542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	O(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,2|H<1>}	O(N[5]C[5,6a]N[5])	126.5340	0.680	3	125.7195	0.650	8	125.7195	0.650	8	132.7859	24.971	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	O(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){2|C<3>,2|H<1>}	O(N[5]C[5,6a]N[5])	125.2308	0.331	5	125.7195	0.650	8	125.7195	0.650	8	132.7859	24.971	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6,6a])(O[5]N[5])(O)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]O)	O(N[5]C[5,6a]O[5])	N[5](C[5,6a]C[5,6a]C[6,6a])(O[5]N[5])(O){3|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]O[5]O){1|H<1>,1|N<3>,3|C<3>}	O(N[5]C[5,6a]O[5])	135.4310	0.363	2	135.4310	0.132	2	135.4310	0.132	2	132.7859	24.971	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]O[5]O)	O(N[5]C[5,6a]O[5])	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a]C[6a])(N[5]O[5]O){2|N<3>,3|C<3>}	O(N[5]C[5,6a]O[5])	136.1890	0.000	1	136.1890	0.000	1	136.2020	0.436	15	132.7859	24.971	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]O)	O(N[5]C[5,6a]O[5])	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|Br<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]O){1|Br<1>,1|C<3>,1|H<1>}	O(N[5]C[5,6a]O[5])	136.8132	0.390	4	136.8132	0.152	4	136.2020	0.436	15	132.7859	24.971	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]O)	O(N[5]C[5,6a]O[5])	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|Cl<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(N[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>}	O(N[5]C[5,6a]O[5])	136.5890	0.144	4	136.5890	0.021	4	136.2020	0.436	15	132.7859	24.971	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	O(N[5]C[5,6a]O[5])	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<2>,1|C<3>,1|N<3>}	O(N[5]C[5,6a]O[5])	135.4493	0.513	3	135.5387	0.172	6	136.2020	0.436	15	132.7859	24.971	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:2:1:	3:3:3:	3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	O(N[5]C[5,6a]O[5])	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<3>,2|H<1>}	O(N[5]C[5,6a]O[5])	135.6280	0.376	3	135.5387	0.172	6	136.2020	0.436	15	132.7859	24.971	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	O(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	O(N[5]C[5,6a]C[5])	121.5270	0.000	1	121.5270	0.000	1	123.7812	3.886	15	126.1492	12.854	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	O(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(N[5]C[5,6a]C[5])	119.9060	2.587	2	119.9060	6.690	2	123.7812	3.886	15	126.1492	12.854	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O)	O(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(N[5]C[5,6a]C[5])	124.6149	0.622	12	124.6149	0.387	12	123.7812	3.886	15	126.1492	12.854	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:O-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	O(N[5]C[5,6a]C[5])	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){2|H<1>,3|C<3>}	O(N[5]C[5,6a]C[5])	124.0120	0.000	1	124.0120	0.000	1	124.0120	0.000	1	126.1492	12.854	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	O(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	O(N[5]C[5,6a]N[5])	130.3400	0.000	1	130.3400	0.000	1	130.3333	0.980	9	126.1492	12.854	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	O(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(N[5]C[5,6a]N[5])	130.1095	2.534	2	130.2177	1.298	6	130.3333	0.980	9	126.1492	12.854	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	O(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	O(N[5]C[5,6a]N[5])	130.2717	0.111	4	130.2177	1.298	6	130.3333	0.980	9	126.1492	12.854	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	O(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|Cl<1>,1|H<1>,2|C<3>}	O(N[5]C[5,6a]N[5])	129.9580	0.000	1	130.6770	1.034	2	130.3333	0.980	9	126.1492	12.854	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	O(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|H<1>,1|N<3>,2|C<3>}	O(N[5]C[5,6a]N[5])	131.3960	0.000	1	130.6770	1.034	2	130.3333	0.980	9	126.1492	12.854	25	129.4624	29.169	51	129.4624	29.169	51
542	727	863	0:SP2_SP2_SP2	N[5]	C[5,6a]	O	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]O)	O(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2N[5])(O){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]O){1|C<3>,2|C<4>,2|H<1>}	O(N[5]C[5,6a]C[5,6])	129.2050	0.000	1	129.2050	0.000	1	129.2050	0.000	1	129.2050	0.000	1	129.4624	29.169	51	129.4624	29.169	51
542	727	874	0:SP2_SP2_SP3	N[5,6,6]	C[5,6a]	B[3x6]	3:3:4:	3:3:3:	3:3:3:1:	N[5,6,6]-3:C[5,6a]-3:B[3x6]-4:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6,6]-3:N[5,6,6]-3:N[5,6,6]-3:H-1:	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(C[5,6a]C[5,6a]C[6a])(B[3x6]N[5,6,6]2H)	C[5,6a](N[5,6,6]N[5,6,6]B[3x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	B[3x6](N[5,6,6]N[5,6,6]C[5,6a])3(H)	N[5,6,6](N[5,6,6]Nb[3,3x6]C[5])(C[5,6a]C[5,6a]C[6a])(B[3x6]N[5,6,6]2H){2|Cl<1>,1|C<4>,1|H<1>,2|N<3>,6|C<3>}	C[5,6a](N[5,6,6]N[5,6,6]B[3x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Nb<7>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	B[3x6](N[5,6,6]N[5,6,6]C[5,6a])3(H){1|Nb<7>,9|C<3>}	129.6983	0.609	3	129.6983	0.371	3	129.6983	0.371	3	129.6983	0.371	3	129.6983	0.371	3	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,5a]	B[6]	3:3:4:	3:3:2:	3:3:3:2:	C[5,5a]-3:C[5,6]-3:B[6]-4:	C[5,5a]-3:N[5,6]-3:S[5a]-2:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	C[5,5a](C[5,5a]N[5a,6]S[5])(N[5,6]C[5,6]B[6])(S[5a]C[5a,6])	B[6](N[5,6]C[5,5a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|N<3>,7|C<3>}	C[5,5a](C[5,5a]N[5a,6]S[5])(N[5,6]C[5,6]B[6])(S[5a]C[5a,6]){1|B<4>,1|O<2>,4|C<3>}	B[6](N[5,6]C[5,5a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){2|S<2>,4|H<1>,7|C<3>}	130.0390	0.027	2	130.0390	0.001	2	130.0390	0.001	2	130.0390	0.001	2	130.0390	0.001	2	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6,6]	3:4:3:	3:3:3:	3:3:3:2:	C[5,6a]-3:B[6,6]-4:C[5,6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[5,6]-3:O[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6,6]C[6,6a]2O[6])(C[5,6]C[6,6a]N[5])	C[5,6a](N[5,6]B[6,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6,6]C[6,6a]2O[6])(C[5,6]C[6,6a]N[5]){1|H<1>,9|C<3>}	C[5,6a](N[5,6]B[6,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	B[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|B<4>,1|N<3>,2|H<1>,8|C<3>}	124.9220	0.000	1	124.9220	0.000	1	124.9220	0.000	1	124.9220	0.000	1	124.9220	0.000	1	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:O[6]-2:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]O[6]FF){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6])(F)2{1|N<3>,1|S<2>,3|C<3>}	125.4180	0.358	2	125.4180	0.128	2	127.7304	6.039	28	127.7081	5.639	30	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:O[6]-2:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(B[6]O[6]FF){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2{1|C<4>,4|C<3>}	123.8510	0.000	1	123.8510	0.000	1	127.7304	6.039	28	127.7081	5.639	30	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:O[6]-2:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]O[6]FF){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(F)2{1|O<2>,4|C<3>}	131.5710	0.000	1	131.5710	0.000	1	127.7304	6.039	28	127.7081	5.639	30	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:O[6]-2:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(B[6]O[6]FF){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|O<2>,4|C<3>}	131.5612	0.678	6	131.5612	0.460	6	127.7304	6.039	28	127.7081	5.639	30	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:O[6]-2:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	125.6420	1.108	3	125.9076	0.752	5	127.7304	6.039	28	127.7081	5.639	30	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:O[6]-2:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]O[6]FF){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	126.3060	0.148	2	125.9076	0.752	5	127.7304	6.039	28	127.7081	5.639	30	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:O[6]-2:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]F)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF){1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]F){1|C<3>,1|N<2>,1|O<2>,4|F<1>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|N<2>,1|S<2>,3|C<3>}	128.2610	0.000	1	128.2610	0.000	1	127.7304	6.039	28	127.7081	5.639	30	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:O[6]-2:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]O[6]FF){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6])(F)2{1|N<2>,1|S<2>,3|C<3>}	126.9189	0.624	12	126.9189	0.389	12	127.7304	6.039	28	127.7081	5.639	30	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	N[5,6]-3:N[5,6a]-3:C[6a]-3:	N[5,6]-3:O[6]-2:F-1:F-1:	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5a,6]C[5])(B[6]O[6]FF)	C[5,6a](N[5,6]C[5,6]B[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[5a,6])(F)2	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5a,6]C[5])(B[6]O[6]FF){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,6]C[5,6]B[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,3|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(O[6]C[5a,6])(F)2{1|N<2>,1|N<3>,3|C<3>}	127.3960	0.526	2	127.3960	0.277	2	127.3960	0.277	2	127.7081	5.639	30	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:Cl-1:Cl-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]O[5])(B[6]C[6,6a]Cl2)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(Cl)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]O[5])(B[6]C[6,6a]Cl2){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	B[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(Cl)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	129.9110	0.000	1	129.9110	0.000	1	129.9110	0.000	1	125.8037	4.963	28	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(B[6]N[5,6]FF)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(B[6]N[5,6]FF){1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|N<3>,1|O<1>,5|C<3>}	127.7480	0.000	1	127.7480	0.000	1	125.9018	8.188	4	125.8037	4.963	28	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|O<1>,1|S<2>,5|C<3>}	123.2900	0.000	1	123.4625	0.060	2	125.9018	8.188	4	125.8037	4.963	28	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5,6]FF){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|O<1>,1|S<2>,5|C<3>}	123.6350	0.000	1	123.4625	0.060	2	125.9018	8.188	4	125.8037	4.963	28	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(B[6]N[5,6]FF)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(B[6]N[5,6]FF){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|F<1>,3|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[5,6]C[5,6]C[5])(F)2{1|N<2>,1|N<3>,1|O<1>,4|C<3>}	128.9340	0.000	1	128.9340	0.000	1	125.9018	8.188	4	125.8037	4.963	28	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,1|N<2>,1|S<2>,4|C<3>}	123.9458	0.275	4	124.6467	4.395	6	124.6467	4.395	6	125.8037	4.963	28	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|N<2>,1|N<3>,1|S<2>,4|C<3>}	128.8640	0.000	1	124.6467	4.395	6	124.6467	4.395	6	125.8037	4.963	28	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[6,6]-3:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6,6]FF){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6,6]C[6,6]C[6])(F)2{1|N<2>,1|O<2>,1|S<2>,4|C<3>}	123.2330	0.000	1	124.6467	4.395	6	124.6467	4.395	6	125.8037	4.963	28	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[6]FF)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[6]FF){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,6|C<3>}	128.5396	0.249	5	128.5396	0.062	5	126.2171	3.821	14	125.8037	4.963	28	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	124.2560	0.751	2	124.9608	1.056	8	126.2171	3.821	14	125.8037	4.963	28	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	125.1957	1.049	6	124.9608	1.056	8	126.2171	3.821	14	125.8037	4.963	28	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]N[6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[6]FF){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]N[6])(F)2{1|S<2>,5|C<3>}	124.6550	0.000	1	124.6550	0.000	1	126.2171	3.821	14	125.8037	4.963	28	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]FF)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(F)2{1|O<2>,6|C<3>}	126.6470	0.000	1	126.6470	0.000	1	124.6887	3.366	3	125.8037	4.963	28	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5a,6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(B[6]N[5a,6]FF){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2{1|S<2>,6|C<3>}	123.0100	0.000	1	123.0100	0.000	1	124.6887	