]C[5a]N[5a])	124.7390	0.366	2	124.7390	0.134	2	124.7390	0.134	2	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[3,5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[3,5]C[5a])(C[5a]N[5a]H)(H)	N[5a](C[3,5]C[3,5]C[5,6]O[3])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[3,5]C[5a])(C[5a]N[5a]H)(H){1|H<1>,1|O<2>,2|C<4>}	N[5a](C[3,5]C[3,5]C[5,6]O[3])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>,4|C<4>}	H(C[5a]C[5a]N[5a])	127.2880	0.000	1	127.2880	0.000	1	127.2880	0.000	1	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[3]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[3])(C[5a]N[5a]H)(H)	N[5a](C[3]C[3]N[3]C)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[3])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[3]C[3]N[3]C)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	H(C[5a]C[5a]N[5a])	127.2320	0.000	1	127.2320	0.000	1	127.2320	0.000	1	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	125.5490	0.413	4	125.5490	0.170	4	126.1842	0.421	18	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.5100	0.000	1	125.5100	0.000	1	126.1842	0.421	18	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.9455	0.069	2	125.9455	0.005	2	126.1842	0.421	18	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]S)(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5]C[5,6a]C[5]S)(C[5a]C[5a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.9745	0.117	4	125.9745	0.014	4	126.1842	0.421	18	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	125.8410	0.000	1	125.8410	0.000	1	126.1842	0.421	18	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(H)	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(H){2|C<4>,2|H<1>}	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,2|O<2>,4|H<1>}	H(C[5a]C[5a]N[5a])	126.9535	0.208	4	126.9535	0.043	4	126.1842	0.421	18	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(H)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<4>,3|H<1>}	H(C[5a]C[5a]N[5a])	127.1560	0.000	1	127.1560	0.000	1	126.1842	0.421	18	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)(H){1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<4>,3|H<1>}	H(C[5a]C[5a]N[5a])	127.0100	0.000	1	127.0100	0.000	1	126.1842	0.421	18	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5a]-3:	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(C[5a]C[5a]N[5a])	126.0000	0.445	2	126.0000	0.198	2	126.0000	0.198	2	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[6,6]C[5a])(C[5a]N[5a]H)(H)	N[5a](C[6,6]C[3x6]2C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6,6]C[5a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[6,6]C[3x6]2C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,3|H<1>,4|C<4>}	H(C[5a]C[5a]N[5a])	126.6610	0.000	1	126.6610	0.000	1	123.1490	11.202	3	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[6,6]C[5a])(C[5a]N[5a]H)(H)	N[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[6,6]C[5a])(C[5a]N[5a]H)(H){2|C<4>,2|H<1>}	N[5a](C[6,6]C[3x6]C[6,6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5a]C[5a]N[5a])	121.3930	1.976	2	121.3930	3.903	2	123.1490	11.202	3	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[6]C[6]2Re)(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|Re<12>,2|C<4>,2|H<1>}	N[5a](C[6]C[6]2Re)(C[5a]C[5a]H)2{2|C<4>,4|H<1>}	H(C[5a]C[5a]N[5a])	126.0800	0.000	1	126.0800	0.000	1	126.9277	0.539	3	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	127.3515	0.012	2	127.3515	0.000	2	126.9277	0.539	3	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	Ge[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]Ge[5])(C[5a]C[5a]H)(H)	N[5a](Ge[5]N[5]2O)(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]Ge[5])(C[5a]C[5a]H)(H){1|O<2>,2|H<1>,2|N<3>}	N[5a](Ge[5]N[5]2O)(C[5a]C[5a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.7050	0.660	2	125.7050	0.436	2	125.6195	0.102	6	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	Ge[5]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]Ge[5])(C[5a]C[5a]H)(H)	N[5a](Ge[5]N[5]2S)(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]Ge[5])(C[5a]C[5a]H)(H){1|S<1>,2|H<1>,2|N<3>}	N[5a](Ge[5]N[5]2S)(C[5a]C[5a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.5768	0.132	4	125.5768	0.017	4	125.6195	0.102	6	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	Si[4]-4:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(H)	N[5a](Si[4]N[4]2Pd)(C[5a]C[5a]C)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]Si[4])(C[5a]C[5a]H)(H){1|Pd<4>,1|C<4>,1|H<1>,2|N<3>}	