3.366	3	125.8037	4.963	28	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:F-1:F-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]N[5a,6]FF)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|F<1>,2|H<1>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6a]C[5,6])(F)2{1|N<2>,1|S<2>,5|C<3>}	124.4090	0.000	1	124.4090	0.000	1	124.6887	3.366	3	125.8037	4.963	28	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:2:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:C-2:C-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]N[5a,6]CC)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(CN)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<2>,2|C<3>,2|H<1>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(CN)2{1|S<2>,6|C<3>}	122.6750	0.000	1	122.6750	0.000	1	122.6750	0.000	1	124.9113	8.519	3	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:2:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:O-2:O-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]N[5a,6]OO)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6,6]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]S[5])(B[6]N[5a,6]OO){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	B[6](N[5a,6]C[5a,6,6]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2{1|S<2>,6|C<3>}	123.8460	0.000	1	123.8460	0.000	1	126.0295	9.535	2	124.9113	8.519	3	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:2:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:O-2:O-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]OO)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]N[5a,6]OO){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(OC[6a])2{1|O<2>,6|C<3>}	128.2130	0.000	1	128.2130	0.000	1	126.0295	9.535	2	124.9113	8.519	3	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|O<2>,4|H<1>,8|C<3>}	131.9665	1.426	2	131.9665	2.034	2	129.4859	3.333	7	129.8642	4.003	8	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2O[6]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|S<2>,4|H<1>,8|C<3>}	128.4936	0.429	5	128.4936	0.184	5	129.4859	3.333	7	129.8642	4.003	8	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:3:2:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[6a,6a]-3:C[5,6a]-3:N[5,6]-3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,6]C[5,6]B[6])	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]N[5])(B[6]C[6a]2O[6]){10|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5,6]C[5,6]B[6]){1|H<1>,1|O<2>,8|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,4|H<1>,8|C<3>}	132.5130	0.000	1	132.5130	0.000	1	132.5130	0.000	1	129.8642	4.003	8	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:3:4:4:	C[5,6a]-3:N[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(B[6]N[5,6]CC)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CCHH)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(B[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]B[6])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	B[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CCHH)2{1|B<4>,1|H<1>,5|C<3>}	126.6960	0.472	2	126.6960	0.223	2	126.6960	0.223	2	126.6960	0.223	2	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:3:4:	3:3:3:	3:4:3:3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2C[6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]S[5])(B[6]C[6a]2C[6]){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|S<2>,4|C<4>,8|C<3>}	128.7910	0.000	1	128.7910	0.000	1	128.7910	0.000	1	128.7910	0.000	1	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:4:3:	3:3:3:	3:3:3:1:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:N[5]-3:H-1:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]N[5]H)(C[5,6]S[5]S[6])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])2(N[5]C[5,6a]C[5])(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]N[5]H)(C[5,6]S[5]S[6]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|N<3>,3|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])2(N[5]C[5,6a]C[5])(H){1|S<1>,4|S<2>,6|C<3>}	119.2140	0.470	2	119.2140	0.220	2	119.2140	0.220	2	119.2140	0.220	2	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:4:3:	3:3:3:	3:3:3:2:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6]){1|S<2>,4|H<1>,8|C<3>}	128.5025	2.078	2	128.4587	2.165	3	128.4587	2.165	3	128.4587	2.165	3	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:4:3:	3:3:3:	3:3:3:2:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]C[6a]2O[6])(C[5,6]C[6]S[5]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2(O[6]C[6]){1|S<2>,4|H<1>,8|C<3>}	128.3710	0.000	1	128.4587	2.165	3	128.4587	2.165	3	128.4587	2.165	3	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]O[5])	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]O[5]){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2{1|O<2>,5|H<1>,9|C<3>}	126.9855	0.634	2	126.9855	0.402	2	126.2003	2.051	3	126.2003	2.051	3	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5,6]	C[5,6a]	B[6]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[6]-4:C[5,6]-3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5a,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2	N[5,6](C[5,6a]C[5,6a]C[6a])(B[6]N[5a,6]C[6a]2)(C[5,6]C[6,6a]S[5]){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	B[6](N[5a,6]C[5a,6,6a]C[5a,6a])(N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)2{10|C<3>,1|S<2>,4|H<1>}	124.6300	0.000	1	124.6300	0.000	1	126.2003	2.051	3	126.2003	2.051	3	126.8998	7.816	80	127.0024	7.891	87
542	727	874	0:SP2_SP2_SP3	N[5]	C[5,6a]	B[6]	3:4:3:	3:3:3:	3:3:3:1:	C[5,6a]-3:B[6]-4:C[5]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]2H)(C[5]S[5]S)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])2(N[5]C[5,6a]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(B[6]N[5,6]2H)(C[5]S[5]S){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|N<3>,3|H<1>}	B[6](N[5,6]C[5,6a]C[5,6])2(N[5]C[5,6a]C[5])(H){1|S<1>,4|S<2>,6|C<3>}	123.1300	0.000	1	123.1300	0.000	1	123.1300	0.000	1	123.1300	0.000	1	123.1300	0.000	1	127.0024	7.891	87
542	727	880	0:SP2_SP2_SP3	N[5]	C[5,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si)	Si(N[5]C[5,6a]C[5])(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3){1|Si<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|Si<4>,1|C<3>,1|S<1>,2|H<1>}	Si(N[5]C[5,6a]C[5])(CH3)3	131.5980	0.994	2	130.6600	1.979	4	130.6600	1.979	4	130.6600	1.979	4	129.2269	10.142	9	129.2269	10.142	9
542	727	880	0:SP2_SP2_SP3	N[5]	C[5,6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si)	Si(N[5]C[5,6a]C[5])(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SiC3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|C<3>,1|S<1>,3|H<1>}	Si(N[5]C[5,6a]C[5])(CH3)3	129.7220	1.195	2	130.6600	1.979	4	130.6600	1.979	4	130.6600	1.979	4	129.2269	10.142	9	129.2269	10.142	9
542	727	880	0:SP2_SP2_SP3	N[5]	C[5,6a]	Si	4:3:4:	3:3:3:	3:4:4:4:	C[4,5]-4:C[5,6a]-3:Si-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	Si(N[5]C[5,6a]C[4,5])(CH3)3	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C[6a])(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<6>,2|H<1>,4|B<6>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){2|C<3>,2|C<6>,3|H<1>}	Si(N[5]C[5,6a]C[4,5])(CH3)3	124.2880	0.000	1	124.2880	0.000	1	128.6302	18.121	4	128.0804	15.102	5	129.2269	10.142	9	129.2269	10.142	9
542	727	880	0:SP2_SP2_SP3	N[5]	C[5,6a]	Si	4:3:4:	3:3:3:	3:4:4:4:	C[4,5]-4:C[5,6a]-3:Si-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]C)	Si(N[5]C[5,6a]C[4,5])(CH3)3	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<4>,1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]C){1|C<3>,2|C<6>,4|H<1>}	Si(N[5]C[5,6a]C[4,5])(CH3)3	134.4640	0.000	1	134.4640	0.000	1	128.6302	18.121	4	128.0804	15.102	5	129.2269	10.142	9	129.2269	10.142	9
542	727	880	0:SP2_SP2_SP3	N[5]	C[5,6a]	Si	4:3:4:	3:3:3:	3:4:4:4:	C[4,5]-4:C[5,6a]-3:Si-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	Si(N[5]C[5,6a]C[4,5])(CH3)3	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<4>,1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|C<6>,3|H<1>}	Si(N[5]C[5,6a]C[4,5])(CH3)3	127.4590	0.000	1	127.8845	0.362	2	128.6302	18.121	4	128.0804	15.102	5	129.2269	10.142	9	129.2269	10.142	9
542	727	880	0:SP2_SP2_SP3	N[5]	C[5,6a]	Si	4:3:4:	3:3:3:	3:4:4:4:	C[4,5]-4:C[5,6a]-3:Si-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	Si(N[5]C[5,6a]C[4,5])(CH3)3	N[5](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<6>,2|C<3>,2|H<1>,4|B<6>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){1|C<3>,2|C<6>,4|H<1>}	Si(N[5]C[5,6a]C[4,5])(CH3)3	128.3100	0.000	1	127.8845	0.362	2	128.6302	18.121	4	128.0804	15.102	5	129.2269	10.142	9	129.2269	10.142	9
542	727	880	0:SP2_SP2_SP3	N[5]	C[5,6a]	Si	4:3:4:	3:3:3:	3:4:4:4:	C[5]-4:C[5,6a]-3:Si-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Si)	Si(N[5]C[5,6a]C[5])(CH3)3	N[5](C[5]C[5x3,5x5,20x6]C[5]H)(C[5,6a]C[5,6a]C[6a])(SiC3){1|C<4>,1|C<5>,1|H<1>,2|C<3>,4|B<6>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|C<3>,1|C<4>,1|C<6>,3|H<1>}	Si(N[5]C[5,6a]C[5])(CH3)3	125.8810	0.000	1	125.8810	0.000	1	125.8810	0.000	1	128.0804	15.102	5	129.2269	10.142	9	129.2269	10.142	9
542	727	885	5:SP2_SP-NON_SP2	N[5,6]	C[5,6,6a]	Ga[5]	3:4:3:	3:3:3:	3:3:2:2:	C[5,6,6a]-3:Ga[5]-4:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6a]-3:N[5,6]-3:O-2:O-2:	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ga[5]N[5,6a]OO)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6])	Ga[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(OC[6a])2	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ga[5]N[5,6a]OO)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ga[5]C[6]){2|O<2>,3|H<1>,4|C<3>}	Ga[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(OC[6a])2{2|H<1>,4|C<3>}	113.3390	0.000	1	113.3390	0.000	1	113.3390	0.000	1	113.3390	0.000	1	113.3390	0.000	1	112.8983	2.197	6
542	727	885	5:SP2_SP-NON_SP2	N[5]	C[5,6a]	Ga[5,5]	3:4:3:	3:3:3:	3:3:3:4:	C[5,6a]-3:Ga[5,5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:O[5,5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H)	Ga[5,5](N[5]C[5,6a]C[6a])2(O[5,5]C[5,6a]2)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]C)(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	Ga[5,5](N[5]C[5,6a]C[6a])2(O[5,5]C[5,6a]2)(CH3){8|C<3>}	111.6715	1.179	2	111.6715	1.389	2	111.6715	1.389	2	111.6715	1.389	2	113.0750	3.116	4	112.8983	2.197	6
542	727	885	5:SP2_SP-NON_SP2	N[5]	C[5,6a]	Ga[5,5]	3:4:4:	3:3:3:	3:3:3:3:	C[5,6a]-3:Ga[5,5]-4:C[5]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:O[5,5]-3:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]N)(C[5]C[5]2H)	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[5])(C[6a]C[6a]H)	Ga[5,5](N[5]C[5,6a]C[5])2(O[5,5]C[5,6a]2)(NCC)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]O[5,5]N[5]N)(C[5]C[5]2H){3|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	Ga[5,5](N[5]C[5,6a]C[5])2(O[5,5]C[5,6a]2)(NCC){2|H<1>,4|C<3>,4|C<4>}	114.4785	0.281	2	114.4785	0.079	2	114.4785	0.079	2	114.4785	0.079	2	113.0750	3.116	4	112.8983	2.197	6
542	727	885	5:SP2_SP-NON_SP2	N[5]	C[5,6a]	Ga[5]	3:4:3:	3:3:3:	3:2:4:4:	C[5,6a]-3:Ga[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]O[5]CC)(CCC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Ga[5]C)	Ga[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]O[5]CC)(CCC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Ga[5]C){1|C<3>,4|C<4>}	Ga[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	111.7510	0.000	1	111.7510	0.000	1	111.7510	0.000	1	111.7510	0.000	1	111.7510	0.000	1	112.8983	2.197	6
542	727	891	5:SP2_SP2_SP2	N[5]	C[5,5a]	S[5]	3:3:2:	3:3:2:	3:3:	C[5,5a]-3:C[6a]-3:S[5]-2:	N[5,5a]-3:N[5]-3:N[5a]-2:	N[5]-3:C[5]-3:	N[5](C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]2)(S[5]C[5])	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5]C[6a]S[5])(N[5a]C[5a,6a])	S[5](N[5]C[5,5a]C[6a])(C[5]N[5,5a]N)	N[5](C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]2)(S[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5]C[6a]S[5])(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	S[5](N[5]C[5,5a]C[6a])(C[5]N[5,5a]N){1|N<2>,3|C<3>}	112.1940	0.000	1	112.1940	0.000	1	112.1940	0.000	1	112.1940	0.000	1	112.1940	0.000	1	110.9693	1.164	3
542	727	891	5:SP2_SP2_SP2	N[5]	C[5,6a]	S[5]	3:2:4:	3:3:3:	3:2:	C[5,6a]-3:S[5]-2:B-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(BC[6a]3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]B)	S[5](N[5]C[5,6a]B)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(BC[6a]3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]B){1|Br<1>,1|C<3>,1|H<1>}	S[5](N[5]C[5,6a]B)(N[5]C[5,6a]){2|C<3>}	110.5560	0.000	1	110.5560	0.000	1	110.5560	0.000	1	110.3570	0.079	2	110.3570	0.079	2	110.9693	1.164	3
542	727	891	5:SP2_SP2_SP2	N[5]	C[5,6a]	S[5]	3:2:4:	3:3:3:	3:2:	C[5,6a]-3:S[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C)	S[5](N[5]C[5,6a]C)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(CH3){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C){1|C<3>,2|H<1>}	S[5](N[5]C[5,6a]C)(N[5]C[5,6a]){2|C<3>}	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	110.3570	0.079	2	110.3570	0.079	2	110.9693	1.164	3
542	727	891	5:SP2_SP2_SP3	N[5]	C[5,6a]	S[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]H)	S[5](N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]H){2|H<1>,4|C<3>}	S[5](N[5]C[5,6a]H)2{2|C<3>}	107.1950	0.000	1	107.1950	0.000	1	106.7410	0.365	4	106.7410	0.365	4	106.7410	0.365	4	106.7410	0.365	4
542	727	891	5:SP2_SP2_SP3	N[5]	C[5,6a]	S[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H)	S[5](N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){1|C<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H){1|C<3>,3|H<1>}	S[5](N[5]C[5,6a]H)2{2|C<3>}	106.0560	0.000	1	106.6775	0.773	2	106.7410	0.365	4	106.7410	0.365	4	106.7410	0.365	4	106.7410	0.365	4
542	727	891	5:SP2_SP2_SP3	N[5]	C[5,6a]	S[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H)	S[5](N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H){2|C<3>,2|H<1>}	S[5](N[5]C[5,6a]H)2{2|C<3>}	107.2990	0.000	1	106.6775	0.773	2	106.7410	0.365	4	106.7410	0.365	4	106.7410	0.365	4	106.7410	0.365	4
542	727	891	5:SP2_SP2_SP3	N[5]	C[5,6a]	S[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]H)	S[5](N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]H){1|C<2>,1|C<3>,2|H<1>}	S[5](N[5]C[5,6a]H)2{2|C<3>}	106.4140	0.000	1	106.4140	0.000	1	106.7410	0.365	4	106.7410	0.365	4	106.7410	0.365	4	106.7410	0.365	4
542	727	893	0:SP2_SP2_SP3	N[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	O(N[5]C[5,6a]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	O(N[5]C[5,6a]C[5])(H)	121.5325	1.930	2	121.5325	3.724	2	121.5325	3.724	2	121.5325	3.724	2	118.5180	18.464	8	118.5180	18.464	8
542	727	893	0:SP2_SP2_SP3	N[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]O)	O(N[5]C[5,6a]C[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(N[5]C[5,6a]C[5])(CH3)	119.2960	0.000	1	119.2960	0.000	1	121.4667	3.730	3	121.4667	3.730	3	118.5180	18.464	8	118.5180	18.464	8
542	727	893	0:SP2_SP2_SP3	N[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	O(N[5]C[5,6a]C[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(N[5]C[5,6a]C[5])(CH3)	122.5520	0.626	2	122.5520	0.392	2	121.4667	3.730	3	121.4667	3.730	3	118.5180	18.464	8	118.5180	18.464	8
542	727	893	0:SP2_SP2_SP3	N[5]	C[5,6a]	O	3:4:2:	3:3:3:	3:1:	C[5,6a]-3:C[5,5]-4:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O)	O(N[5]C[5,6a]C[5,5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(N[5]C[5,6a]C[5,5])(H)	113.5597	0.163	3	113.5597	0.027	3	113.5597	0.027	3	113.5597	0.027	3	118.5180	18.464	8	118.5180	18.464	8
542	727	893	0:SP3_SP2_SP3	N[5]	C[5,6a]	O	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	O(N[5]C[5,6a]C[5])(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(N[5]C[5,6a]C[5])(CH3)	120.2550	0.000	1	120.2550	0.000	1	120.2550	0.000	1	120.2550	0.000	1	113.5368	11.974	6	113.5368	11.974	6
542	727	893	0:SP3_SP2_SP3	N[5]	C[5,6a]	O	3:4:2:	3:3:3:	3:1:	C[5,6a]-3:C[5,5]-4:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O)	O(N[5]C[5,6a]C[5,5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(N[5]C[5,6a]C[5,5])(H)	113.7750	0.000	1	113.7750	0.000	1	113.7750	0.000	1	111.9895	1.627	4	113.5368	11.974	6	113.5368	11.974	6
542	727	893	0:SP3_SP2_SP3	N[5]	C[5,6a]	O	3:4:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-4:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	O(N[5]C[5,6a]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(OH){1|H<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){3|H<1>,4|C<3>}	O(N[5]C[5,6a]C[5])(H)	111.2680	0.000	1	111.2680	0.000	1	111.3943	0.315	3	111.9895	1.627	4	113.5368	11.974	6	113.5368	11.974	6
542	727	893	0:SP3_SP2_SP3	N[5]	C[5,6a]	O	3:4:2:	3:3:3:	3:1:	C[5,6a]-3:C[5]-4:O-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	O(N[5]C[5,6a]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(OH){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){3|H<1>,4|C<3>}	O(N[5]C[5,6a]C[5])(H)	111.4575	0.779	2	111.4575	0.606	2	111.3943	0.315	3	111.9895	1.627	4	113.5368	11.974	6	113.5368	11.974	6
542	727	893	0:SP3_SP2_SP3	N[5]	C[5,6a]	O	4:3:2:	3:3:3:	3:4:	C[5,5,6]-4:C[5,6a]-3:O-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C-4:	N[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]O)(C[6a]C[6a]H)	O(N[5]C[5,5,6]C[5,6a])(CH3)	N[5](C[5,5,6]C[5,6]N[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(OC){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	O(N[5]C[5,5,6]C[5,6a])(CH3)	113.0080	0.000	1	113.0080	0.000	1	113.0080	0.000	1	113.0080	0.000	1	113.5368	11.974	6	113.5368	11.974	6
542	727	928	5:SP2_SP2_SPD6	N[5,5]	C[5,6a]	Si[3x5]	6:3:3:	3:3:3:	3:3:3:3:3:3:	Si[3x5]-6:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	N[5,5a]-3:N[5,5a]-3:N[5,5]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	N[5,5](Si[3x5]N[5,5a]2N[5,5]C[6a]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5,5]Si[3x5]C[5])(C[6a]C[6a]H)	Si[3x5](N[5,5a]C[5,5a]C[5a])2(N[5,5]C[5,6a]C[5])2(C[6a]C[6a]2)2	N[5,5](Si[3x5]N[5,5a]2N[5,5]C[6a]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H){11|C<3>,1|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5,5]Si[3x5]C[5])(C[6a]C[6a]H){2|N<3>,3|H<1>,5|C<3>}	Si[3x5](N[5,5a]C[5,5a]C[5a])2(N[5,5]C[5,6a]C[5])2(C[6a]C[6a]2)2{10|C<3>,8|H<1>}	115.8969	0.241	8	115.8969	0.058	8	115.8969	0.058	8	115.8969	0.058	8	115.8969	0.058	8	114.3611	3.455	25
542	727	928	5:SP2_SP2_SPD6	N[5,6]	C[5,6,6a]	Si[3x5]	6:3:3:	3:3:3:	3:3:3:3:2:2:	Si[3x5]-6:C[5,6,6a]-3:C[6]-3:	C[5,6a,6a]-3:N[5,6]-3:C[6,6a]-3:	N[5,6a]-3:N[5,6a]-3:N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:	N[5,6](Si[3x5]N[5,6a]2N[5,6]O[5]2)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Si[3x5]C[6])(C[6,6a]C[6a]C[6])	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2	N[5,6](Si[3x5]N[5,6a]2N[5,6]O[5]2)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H){10|C<3>,1|H<1>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(N[5,6]Si[3x5]C[6])(C[6,6a]C[6a]C[6]){2|N<3>,2|O<2>,3|H<1>,4|C<3>}	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2{10|C<3>,4|H<1>}	113.2080	0.000	1	113.2080	0.000	1	113.2080	0.000	1	113.2080	0.000	1	113.2080	0.000	1	114.3611	3.455	25
542	727	928	5:SP2_SP2_SPD6	N[5,6]	C[5,6,6a]	Si[5]	3:6:3:	3:3:3:	3:3:1:1:1:1:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:Cl-1:Cl-1:	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]Cl4)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	Si[5](N[5,6]C[5,6,6a]C[6])2(Cl)4	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]Cl4)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){4|Cl<1>,3|H<1>,4|C<3>}	Si[5](N[5,6]C[5,6,6a]C[6])2(Cl)4{2|H<1>,4|C<3>}	113.2865	0.018	2	113.2865	0.000	2	113.2865	0.000	2	113.2207	0.013	3	113.6697	0.241	10	114.3611	3.455	25
542	727	928	5:SP2_SP2_SPD6	N[5,6]	C[5,6,6a]	Si[5]	3:6:3:	3:3:3:	3:3:1:1:1:1:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6a]-3:N[5,6]-3:Cl-1:Cl-1:Cl-1:Cl-1:	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]Cl4)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(Cl)4	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]Cl4)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){4|Cl<1>,3|H<1>,4|C<3>}	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(Cl)4{2|H<1>,4|C<3>}	113.0890	0.000	1	113.0890	0.000	1	113.0890	0.000	1	113.2207	0.013	3	113.6697	0.241	10	114.3611	3.455	25
542	727	928	5:SP2_SP2_SPD6	N[5,6]	C[5,6,6a]	Si[5]	3:6:3:	3:3:3:	3:3:2:1:1:1:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6a]-3:N[5,6]-3:C-2:F-1:F-1:F-1:	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]CF3)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]CF3)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){1|C<2>,3|F<1>,3|H<1>,4|C<3>}	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3{2|H<1>,4|C<3>}	114.3475	0.144	2	114.3475	0.021	2	114.3475	0.021	2	114.3475	0.021	2	113.6697	0.241	10	114.3611	3.455	25
542	727	928	5:SP2_SP2_SPD6	N[5,6]	C[5,6,6a]	Si[5]	3:6:3:	3:3:3:	3:3:2:2:2:2:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:N[5,6]-3:N-2:N-2:N-2:N-2:	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N4)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	Si[5](N[5,6]C[5,6,6a]C[6])2(NC)4	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N4)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){3|H<1>,4|C<3>,4|N<2>}	Si[5](N[5,6]C[5,6,6a]C[6])2(NC)4{2|H<1>,4|C<3>}	114.0215	0.095	2	114.0215	0.009	2	114.0215	0.009	2	114.0215	0.009	2	113.6697	0.241	10	114.3611	3.455	25
542	727	928	5:SP2_SP2_SPD6	N[5,6]	C[5,6,6a]	Si[5]	3:6:3:	3:3:3:	3:3:3:3:2:2:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N[5a]2NN)(C[6]C[6]H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N[5a]2NN)(C[6]C[6]H){1|H<1>,4|C<3>,4|N<2>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	113.5730	0.226	2	113.5730	0.051	2	113.5730	0.051	2	113.4323	0.085	3	113.6697	0.241	10	114.3611	3.455	25
542	727	928	5:SP2_SP2_SPD6	N[5,6]	C[5,6,6a]	Si[5]	3:6:3:	3:3:3:	3:3:3:3:2:2:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6a]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]N[5a]2NN)(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]N[5a]2NN)(C[6]C[6]H){1|H<1>,4|C<3>,4|N<2>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	113.1510	0.000	1	113.1510	0.000	1	113.1510	0.000	1	113.4323	0.085	3	113.6697	0.241	10	114.3611	3.455	25
542	727	928	5:SP2_SP2_SPD6	N[5,6]	C[5,6a]	Si[5,6,6]	6:3:3:	3:3:3:	3:3:2:2:2:2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|C<4>,2|H<1>,8|C<3>}	116.3050	0.000	1	116.3670	0.024	3	116.3670	0.024	3	116.3670	0.024	3	114.6644	5.503	5	114.3611	3.455	25
542	727	928	5:SP2_SP2_SPD6	N[5,6]	C[5,6a]	Si[5,6,6]	6:3:3:	3:3:3:	3:3:2:2:2:2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	116.2530	0.000	1	116.3670	0.024	3	116.3670	0.024	3	116.3670	0.024	3	114.6644	5.503	5	114.3611	3.455	25
542	727	928	5:SP2_SP2_SPD6	N[5,6]	C[5,6a]	Si[5,6,6]	6:3:3:	3:3:3:	3:3:2:2:2:2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,4|C<4>,6|C<3>}	116.5430	0.000	1	116.3670	0.024	3	116.3670	0.024	3	116.3670	0.024	3	114.6644	5.503	5	114.3611	3.455	25
542	727	928	5:SP2_SP2_SPD6	N[5,6]	C[5,6a]	Si[5,6,6]	6:3:3:	3:3:3:	3:3:3:3:2:2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){12|C<3>,1|H<1>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,6|C<3>}	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2{11|C<3>,5|H<1>}	111.7770	0.000	1	111.7770	0.000	1	112.1105	0.222	2	112.1105	0.222	2	114.6644	5.503	5	114.3611	3.455	25
542	727	928	5:SP2_SP2_SPD6	N[5,6]	C[5,6a]	Si[5,6,6]	6:3:3:	3:3:3:	3:3:3:3:2:2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H){10|C<3>,1|H<1>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2{11|C<3>,5|H<1>}	112.4440	0.000	1	112.4440	0.000	1	112.1105	0.222	2	112.1105	0.222	2	114.6644	5.503	5	114.3611	3.455	25
542	727	928	5:SP2_SP2_SPD6	N[5,6]	C[5,6a]	Si[5,6]	6:3:3:	3:3:3:	3:3:3:2:2:3:	Si[5,6]-6:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	N[5,6](Si[5,6]C[6a]N[5a]N[5]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O)	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	N[5,6](Si[5,6]C[6a]N[5a]N[5]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O){10|C<3>,1|H<1>}	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	108.6250	0.000	1	114.3611	3.455	25