N[5a](Si[4]N[4]2Pd)(C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.2170	0.000	1	125.2170	0.000	1	125.2170	0.000	1	125.0839	4.079	68	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	B[5a]-4:C[5a]-3:C-4:	C[5a]-3:	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(H)	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]H)(CCHH)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]O[5a]C)(N[5a]B[5a]C)(H){2|F<1>}	N[5a](B[5a]O[5a]FF)(C[5a]C[5a]H)(CCHH){1|C<3>}	H(C[5a]C[5a]N[5a])	124.4890	0.000	1	124.4890	0.000	1	124.4890	0.000	1	122.9960	4.458	2	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	4:3:4:	3:	N[5a]-3:N[5a]-3:H-1:	B[5a]-4:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]B[5a]C)(N[5a]C[5a]C)(H)	N[5a](B[5a]C[5a]C[6a]2)(C[5a]N[5a]H)(CCCH)	H(C[5a]N[5a]2)	C[5a](N[5a]B[5a]C)(N[5a]C[5a]C)(H){1|N<2>,2|C<3>}	N[5a](B[5a]C[5a]C[6a]2)(C[5a]N[5a]H)(CCCH){1|C<4>,1|N<2>,4|C<3>}	H(C[5a]N[5a]2)	121.5030	0.000	1	121.5030	0.000	1	121.5030	0.000	1	122.9960	4.458	2	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	5:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	P[5]-5:C[5a]-3:N[5a]-2:	C[5a]-3:	C[5a](N[5a]N[5a]P[5])(C[5a]C[5a]H)(H)	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(N[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]N[5a]P[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,3|O<2>}	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	H(C[5a]C[5a]N[5a])	126.3180	0.000	1	126.3180	0.000	1	126.3180	0.000	1	126.3180	0.000	1	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	5:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	Ge[4,5]-5:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]Ge[4,5]C[5a])(C[5a]C[5a]H)(H)	N[5a](Ge[4,5]N[5]2O[4]2)(C[5a]C[5a]H)2	H(C[5a]C[5a]N[5a])	C[5a](N[5a]Ge[4,5]C[5a])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>,2|O<2>}	N[5a](Ge[4,5]N[5]2O[4]2)(C[5a]C[5a]H)2{1|Ge<5>,2|C<3>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	125.2100	0.260	2	125.2100	0.068	2	125.2100	0.068	2	125.7927	0.729	4	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	5:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	P[5]-5:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a]P[5])(C[5a]N[5a]H)(H)	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(C[5a]N[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a]P[5])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,3|O<2>}	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[5a]C[5a]N[5a])	126.3755	0.872	2	126.3755	0.760	2	126.3755	0.760	2	125.7927	0.729	4	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP2	C[5a]	N[5a]	H	3:3:1:	6:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5x3,5x5,20x6]-6:C[5a,6a]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a]C[5a,6a]H)(H)	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a]C[5a,6a]H)(H){1|C<6>,2|C<3>,4|B<6>}	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<6>,2|C<3>,4|B<6>,7|H<1>}	H(C[5a]C[5a]N[5a])	124.4385	0.532	2	124.4385	0.284	2	124.4385	0.284	2	124.4385	0.284	2	124.9725	3.894	8032	124.9985	3.709	8920
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a,6]	H	3:3:1:	3:4:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]C[5,6])(C[5a]C[5a,6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6,6a]C[5,6])(C[5a]C[5a,6a]H)(H){1|O<2>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[5a]N[5a,6]C[5a])	125.2480	0.000	1	125.2480	0.000	1	125.2480	0.000	1	125.2480	0.000	1	125.3110	0.008	2	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a,6]	H	3:3:1:	4:3:3:	3:	N[5a,6]-3:C[5a]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	H(C[5a]N[5a,6]C[5a])	C[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[5a]N[5a,6]C[5a])	125.3740	0.000	1	125.3740	0.000	1	125.3740	0.000	1	125.3740	0.000	1	125.3110	0.008	2	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:2:1:	3:3:4:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){3|C<3>}	H(C[5a]N[5a]2)	122.4170	0.000	1	122.4170	0.000	1	122.4170	0.000	1	122.4170	0.000	1	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:2:1:	3:4:3:	3:	N[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	H(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6]C[5])(N[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5a]N[5a]2)	122.5490	0.000	1	122.5490	0.000	1	122.5490	0.000	1	122.5490	0.000	1	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:1:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.8520	0.000	1	124.8520	