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C(N[5]C[5,6a]N[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	C(N[5]C[5,6a]N[5])(CCH)(O)	127.4847	0.872	3	127.4847	0.761	3	127.4847	0.761	3	127.4847	0.761	3	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[6]-3:N-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CN[6]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C(N[5]C[5,6a]N[5])(N[6]C[6]2)(NCC)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CN[6]N){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	C(N[5]C[5,6a]N[5])(N[6]C[6]2)(NCC)	127.8560	0.000	1	127.8560	0.000	1	127.8560	0.000	1	127.8560	0.000	1	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:2:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5]-2:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	C(N[5]C[5,6a]N[5])(CCHN)(O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	C(N[5]C[5,6a]N[5])(CCHN)(O)	127.4540	0.000	1	127.4540	0.000	1	127.4540	0.000	1	127.4540	0.000	1	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CHH){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5])(H)2	124.8360	0.000	1	124.8360	0.000	1	124.8360	0.000	1	124.8360	0.000	1	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]C[5])(COO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5,6]C[5])(COO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5,5])(OC)(O)	125.2680	0.000	1	125.2680	0.000	1	125.2680	0.000	1	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,6]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(COO){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,6])(OC)(O)	124.0660	0.000	1	124.0660	0.000	1	124.0660	0.000	1	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CHO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(H)	124.1195	0.257	2	124.1195	0.066	2	124.1195	0.066	2	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	122.8723	1.033	7	122.8284	0.930	8	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(N[5]C[5,6a]C[5])(OC)(O)	122.5210	0.000	1	122.8284	0.930	8	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	122.8170	0.000	1	123.7525	2.043	38	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	123.6215	0.408	4	123.7525	2.043	38	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	123.7415	0.199	2	123.7525	2.043	38	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(OC)(O)	128.6390	0.000	1	123.7525	2.043	38	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	123.5963	0.892	11	123.7525	2.043	38	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	123.7459	1.525	18	123.7525	2.043	38	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(N[5]C[5,6a]C[5])(OC)(O)	122.1850	0.000	1	123.7525	2.043	38	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	123.4937	0.655	3	123.4937	0.429	3	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	124.9913	3.044	3	124.2492	5.844	20	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	124.1182	2.379	17	124.2492	5.844	20	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	121.1590	0.000	1	121.1590	0.000	1	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	122.8920	0.000	1	122.8920	0.000	1	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	124.1080	0.000	1	124.1080	0.000	1	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	123.4010	0.000	1	123.8155	3.309	46	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	122.6628	0.448	8	123.8155	3.309	46	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	123.0390	0.000	1	123.8155	3.309	46	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	123.4670	0.000	1	123.8155	3.309	46	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(OC)(O)	123.6050	0.000	1	123.8155	3.309	46	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(N[5]C[5,6a]C[5])(OC)(O)	122.9215	0.278	2	123.8155	3.309	46	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	124.4677	1.905	17	123.8155	3.309	46	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(N[5]C[5,6a]C[5])(OC)(O)	124.3760	0.000	1	123.8155	3.309	46	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(OC)(O)	128.8790	0.000	1	123.8155	3.309	46	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	123.1046	0.552	10	123.8155	3.309	46	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(COO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(OC)(O)	124.8677	3.996	3	123.8155	3.309	46	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(ORu)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(COO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5])(ORu)(O)	131.6590	0.000	1	131.6590	0.000	1	123.8321	3.597	119	123.8503	3.498	123	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CCH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(CCH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,2|O<2>}	C(N[5]C[5,6a]C[5])(CCH)(H)	123.9770	0.000	1	123.9770	0.000	1	122.8850	2.385	2	123.4501	1.534	23	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CCH)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CN[5]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]S)(CCH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	C(N[5]C[5,6a]C[5])(CN[5]H)(H)	121.7930	0.000	1	121.7930	0.000	1	122.8850	2.385	2	123.4501	1.534	23	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	124.7580	0.000	1	124.6925	0.009	2	124.0314	1.271	10	123.4501	1.534	23	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CC[6a]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	124.6270	0.000	1	124.6925	0.009	2	124.0314	1.271	10	123.4501	1.534	23	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]O){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|P<4>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	124.0190	0.000	1	124.0190	0.000	1	124.0314	1.271	10	123.4501	1.534	23	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	122.9930	0.000	1	123.9253	0.390	4	124.0314	1.271	10	123.4501	1.534	23	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	124.2610	0.081	2	123.9253	0.390	4	124.0314	1.271	10	123.4501	1.534	23	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	124.1860	0.000	1	123.9253	0.390	4	124.0314	1.271	10	123.4501	1.534	23	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	126.1290	0.000	1	126.1290	0.000	1	124.0314	1.271	10	123.4501	1.534	23	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	122.0450	0.000	1	122.0450	0.000	1	124.0314	1.271	10	123.4501	1.534	23	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pd)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	123.0350	0.000	1	123.0350	0.000	1	124.0314	1.271	10	123.4501	1.534	23	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CNO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(NC[6a]H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CNO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(NC[6a]H)(O)	123.7417	0.276	6	123.7417	0.076	6	123.8213	0.108	7	123.4501	1.534	23	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(NCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CNO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C(N[5]C[5,6a]C[5])(NCH)(O)	124.2990	0.000	1	124.2990	0.000	1	123.8213	0.108	7	123.4501	1.534	23	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CNS)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(NCC)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(CNS){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	C(N[5]C[5,6a]C[5])(NCC)(S)	120.9700	0.000	1	120.9700	0.000	1	120.9700	0.000	1	123.4501	1.534	23	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CC[6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5,6]C)	C(N[5]C[5,6a]N[5,6])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CC[6a]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5,6]C){3|C<3>,3|H<1>}	C(N[5]C[5,6a]N[5,6])(C[6a]C[6a]2)(O)	121.3160	0.000	1	121.3160	0.000	1	121.3160	0.000	1	123.4501	1.534	23	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:S[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]S[5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]O)(CC[6a]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C){1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]S[5])(O)	122.1170	0.164	2	122.1170	0.027	2	122.1170	0.027	2	123.4501	1.534	23	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN[6a]H)	128.3120	0.000	1	128.3120	0.000	1	128.3120	0.000	1	128.3120	0.000	1	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(CCN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C(N[5]C[5,6a]N[5])(NReH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(CCN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	C(N[5]C[5,6a]N[5])(NReH)(CH3)	134.2110	0.716	2	134.2110	0.512	2	134.0570	0.327	3	134.0570	0.327	3	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(CCN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	C(N[5]C[5,6a]N[5])(NRuH)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(CCN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ru<6>,1|C<3>,3|H<1>}	C(N[5]C[5,6a]N[5])(NRuH)(CH3)	133.7490	0.000	1	133.7490	0.000	1	134.0570	0.327	3	134.0570	0.327	3	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]N[6])(CCO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]N[6])(CCO){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(N[5]C[5,6a]C[5,6])(CH3)(O)	124.3650	0.000	1	124.3650	0.000	1	124.3650	0.000	1	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(H)	124.2140	0.000	1	124.2140	0.000	1	124.2140	0.000	1	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	124.5916	0.518	17	124.5916	0.269	17	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	124.4145	0.414	2	124.6039	0.409	16	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	124.3317	0.253	3	124.6039	0.409	16	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	125.1056	0.246	7	124.6039	0.409	16	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(N[5]C[5,6a]C[5])(CH3)(O)	124.0247	0.830	4	124.6039	0.409	16	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	125.1250	0.000	1	124.4325	0.387	10	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	124.4541	0.583	7	124.4325	0.387	10	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(N[5]C[5,6a]C[5])(CH3)(O)	124.0105	0.776	2	124.4325	0.387	10	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	122.6820	0.105	2	122.6820	0.011	2	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CC[6a]2H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CC[6a]2H)(O)	123.4460	0.412	2	123.4460	0.169	2	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	125.1273	0.640	4	124.6631	0.294	16	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	124.4830	0.000	1	124.6631	0.294	16	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	124.4220	0.000	1	124.6631	0.294	16	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	124.6380	0.000	1	124.6631	0.294	16	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	124.5215	0.988	2	124.6631	0.294	16	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	124.5304	0.503	5	124.6631	0.294	16	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	124.4350	0.000	1	124.6631	0.294	16	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CCO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	124.4270	0.000	1	124.6631	0.294	16	124.4906	0.453	63	124.4844	0.440	65	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[5,5,6]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(N[5]C[5,6a]C[5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(CC[5,5,6]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(N[5]C[5,6a]C[5])(O)	123.9595	0.482	2	123.9595	0.232	2	123.9595	0.232	2	123.9595	0.232	2	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C-3:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	C(N[5]C[5,6a]C[5])(CCH)(O)	133.2550	0.000	1	133.2550	0.000	1	133.2550	0.000	1	133.2550	0.000	1	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:2:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CCCF)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CCCF)(O)	123.6330	0.000	1	123.6330	0.000	1	131.5225	3.055	27	131.5500	2.876	29	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:2:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CCCH)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CCCH)(O)	132.0741	0.620	9	132.0741	0.384	9	131.5225	3.055	27	131.5500	2.876	29	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:2:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CCFH)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CCFH)(O)	131.9000	0.078	2	131.9000	0.006	2	131.5225	3.055	27	131.5500	2.876	29	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:2:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CCHH)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	C(N[5]C[5,6a]C[5])(CCHH)(O)	131.2645	1.313	2	131.2230	0.585	4	131.5225	3.055	27	131.5500	2.876	29	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:2:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CCHH)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CCHH)(O)	131.1815	0.153	2	131.2230	0.585	4	131.5225	3.055	27	131.5500	2.876	29	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:2:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CCHN)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CCHN)(O)	131.9140	0.089	2	131.9140	0.008	2	131.5225	3.055	27	131.5500	2.876	29	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:2:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CClCH)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CClCH)(O)	132.3888	0.436	6	132.3888	0.191	6	131.5225	3.055	27	131.5500	2.876	29	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:2:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CFHH)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CFHH)(O)	130.3005	0.432	2	130.3005	0.187	2	131.5225	3.055	27	131.5500	2.876	29	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:2:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	131.3540	0.000	1	131.3540	0.000	1	131.5225	3.055	27	131.5500	2.876	29	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:2:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[5]C[5]2H)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[5]O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(C[5]C[5]2H)(O)	132.5540	0.000	1	132.5540	0.000	1	132.5540	0.000	1	131.5500	2.876	29	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:2:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C[6]-4:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6]O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6]O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(C[6]C[6]2H)(O)	131.2890	0.000	1	131.2890	0.000	1	131.2890	0.000	1	131.5500	2.876	29	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:N[5]-3:N[6a]-2:	N[5]-3:C-3:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5,5]N[5,5]C[5]H)(CCH)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a])	C(N[5]C[5,6a]C[5,5])(CCH)(H)	N[5](C[5,6a]C[5,6a]N[6a])(C[5,5]N[5,5]C[5]H)(CCH){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]C)(N[6a]C[6a]){1|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5,5])(CCH)(H)	127.1633	1.892	4	127.1633	3.581	4	127.1633	3.581	4	127.1633	3.581	4	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:H-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(CHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(H)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(CHO){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(H)(O)	125.8680	0.000	1	125.8680	0.000	1	125.8680	0.000	1	125.8680	0.000	1	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[3,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	C(N[5]C[5,6a]C[3,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)(COO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	C(N[5]C[5,6a]C[3,5])(OC)(O)	126.2740	0.000	1	126.2740	0.000	1	126.2740	0.000	1	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[4,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]C)(COO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C(N[5]C[5,6a]C[4,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]C)(COO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(N[5]C[5,6a]C[4,5])(OC)(O)	122.6000	0.000	1	122.6000	0.000	1	122.6000	0.000	1	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(COO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(COO){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	124.9060	0.000	1	124.9060	0.000	1	124.9060	0.000	1	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(OC)(O)	126.3000	0.000	1	126.8766	5.747	16	126.7684	5.587	17	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|C<4>,1|H<1>,1|S<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(OC)(O)	124.6400	0.000	1	126.8766	5.747	16	126.7684	5.587	17	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C(N[5]C[5,6a]C[5,5])(OC)(O)	125.0240	0.953	2	126.8766	5.747	16	126.7684	5.587	17	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(OC)(O)	124.6600	0.000	1	126.8766	5.747	16	126.7684	5.587	17	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(OC)(O)	131.1380	0.000	1	126.8766	5.747	16	126.7684	5.587	17	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(OC)(O)	127.5020	0.956	2	126.8766	5.747	16	126.7684	5.587	17	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(OC)(O)	125.4715	2.142	2	126.8766	5.747	16	126.7684	5.587	17	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(N[5]C[5,6a]C[5,5])(OC)(O)	124.6165	0.993	2	126.8766	5.747	16	126.7684	5.587	17	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(COO){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(OC)(O)	129.5150	0.499	4	126.8766	5.747	16	126.7684	5.587	17	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(OC)(O)	125.0370	0.000	1	125.0370	0.000	1	126.7684	5.587	17	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,6])(OC)(O)	125.5610	0.000	1	125.2017	0.105	3	124.7890	4.688	9	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5,6])(OC)(O)	125.1120	0.000	1	125.2017	0.105	3	124.7890	4.688	9	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(COO){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,6])(OC)(O)	124.9320	0.000	1	125.2017	0.105	3	124.7890	4.688	9	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(COO){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5,6])(OC)(O)	123.5150	0.000	1	123.5150	0.000	1	124.7890	4.688	9	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(N[5]C[5,6a]C[5,6])(OC)(O)	128.1160	0.000	1	124.7962	8.791	5	124.7890	4.688	9	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO){3|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	C(N[5]C[5,6a]C[5,6])(OC)(O)	123.9663	2.670	4	124.7962	8.791	5	124.7890	4.688	9	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(COO)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	124.2510	0.000	1	124.2510	0.000	1	124.2510	0.000	1	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]H)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]H)(COO){2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|B<3>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	122.7650	0.000	1	122.7650	0.000	1	125.6879	4.850	21	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	128.3437	3.545	3	127.0082	9.803	5	125.6879	4.850	21	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	125.0050	0.841	2	127.0082	9.803	5	125.6879	4.850	21	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	124.9050	0.000	1	124.9050	0.000	1	125.6879	4.850	21	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(COO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	125.3810	3.835	2	125.3810	14.710	2	125.6879	4.850	21	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	125.7850	0.000	1	125.7850	0.000	1	125.6879	4.850	21	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	126.1230	0.000	1	126.1000	0.001	2	125.6879	4.850	21	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(COO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	126.0770	0.000	1	126.1000	0.001	2	125.6879	4.850	21	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(COO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<2>,4|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	126.3160	0.030	2	126.3160	0.001	2	125.6879	4.850	21	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(COO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Si<4>,2|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	124.5590	0.000	1	124.5590	0.000	1	125.6879	4.850	21	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(COO){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	125.9845	4.253	2	125.9845	18.090	2	125.6879	4.850	21	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	124.5930	0.597	2	124.7070	0.165	4	125.6879	4.850	21	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(COO){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	124.8210	0.297	2	124.7070	0.165	4	125.6879	4.850	21	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(COO)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	124.0180	0.000	1	124.0180	0.000	1	124.0180	0.000	1	125.7627	5.217	52	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N-2:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CNN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(NC[6a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CNN){1|Pd<4>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|Pd<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(NC[6a])2	121.2920	0.000	1	121.2920	0.000	1	121.2920	0.000	1	121.2920	0.000	1	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)	124.2390	0.000	1	129.8330	9.360	7	127.3693	17.462	11	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)	128.7755	2.551	2	129.8330	9.360	7	127.3693	17.462	11	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]O){1|H<1>,1|N<3>,2|C<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)	131.7602	0.650	4	129.8330	9.360	7	127.3693	17.462	11	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(CC[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)	122.7613	0.530	3	122.7613	0.281	3	127.3693	17.462	11	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)	123.9470	0.000	1	123.9470	0.000	1	127.3693	17.462	11	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(CC[6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(CC[6a]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,5|C<3>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)	122.7050	0.000	1	122.7050	0.000	1	122.7050	0.000	1	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]C[5])(O)	127.4400	0.000	1	127.4400	0.000	1	125.8162	2.557	4	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)	123.6520	0.000	1	125.2750	2.078	3	125.8162	2.557	4	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)	126.0865	0.453	2	125.2750	2.078	3	125.8162	2.557	4	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CCH)(H)	127.0180	0.000	1	127.2340	0.093	2	127.2340	0.093	2	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CCH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]H)(CCH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(CCH)(H)	127.4500	0.000	1	127.2340	0.093	2	127.2340	0.093	2	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CBrC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C(N[5]C[5,6a]C[5])(CBrC)(O)	126.0010	0.000	1	126.0010	0.000	1	125.5303	2.267	9	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CCC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C(N[5]C[5,6a]C[5])(CCC)(O)	124.3845	0.489	2	124.3845	0.239	2	125.5303	2.267	9	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C(N[5]C[5,6a]C[5])(CCH)(O)	125.8177	1.135	3	125.8177	1.289	3	125.5303	2.267	9	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CCC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CCC)(O)	128.6240	0.000	1	128.6240	0.000	1	125.5303	2.267	9	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(COO)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CCO){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	C(N[5]C[5,6a]C[5])(COO)(O)	124.8960	0.000	1	124.8960	0.000	1	125.5303	2.267	9	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CNO)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CNO)(O)	124.0300	0.000	1	124.0300	0.000	1	125.5303	2.267	9	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[6a]O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	124.6530	0.000	1	124.6530	0.000	1	124.3494	1.700	10	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	124.1552	0.950	4	124.1552	0.902	4	124.3494	1.700	10	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]2C[5])(CC[6a]O){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	121.7860	0.000	1	121.7860	0.000	1	124.3494	1.700	10	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	125.5370	0.797	3	125.1085	1.158	4	124.3494	1.700	10	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CC[6a]O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	123.8230	0.000	1	125.1085	1.158	4	124.3494	1.700	10	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:Si[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]O[5]CC)(CC[5a]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C(N[5]C[5,6a]Si[5])(C[5a]N[5a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]O[5]CC)(CC[5a]O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]Si[5])(C[5a]N[5a]2)(O)	123.3240	0.000	1	123.3240	0.000	1	123.3240	0.000	1	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:Si[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2O[5])(CN[5a]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C)	C(N[5]C[5,6a]Si[5])(N[5a]C[5a]N[5a])(O)	N[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2O[5])(CN[5a]O){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C){2|H<1>,3|C<3>}	C(N[5]C[5,6a]Si[5])(N[5a]C[5a]N[5a])(O)	121.7860	0.000	1	121.7860	0.000	1	121.7860	0.000	1	125.6379	7.882	39	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CC[6a]O)(NC[6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CC[6a]O)(NC[6a])	126.5730	0.000	1	126.5730	0.000	1	126.5730	0.000	1	126.5730	0.000	1	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[4,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]H)(CCO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C(N[5]C[5,6a]C[4,5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]H)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C(N[5]C[5,6a]C[4,5])(CH3)(O)	127.3103	0.667	3	127.3103	0.444	3	126.8595	1.109	4	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[4,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]O)(CCO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C(N[5]C[5,6a]C[4,5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]O[4]O)(CCO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C(N[5]C[5,6a]C[4,5])(CH3)(O)	