0.000	1	124.8520	0.000	1	124.8520	0.000	1	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	125.1130	0.003	2	125.1130	0.000	2	125.1130	0.000	2	125.2762	0.027	5	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]2)(H){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[5a]C[5a]N[5a])	125.4800	0.000	1	125.4800	0.000	1	125.4800	0.000	1	125.2762	0.027	5	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H)	N[5a](B[5a]N[5a]N[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,3|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>}	H(C[5a]C[5a]N[5a])	125.3820	0.000	1	125.3820	0.000	1	125.3820	0.000	1	125.2762	0.027	5	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:3:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:N[5]-3:C[5a]-3:	C[5a]-3:	C[5a](N[5a]C[5a,6a]N[5])(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]N[5])(C[5a]C[5a,6a]H)(H){1|B<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H){3|H<1>,6|C<3>}	H(C[5a]C[5a]N[5a])	125.2930	0.000	1	125.2930	0.000	1	125.2930	0.000	1	125.2762	0.027	5	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5,5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5,5a]H)2(SC[6a]OO)	H(C[5a]C[5,5a]N[5a])	C[5a](C[5,5a]C[5,5a]S[5])(N[5a]C[5a]S)(H){1|C<3>,1|H<1>,1|S<2>}	N[5a](C[5a]C[5,5a]H)2(SC[6a]OO){2|S<2>}	H(C[5a]C[5,5a]N[5a])	126.6970	0.039	4	126.6970	0.002	4	126.6970	0.002	4	125.5095	5.340	24	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	123.7560	0.318	2	123.7560	0.101	2	123.7560	0.101	2	125.5095	5.340	24	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.2890	0.000	1	124.1913	3.437	7	124.4718	2.010	12	125.5095	5.340	24	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	123.8142	2.126	5	124.1913	3.437	7	124.4718	2.010	12	125.5095	5.340	24	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[5a]C[5a]N[5a])	124.9790	0.000	1	124.1913	3.437	7	124.4718	2.010	12	125.5095	5.340	24	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[4])(N[5a]C[5a,6a]S)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9710	0.000	1	124.9710	0.000	1	124.4718	2.010	12	125.5095	5.340	24	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.6390	0.000	1	124.6390	0.000	1	124.4718	2.010	12	125.5095	5.340	24	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.9100	0.000	1	124.9043	0.052	3	124.4718	2.010	12	125.5095	5.340	24	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	125.1300	0.000	1	124.9043	0.052	3	124.4718	2.010	12	125.5095	5.340	24	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(H){1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.6730	0.000	1	124.9043	0.052	3	124.4718	2.010	12	125.5095	5.340	24	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2Pd)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(PN[5a]2Pd){2|H<1>}	H(C[5a]C[5a]N[5a])	125.7610	0.000	1	125.7610	0.000	1	129.6563	11.386	3	125.5095	5.340	24	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H)	N[5a](C[5a]C[5a]H)2(PN[5a]2Rh)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]P)(H){2|H<1>}	N[5a](C[5a]C[5a]H)2(PN[5a]2Rh){2|H<1>}	H(C[5a]C[5a]N[5a])	131.6040	0.105	2	131.6040	0.011	2	129.6563	11.386	3	125.5095	5.340	24	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[3])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[3])(N[5a]C[5a]S)(H){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	125.3810	0.000	1	125.3810	0.000	1	125.5060	0.031	2	125.5095	5.340	24	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[5a]-3:S-4:	C[5a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)2(SC[6a]OO)	H(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)2(SC[6a]OO){1|C<3>,1|C<4>}	H(C[5a]C[5a]N[5a])	125.6310	0.000	1	125.6310	0.000	1	125.5060	0.031	2	125.5095	5.340	24	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	3:3:4:	3:	N[5a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a]-3:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2C)	H(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(SiN[5a]2C){1|H<1>,2|C<3>}	H(C[5a]C[5a]N[5a])	124.2850	0.000	1	124.2850	0.000	1	124.2850	0.000	1	125.5095	5.340	24	125.0200	6.330	33	125.0366	5.963	35
727	813	951	0:SP2_SP-NON_SP3	C[5a]	N[5a]	H	3:3:1:	4:3:2:	3:	N[5a]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:	C[5a](N[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	H(C[5a]C[5a]N[5a])	C[5a](N[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5a]C[5a]N[5a])	117.2320	0.000	1	117.2320	0.000	1	117.2320	0.000	1	117.2320	0.000	1	125.0200	6.330	33	125.0366	5.963	35