125.5070	0.000	1	125.5070	0.000	1	126.8595	1.109	4	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5,6]-4:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C(N[5]C[5,5,6]C[5,6a])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCO){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C(N[5]C[5,5,6]C[5,6a])(CH3)(O)	125.4300	0.000	1	125.4300	0.000	1	125.4300	0.000	1	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CCO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(CH3)(O)	133.4000	0.000	1	133.4000	0.000	1	127.6826	12.333	5	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCO){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(CH3)(O)	125.2000	0.000	1	125.2000	0.000	1	127.6826	12.333	5	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(CF3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CCO){1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|F<1>,1|N<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6a]C[5,5])(CF3)(O)	128.7510	0.000	1	128.7510	0.000	1	127.6826	12.333	5	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(CF3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(CF3)(O)	125.3320	0.000	1	125.3320	0.000	1	127.6826	12.333	5	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CCO){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(CH3)(O)	125.7300	0.000	1	125.7300	0.000	1	127.6826	12.333	5	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6a]C[5,6])(CH3)(O)	125.4990	0.211	2	125.4990	0.044	2	124.7250	1.580	5	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]I)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){1|I<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]I)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6a]C[5,6])(CH3)(O)	123.0300	0.000	1	123.0300	0.000	1	124.7250	1.580	5	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]P)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CCO){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]P)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6a]C[5,6])(CH3)(O)	123.7510	0.000	1	123.7510	0.000	1	124.7250	1.580	5	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C(N[5]C[5,6a]C[5,6])(CH3)(O)	125.8460	0.000	1	125.8460	0.000	1	124.7250	1.580	5	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CC3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CCO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C(N[5]C[5,6a]C[5])(CC3)(O)	123.3580	0.000	1	123.3580	0.000	1	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	125.5675	0.361	2	125.8163	0.251	3	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	126.3140	0.000	1	125.8163	0.251	3	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	129.9520	0.000	1	130.4245	0.447	2	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CCO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(O)	130.8970	0.000	1	130.4245	0.447	2	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CCCO)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C(N[5]C[5,6a]C[5])(CCCO)(O)	123.2405	0.093	2	123.2405	0.009	2	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	124.3910	0.000	1	125.5523	1.788	3	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,3|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	127.0140	0.000	1	125.5523	1.788	3	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,2|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	125.2520	0.000	1	125.5523	1.788	3	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CC3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CC3)(O)	122.1590	0.000	1	122.1590	0.000	1	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[6])(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CC[6]CH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[6])(N[5]C[5]C){3|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CC[6]CH)(O)	126.1770	0.000	1	126.1770	0.000	1	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CCCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CCCH)(O)	125.4770	0.000	1	125.4770	0.000	1	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CC[6a]HH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CC[6a]HH)(O)	124.9470	0.000	1	124.9470	0.000	1	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CF3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CF3)(O)	124.0950	0.000	1	124.0950	0.000	1	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	125.9410	0.000	1	125.9410	0.000	1	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	124.0050	0.000	1	124.0050	0.000	1	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	125.8213	0.279	3	126.9362	5.775	6	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|O<2>,3|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	126.2470	0.000	1	126.9362	5.775	6	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<2>,4|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	126.0910	0.000	1	126.9362	5.775	6	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(CCO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,2|O<2>,3|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	131.8150	0.000	1	126.9362	5.775	6	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	125.1010	0.000	1	125.4795	0.287	2	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CCO){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	125.8580	0.000	1	125.4795	0.287	2	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CCO){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	127.2590	0.000	1	127.2590	0.000	1	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]C)(CCO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CN[5]HH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]C)(CCO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CN[5]HH)(O)	122.4990	0.000	1	122.4990	0.000	1	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5]H)(CCO){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(O)	126.2490	0.000	1	126.2490	0.000	1	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CC3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CCO){1|Cu<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(CC3)(O)	122.5352	1.000	4	122.5352	0.999	4	125.3430	5.500	33	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[5]C[5]2Fe)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC[5]O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C(N[5]C[5,6a]C[5])(C[5]C[5]2Fe)(O)	125.6740	0.000	1	125.6740	0.000	1	125.6740	0.000	1	125.6510	5.603	49	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:2:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:N-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CH3)(NS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCN){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5])(CH3)(NS)	128.3160	0.000	1	128.3160	0.000	1	128.3160	0.000	1	128.3160	0.000	1	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:3:	C[5,6a]-3:Ga[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]O[5]CC)(CCC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Ga[5]C)	C(N[5]C[5,6a]Ga[5])(CH3)(CCN)	N[5](C[5,6a]C[5,6a]C[6a])(Ga[5]O[5]CC)(CCC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Ga[5]C){1|C<3>,4|C<4>}	C(N[5]C[5,6a]Ga[5])(CH3)(CCN)	127.3350	0.000	1	127.3350	0.000	1	127.3350	0.000	1	127.3350	0.000	1	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[3,5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:O-2:O-1:	N[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,6]C)(C[6a]C[6a]H)	C(N[5]C[3,5,6]C[5,6a])(OC)(O)	N[5](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C(N[5]C[3,5,6]C[5,6a])(OC)(O)	122.4110	0.000	1	122.4110	0.000	1	122.4110	0.000	1	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[3,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	C(N[5]C[5,6a]C[3,5])(OC)(O)	N[5](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	C(N[5]C[5,6a]C[3,5])(OC)(O)	128.5405	3.395	2	128.5405	11.525	2	128.1930	9.017	4	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[3,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	C(N[5]C[5,6a]C[3,5])(OC)(O)	N[5](C[3,5]C[3,5,6]C[3,6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	C(N[5]C[5,6a]C[3,5])(OC)(O)	127.8455	3.878	2	127.8455	15.043	2	128.1930	9.017	4	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[3x5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:O-2:O-1:	N[5](C[3x5,6]C[5,5,6]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H)	C(N[5]C[3x5,6]C[5,6a])(OC)(O)	N[5](C[3x5,6]C[5,5,6]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(COO){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C(N[5]C[3x5,6]C[5,6a])(OC)(O)	121.5230	0.000	1	121.5230	0.000	1	125.1810	26.762	2	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[3x5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:O-2:O-1:	N[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H)	C(N[5]C[3x5,6]C[5,6a])(OC)(O)	N[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[3x5,6]C[5,6a])(OC)(O)	128.8390	0.000	1	128.8390	0.000	1	125.1810	26.762	2	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[4,5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:O-2:O-1:	N[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(N[5]C[4,5,5]C)(C[6a]C[6a]H)	C(N[5]C[4,5,5]C[5,6a])(OC)(O)	N[5](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(N[5]C[4,5,5]C)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C(N[5]C[4,5,5]C[5,6a])(OC)(O)	129.5950	0.000	1	129.5950	0.000	1	129.5950	0.000	1	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[5,3x6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:O-2:O-1:	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]C)(C[6a]C[6a]H)	C(N[5]C[5,3x6]C[5,6a])(OC)(O)	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	C(N[5]C[5,3x6]C[5,6a])(OC)(O)	123.4270	0.000	1	123.4270	0.000	1	123.4270	0.000	1	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[5,4x6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,4x6]C[5,5,3x6]C[3x6]C[6,6])(C[5,6a]C[5,6a]2)(COO)	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(C[5,6a]C[5,6a]O[5])(N[5]C[5,4x6]C)	C(N[5]C[5,4x6]C[5,6a])(OC)(O)	N[5](C[5,4x6]C[5,5,3x6]C[3x6]C[6,6])(C[5,6a]C[5,6a]2)(COO){2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(C[5,6a]C[5,6a]O[5])(N[5]C[5,4x6]C){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C(N[5]C[5,4x6]C[5,6a])(OC)(O)	127.0390	0.000	1	127.0390	0.000	1	127.0390	0.000	1	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[5,5,3x6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:O-2:O-1:	N[5](C[5,5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[3x5,6,6]C[6a])(N[5]C[5,5,3x6]C)(C[6a]C[6a]H)	C(N[5]C[5,5,3x6]C[5,6a])(OC)(O)	N[5](C[5,5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(C[5,6a]C[5,6a]C[6a])(COO){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[3x5,6,6]C[6a])(N[5]C[5,5,3x6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	C(N[5]C[5,5,3x6]C[5,6a])(OC)(O)	127.8480	0.000	1	127.8480	0.000	1	127.8480	0.000	1	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[5,5,6,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:O-2:O-1:	N[5](C[5,5,6,6]C[5,5,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H)	C(N[5]C[5,5,6,6]C[5,6a])(OC)(O)	N[5](C[5,5,6,6]C[5,5,6]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(COO){2|C<3>,3|H<1>,5|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C(N[5]C[5,5,6,6]C[5,6a])(OC)(O)	123.1030	0.000	1	123.1030	0.000	1	123.1030	0.000	1	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:O-2:O-1:	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(COO){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	127.1450	0.000	1	127.1450	0.000	1	125.8324	9.253	7	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:O-2:O-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	122.8150	1.459	2	122.8150	2.130	2	125.8324	9.253	7	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:O-2:O-1:	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(COO){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	125.0670	3.495	2	125.0670	12.212	2	125.8324	9.253	7	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:O-2:O-1:	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){1|C<2>,3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	128.4480	0.000	1	128.9590	0.522	2	125.8324	9.253	7	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:O-2:O-1:	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(COO){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	129.4700	0.000	1	128.9590	0.522	2	125.8324	9.253	7	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	C(N[5]C[5,6a]C[5,6])(OC)(O)	128.2920	0.000	1	128.2920	0.000	1	127.0510	15.161	3	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5,6])(OC)(O)	122.6880	0.000	1	122.6880	0.000	1	127.0510	15.161	3	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6]N[5a,6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6]N[5a,6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(COO){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5,6])(OC)(O)	130.1730	0.000	1	130.1730	0.000	1	127.0510	15.161	3	126.2971	9.863	22	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:4:1:	C[4,5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C-4:O-1:	N[5](C[4,5,6]C[4,5,6]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5]C[4,5,6]C)(C[6a]C[6a]H)	C(N[5]C[4,5,6]C[5,6a])(CH3)(O)	N[5](C[4,5,6]C[4,5,6]O[4]O[6])(C[5,6a]C[5,6a]C[6a])(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5]C[4,5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C(N[5]C[4,5,6]C[5,6a])(CH3)(O)	125.4280	0.000	1	125.4280	0.000	1	125.4280	0.000	1	124.9258	5.738	10	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:4:1:	C[4,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[4,5]C[4,5,5]C[4]H)(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C(N[5]C[5,6a]C[4,5])(CH3)(O)	N[5](C[4,5]C[4,5,5]C[4]H)(C[5,6a]C[5,6a]C[6a])(CCO){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,3|C<4>,3|H<1>}	C(N[5]C[5,6a]C[4,5])(CH3)(O)	126.2650	0.000	1	126.2650	0.000	1	124.0000	10.260	2	124.9258	5.738	10	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:4:1:	C[4,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[4,5]C[4,5,5]C[6a]C[4])(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	C(N[5]C[5,6a]C[4,5])(CF3)(O)	N[5](C[4,5]C[4,5,5]C[6a]C[4])(C[5,6a]C[5,6a]C[6a])(CCO){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){2|C<3>,2|H<1>,3|C<4>}	C(N[5]C[5,6a]C[4,5])(CF3)(O)	121.7350	0.000	1	121.7350	0.000	1	124.0000	10.260	2	124.9258	5.738	10	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:4:1:	C[5,5,6,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C-4:O-1:	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H)	C(N[5]C[5,5,6,6]C[5,6a])(CH3)(O)	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(CCO){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C(N[5]C[5,5,6,6]C[5,6a])(CH3)(O)	127.5140	0.000	1	127.5140	0.000	1	127.5140	0.000	1	124.9258	5.738	10	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:4:1:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(CH3)(O)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(CH3)(O)	129.7690	0.000	1	124.8552	7.978	5	124.8552	7.978	5	124.9258	5.738	10	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:4:1:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(CH3)(O)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO){1|Br<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(CH3)(O)	123.6268	0.759	4	124.8552	7.978	5	124.8552	7.978	5	124.9258	5.738	10	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP2_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:4:1:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(CH3)(O)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CCO){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5,6])(CH3)(O)	124.0400	0.000	1	124.0400	0.000	1	124.0400	0.000	1	124.9258	5.738	10	125.3823	8.332	434	125.3823	8.332	434
542	727	930	0:SP3_SP2_SP2	N[5]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	120.4620	0.690	2	120.4620	0.476	2	120.4620	0.476	2	120.4620	0.476	2	123.4496	8.916	20	123.4496	8.916	20
542	727	930	0:SP3_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(COO){1|Br<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|O<2>,3|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(OC)(O)	119.4150	0.000	1	119.4150	0.000	1	119.4150	0.000	1	124.4533	11.362	9	123.4496	8.916	20	123.4496	8.916	20
542	727	930	0:SP3_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	C(N[5]C[5,6a]C[5,6])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(COO){3|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	C(N[5]C[5,6a]C[5,6])(OC)(O)	124.2895	4.644	2	124.2895	21.563	2	124.2895	21.563	2	124.4533	11.362	9	123.4496	8.916	20	123.4496	8.916	20
542	727	930	0:SP3_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(COO)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]2)(C[5]C[5]HH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(N[5]C[5]C){1|C<3>,3|C<4>,6|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	125.1210	0.000	1	125.1210	0.000	1	125.1210	0.000	1	124.4533	11.362	9	123.4496	8.916	20	123.4496	8.916	20
542	727	930	0:SP3_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HN)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	123.0330	0.000	1	123.0330	0.000	1	125.3930	9.758	5	124.4533	11.362	9	123.4496	8.916	20	123.4496	8.916	20
542	727	930	0:SP3_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	126.4900	0.000	1	126.4900	0.000	1	125.3930	9.758	5	124.4533	11.362	9	123.4496	8.916	20	123.4496	8.916	20
542	727	930	0:SP3_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]NN)(COO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]NN)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	C(N[5]C[5,6a]C[5])(OC)(O)	121.2150	0.000	1	121.2150	0.000	1	125.3930	9.758	5	124.4533	11.362	9	123.4496	8.916	20	123.4496	8.916	20
542	727	930	0:SP3_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	128.0800	0.000	1	128.1135	0.002	2	125.3930	9.758	5	124.4533	11.362	9	123.4496	8.916	20	123.4496	8.916	20
542	727	930	0:SP3_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(OC)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(COO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5])(OC)(O)	128.1470	0.000	1	128.1135	0.002	2	125.3930	9.758	5	124.4533	11.362	9	123.4496	8.916	20	123.4496	8.916	20
542	727	930	0:SP3_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CCH)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C(N[5]C[5,6a]C[5])(CCH)(O)	125.2660	1.061	4	125.2660	1.126	4	125.2660	1.126	4	123.3587	7.830	7	123.4496	8.916	20	123.4496	8.916	20
542	727	930	0:SP3_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	121.1390	0.000	1	121.1390	0.000	1	121.1390	0.000	1	123.3587	7.830	7	123.4496	8.916	20	123.4496	8.916	20
542	727	930	0:SP3_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C-3:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(CC[6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(CC[6a]O){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]C){4|C<3>,5|H<1>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	120.6540	3.082	2	120.6540	9.496	2	120.6540	9.496	2	123.3587	7.830	7	123.4496	8.916	20	123.4496	8.916	20
542	727	930	0:SP3_SP2_SP2	N[5]	C[5,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C(N[5]C[5,6a]C[5])(CC3)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCO){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){2|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5])(CC3)(O)	121.4850	0.000	1	121.4850	0.000	1	121.4850	0.000	1	121.4850	0.000	1	123.4496	8.916	20	123.4496	8.916	20
542	727	930	0:SP3_SP2_SP2	N[5]	C[5,6a]	C	4:3:3:	3:3:3:	3:2:1:	C[5,5,6]-4:C[5,6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:O-2:O-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(COO){3|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C(N[5]C[5,5,6]C[5,6a])(OC)(O)	122.9920	0.000	1	122.9920	0.000	1	122.9920	0.000	1	122.9920	0.000	1	123.4496	8.916	20	123.4496	8.916	20
542	727	931	5:SP2_SP2_SPD5	N[5,5]	C[5,6a]	Si[5,5]	3:3:5:	3:3:3:	3:2:2:4:4:	C[5,6a]-3:C[5,6a]-3:Si[5,5]-5:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:O[5]-2:O[5]-2:C-4:C-4:	N[5,5](C[5,6a]C[5,6a]C[6a])2(Si[5,5]O[5]2CC)	C[5,6a](N[5,5]C[5,6a]Si[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	Si[5,5](N[5,5]C[5,6a]2)(O[5]C[5,6a])2(CH3)2	N[5,5](C[5,6a]C[5,6a]C[6a])2(Si[5,5]O[5]2CC){2|H<1>,4|C<3>}	C[5,6a](N[5,5]C[5,6a]Si[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|C<4>}	Si[5,5](N[5,5]C[5,6a]2)(O[5]C[5,6a])2(CH3)2{4|C<3>}	114.6650	0.014	2	114.6650	0.000	2	114.6650	0.000	2	114.6650	0.000	2	118.3977	16.663	12	116.4717	23.026	19
542	727	931	5:SP2_SP2_SPD5	N[5,5]	C[5,6a]	Si[5,5]	5:3:3:	3:3:3:	3:3:3:2:4:	Si[5,5]-5:C[5,6a]-3:C[5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5a]-3:N[5,5]-3:C[6a]-3:O[5]-2:C-4:	N[5,5](Si[5,5]N[5,5a]C[6a]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	N[5,5](Si[5,5]N[5,5a]C[6a]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H){1|H<1>,6|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){4|H<1>,6|C<3>}	113.4880	0.618	2	113.4880	0.382	2	113.4880	0.382	2	113.4880	0.382	2	118.3977	16.663	12	116.4717	23.026	19
542	727	931	5:SP2_SP2_SPD5	N[5,5]	C[5,6a]	Si[5,5]	5:3:3:	3:3:3:	3:3:3:3:2:	Si[5,5]-5:C[5,6a]-3:C[5]-3:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:N[5,5]-3:C[6a]-3:C[6a]-3:O[5]-2:	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]O)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a])	N[5,5](Si[5,5]N[5,5]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5,5]O){1|H<1>,8|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a]){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	112.9940	0.000	1	112.9940	0.000	1	112.9940	0.000	1	112.9940	0.000	1	118.3977	16.663	12	116.4717	23.026	19
542	727	931	5:SP2_SP2_SPD5	N[5,5]	C[5,6a]	Si[5,5]	5:3:4:	3:3:3:	3:3:2:2:4:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:N[5,6]-3:S[5]-2:O-2:C-4:	N[5,5](Si[5,5]N[5,6]S[5]CO)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(S[5]C[5,6a])(OC[6a])(CH3)	N[5,5](Si[5,5]N[5,6]S[5]CO)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,4|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(S[5]C[5,6a])(OC[6a])(CH3){3|H<1>,4|C<3>}	122.5070	0.000	1	122.5070	0.000	1	122.5070	0.000	1	122.5070	0.000	1	118.3977	16.663	12	116.4717	23.026	19
542	727	931	5:SP2_SP2_SPD5	N[5,5]	C[5,6a]	Si[5,5]	5:3:4:	3:3:3:	3:3:3:2:1:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:Br-1:	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Br)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Br)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Br)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>,4|H<1>}	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Br){5|H<1>,6|C<3>}	121.7620	0.000	1	121.7620	0.000	1	121.7620	0.000	1	121.8777	0.016	3	118.3977	16.663	12	116.4717	23.026	19
542	727	931	5:SP2_SP2_SPD5	N[5,5]	C[5,6a]	Si[5,5]	5:3:4:	3:3:3:	3:3:3:2:1:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:Cl-1:	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,3|C<3>,4|H<1>}	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl){2|F<1>,3|H<1>,6|C<3>}	121.8560	0.000	1	121.9355	0.013	2	121.9355	0.013	2	121.8777	0.016	3	118.3977	16.663	12	116.4717	23.026	19
542	727	931	5:SP2_SP2_SPD5	N[5,5]	C[5,6a]	Si[5,5]	5:3:4:	3:3:3:	3:3:3:2:1:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:Cl-1:	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]Cl)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,3|C<3>,4|H<1>}	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(Cl){5|H<1>,6|C<3>}	122.0150	0.000	1	121.9355	0.013	2	121.9355	0.013	2	121.8777	0.016	3	118.3977	16.663	12	116.4717	23.026	19
542	727	931	5:SP2_SP2_SPD5	N[5,5]	C[5,6a]	Si[5,5]	5:3:4:	3:3:3:	3:3:3:2:2:	Si[5,5]-5:C[5,6a]-3:C[5]-4:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	N[5,5]-3:N[5,6]-3:C[6a]-3:S[5]-2:N-2:	N[5,5](Si[5,5]N[5,6]C[6a]S[5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(NC)	N[5,5](Si[5,5]N[5,6]C[6a]S[5]N)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH){1|H<1>,6|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(NC){5|H<1>,6|C<3>}	121.1110	1.072	3	121.1110	1.149	3	121.1110	1.149	3	121.1110	1.149	3	118.3977	16.663	12	116.4717	23.026	19
542	727	931	5:SP2_SP2_SPD5	N[5,6]	C[5,6a]	Si[5,6,6]	5:3:3:	3:3:3:	3:3:3:2:2:	Si[5,6,6]-5:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:C[6a]-3:O[6]-2:O[6]-2:	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){1|C<4>,1|H<1>,9|C<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2{10|C<3>,3|H<1>}	112.5740	0.505	2	112.5740	0.255	2	112.5740	0.255	2	112.5740	0.255	2	115.8208	14.333	4	116.4717	23.026	19
542	727	931	5:SP2_SP2_SPD5	N[5,6]	C[5,6a]	Si[5,6,6]	5:3:4:	3:3:3:	3:3:3:2:2:	Si[5,6,6]-5:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:C[6a]-3:O[6]-2:O[6]-2:	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H){10|C<3>,1|H<1>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2{10|C<3>,3|H<1>}	119.0675	0.762	2	119.0675	0.580	2	119.0675	0.580	2	119.0675	0.580	2	115.8208	14.333	4	116.4717	23.026	19
542	727	931	5:SP2_SP2_SPD5	N[5,6]	C[5,6a]	Si[5,6]	5:3:3:	3:3:3:	3:3:3:2:2:	Si[5,6]-5:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:	N[5,6](Si[5,6]C[6a]N[5a]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O)	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])	N[5,6](Si[5,6]C[6a]N[5a]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O){1|H<1>,8|C<3>}	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6]){1|N<3>,2|H<1>,2|O<1>,2|O<2>,6|C<3>}	110.1700	0.239	2	110.1700	0.057	2	110.1700	0.057	2	110.1700	0.057	2	109.6357	0.885	3	116.4717	23.026	19
542	727	931	5:SP2_SP2_SPD5	N[5,6]	C[5,6a]	Si[5,6]	5:3:3:	3:3:3:	3:4:2:2:4:	Si[5,6]-5:C[5,6a]-3:C[6]-3:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:Si[5]-4:O[5]-2:O[6]-2:C-4:	N[5,6](Si[5,6]Si[5]O[5]O[6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3)	N[5,6](Si[5,6]Si[5]O[5]O[6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){1|C<4>,1|H<1>,2|N<3>,6|C<3>}	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3){2|C<4>,7|C<3>}	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	109.6357	0.885	3	116.4717	23.026	19
542	727	941	0:SP2_SP2_SP2	N[5]	C[5,5a]	N	3:3:2:	3:2:3:	3:3:	C[5,5a]-3:C[5]-3:N-2:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5]-3:N-3:	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NN)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N)	N(N[5]C[5,5a]C[5])(NOO)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NN){1|C<3>,1|N<3>}	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N){1|H<1>,2|N<2>}	N(N[5]C[5,5a]C[5])(NOO)	127.7440	0.000	1	127.7440	0.000	1	127.7440	0.000	1	127.7440	0.000	1	124.7180	18.313	2	121.8472	23.320	10
542	727	941	0:SP2_SP2_SP2	N[5]	C[5,5a]	N	3:4:2:	3:2:3:	3:1:	C[5,5a]-3:C[5]-4:N-2:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5]-3:O-1:	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(NO)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]N)	N(N[5]C[5,5a]C[5])(O)	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(NO){2|H<1>,2|N<2>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]N){4|H<1>}	N(N[5]C[5,5a]C[5])(O)	121.6920	0.000	1	121.6920	0.000	1	121.6920	0.000	1	121.6920	0.000	1	124.7180	18.313	2	121.8472	23.320	10
542	727	941	0:SP2_SP2_SP2	N[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N)	N(N[5]C[5,6a]C[5])(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N(N[5]C[5,6a]C[5])(CC[6a]H)	116.8630	0.000	1	116.8630	0.000	1	117.3945	0.565	2	117.3945	0.565	2	121.1295	24.423	8	121.8472	23.320	10
542	727	941	0:SP2_SP2_SP2	N[5]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N)	N(N[5]C[5,6a]C[5])(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(NC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	N(N[5]C[5,6a]C[5])(CC[6a]H)	117.9260	0.000	1	117.9260	0.000	1	117.3945	0.565	2	117.3945	0.565	2	121.1295	24.423	8	121.8472	23.320	10
542	727	941	0:SP2_SP2_SP2	N[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:1:	C[5,6a]-3:C[5,5]-4:N-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(NO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]N)	N(N[5]C[5,6a]C[5,5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(NO){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]N){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	N(N[5]C[5,6a]C[5,5])(O)	119.8345	2.799	2	119.8345	7.837	2	119.8345	7.837	2	119.8345	7.837	2	121.1295	24.423	8	121.8472	23.320	10
542	727	941	0:SP2_SP2_SP2	N[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,5]-4:N-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]N)	N(N[5]C[5,6a]C[5,5])(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(NC){1|H<1>,1|N<3>,1|S<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]N){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N(N[5]C[5,6a]C[5,5])(CC[6a]H)	132.5340	0.000	1	132.5340	0.000	1	132.5340	0.000	1	123.6445	35.335	4	121.1295	24.423	8	121.8472	23.320	10
542	727	941	0:SP2_SP2_SP2	N[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N(N[5]C[5,6a]C[5])(CCH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,6|H<1>}	N(N[5]C[5,6a]C[5])(CCH)	120.9840	0.303	2	120.9840	0.092	2	120.6813	0.321	3	123.6445	35.335	4	121.1295	24.423	8	121.8472	23.320	10
542	727	941	0:SP2_SP2_SP2	N[5]	C[5,6a]	N	3:4:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-4:N-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	N(N[5]C[5,6a]C[5])(CC[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,6|H<1>}	N(N[5]C[5,6a]C[5])(CC[6a]H)	120.0760	0.000	1	120.0760	0.000	1	120.6813	0.321	3	123.6445	35.335	4	121.1295	24.423	8	121.8472	23.320	10
542	727	943	0:SP2_SP-NON_SP2	N[5,6]	C[5,6a]	Ga[6]	3:3:4:	3:3:3:	3:2:4:4:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:O[6]-2:C-4:C-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(Ga[6]O[6]CC)	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	Ga[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(CH3)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(Ga[6]O[6]CC){1|H<1>,4|C<3>}	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	Ga[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(CH3)2{1|O<2>,4|C<3>}	130.6380	0.000	1	130.6380	0.000	1	130.6380	0.000	1	130.6380	0.000	1	127.9686	3.737	11	127.9686	3.737	11
542	727	943	0:SP2_SP-NON_SP2	N[5,6]	C[5,6a]	Ga[6]	3:3:4:	3:3:3:	3:3:4:4:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC)	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	Ga[6](N[5,6]C[5,6a]C[5,6])2(CH3)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	Ga[6](N[5,6]C[5,6a]C[5,6])2(CH3)2{2|O<2>,5|C<3>}	130.8010	0.228	2	130.8010	0.052	2	128.2195	4.621	6	127.7017	3.281	10	127.9686	3.737	11	127.9686	3.737	11
542	727	943	0:SP2_SP-NON_SP2	N[5,6]	C[5,6a]	Ga[6]	3:3:4:	3:3:3:	3:3:4:4:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC)	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	Ga[6](N[5,6]C[5,6a]C[5,6])2(CH3)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC){2|H<1>,4|C<3>}	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	Ga[6](N[5,6]C[5,6a]C[5,6])2(CH3)2{2|O<2>,5|C<3>}	126.9287	1.010	4	126.9287	1.021	4	128.2195	4.621	6	127.7017	3.281	10	127.9686	3.737	11	127.9686	3.737	11
542	727	943	0:SP2_SP-NON_SP2	N[5,6]	C[5,6a]	Ga[6]	3:3:4:	3:3:3:	3:3:4:4:	C[5,6a]-3:N[5,6]-3:Ga[6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC)	C[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	Ga[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CH3)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ga<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	Ga[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CH3)2{1|Ga<4>,1|H<1>,5|C<3>}	126.3910	1.093	2	126.3910	1.195	2	126.9250	0.800	4	127.7017	3.281	10	127.9686	3.737	11	127.9686	3.737	11
542	727	943	0:SP2_SP-NON_SP2	N[5,6]	C[5,6a]	Ga[6]	3:3:4:	3:3:3:	3:3:4:4:	C[5,6a]-3:N[5,6]-3:Ga[6]-4:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC)	C[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	Ga[6](N[5,6]C[5,6a]N[5,6])2(CH3)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ga<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	Ga[6](N[5,6]C[5,6a]N[5,6])2(CH3)2{1|Ga<4>,6|C<3>}	127.4590	0.253	2	127.4590	0.064	2	126.9250	0.800	4	127.7017	3.281	10	127.9686	3.737	11	127.9686	3.737	11
542	727	945	0:SP2_SP2_SP3	N[5]	C[5,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:P-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PN[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]P)	P(N[5]C[5,6a]C[5])3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PN[5]2){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,2|C<4>,2|H<1>}	P(N[5]C[5,6a]C[5])3	116.8840	0.125	3	116.8840	0.016	3	116.8840	0.016	3	116.8840	0.016	3	120.5433	16.493	6	120.5433	16.493	6
542	727	945	0:SP2_SP2_SP3	N[5]	C[5,6a]	P	3:4:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-4:P-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:O-2:O-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(POO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]P)	P(N[5]C[5,6a]C[5])(OC[6a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(POO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,6|H<1>}	P(N[5]C[5,6a]C[5])(OC[6a])2	123.6200	0.225	2	123.6200	0.051	2	123.6200	0.051	2	123.6200	0.051	2	120.5433	16.493	6	120.5433	16.493	6
542	727	945	0:SP2_SP2_SP3	N[5]	C[5,6a]	P	3:5:3:	3:3:3:	3:3:3:	C[5,6a]-3:P[5]-5:P-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2O[5]H)(PC[6a]2)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]P[5]P)	P(N[5]C[5,6a]P[5])(C[6a]C[6a]2)2	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]2O[5]H)(PC[6a]2){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]P[5]P){3|C<3>,3|H<1>}	P(N[5]C[5,6a]P[5])(C[6a]C[6a]2)2	125.3680	0.000	1	125.3680	0.000	1	125.3680	0.000	1	125.3680	0.000	1	120.5433	16.493	6	120.5433	16.493	6
542	727	946	5:SP2_SP1_SP2	N[5,6]	C[5,6,6a]	Ge[5]	3:2:3:	3:3:3:	3:3:	C[5,6,6a]-3:Ge[5]-2:C[6]-3:	C[5,6a,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ge[5]N[5,6a])(C[6]C[6]H)	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ge[5]C[6])	Ge[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Ge[5]N[5,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6,6a]C[6a]C[6])(N[5,6]Ge[5]C[6]){3|H<1>,4|C<3>}	Ge[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6]){2|H<1>,4|C<3>}	114.4230	0.000	1	114.4230	0.000	1	114.4230	0.000	1	114.4230	0.000	1	114.4230	0.000	1	114.5755	0.624	34
542	727	946	5:SP2_SP1_SP2	N[5]	C[5,6a]	Ge[5]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:Ge[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]H)	Ge[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]H){1|C<3>,1|C<4>,2|H<1>}	Ge[5](N[5]C[5,6a]C)(N[5]C[5,6a]H){2|C<3>}	115.8323	0.376	8	115.8323	0.142	8	115.8323	0.142	8	115.8323	0.142	8	114.5802	0.643	33	114.5755	0.624	34
542	727	946	5:SP2_SP1_SP2	N[5]	C[5,6a]	Ge[5]	3:2:4:	3:3:3:	3:3:	C[5,6a]-3:Ge[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	Ge[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,3|H<1>}	Ge[5](N[5]C[5,6a]C)(N[5]C[5,6a]H){2|C<3>}	113.9311	0.195	7	113.9311	0.038	7	114.1150	0.081	17	114.1150	0.081	17	114.5802	0.643	33	114.5755	0.624	34
542	727	946	5:SP2_SP1_SP2	N[5]	C[5,6a]	Ge[5]	3:2:4:	3:3:3:	3:3:	C[5,6a]-3:Ge[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C)	Ge[5](N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Ge[5](N[5]C[5,6a]C)2{2|C<3>}	114.3850	0.117	4	114.3850	0.014	4	114.1150	0.081	17	114.1150	0.081	17	114.5802	0.643	33	114.5755	0.624	34
542	727	946	5:SP2_SP1_SP2	N[5]	C[5,6a]	Ge[5]	3:2:4:	3:3:3:	3:3:	C[5,6a]-3:Ge[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	Ge[5](N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,2|H<1>}	Ge[5](N[5]C[5,6a]C)2{2|C<3>}	114.1295	0.395	4	114.1295	0.156	4	114.1150	0.081	17	114.1150	0.081	17	114.5802	0.643	33	114.5755	0.624	34
542	727	946	5:SP2_SP1_SP2	N[5]	C[5,6a]	Ge[5]	3:2:4:	3:3:3:	3:3:	C[5,6a]-3:Ge[5]-2:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	Ge[5](N[5]C[5,6a]C)2	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,2|H<1>}	Ge[5](N[5]C[5,6a]C)2{2|C<3>}	114.1895	0.105	2	114.1895	0.011	2	114.1150	0.081	17	114.1150	0.081	17	114.5802	0.643	33	114.5755	0.624	34
542	727	946	5:SP2_SP1_SP2	N[5]	C[5,6a]	Ge[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Ge[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]Ge[5])	Ge[5](N[5]C[5,6a]C[6a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]Ge[5]){1|H<1>,5|C<3>}	Ge[5](N[5]C[5,6a]C[6a])2{6|C<3>}	114.1433	0.398	6	114.1433	0.158	6	114.1433	0.158	6	114.3165	0.217	8	114.5802	0.643	33	114.5755	0.624	34
542	727	946	5:SP2_SP1_SP2	N[5]	C[5,6a]	Ge[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Ge[5]-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]H)	Ge[5](N[5]C[5,6a]C[6a])2	N[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(Ge[5]N[5]){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	Ge[5](N[5]C[5,6a]C[6a])2{6|C<3>}	114.8360	0.091	2	114.8360	0.008	2	114.8360	0.008	2	114.3165	0.217	8	114.5802	0.643	33	114.5755	0.624	34
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,5a]	H	3:3:1:	3:2:3:	3:	C[5,5a]-3:C[5]-3:H-1:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5]-3:	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(H)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]H)	H(N[5]C[5,5a]C[5])	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(H){1|C<3>,1|N<3>}	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]H){1|H<1>,2|N<3>}	H(N[5]C[5,5a]C[5])	121.6810	0.000	1	121.6810	0.000	1	121.6810	0.000	1	121.6810	0.000	1	126.3076	20.759	9	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H)	H(N[5]C[5,5a]C[5])	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>}	H(N[5]C[5,5a]C[5])	125.2300	0.000	1	125.1645	0.009	2	127.5610	15.163	6	127.9260	13.568	7	126.3076	20.759	9	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H)	H(N[5]C[5,5a]C[5])	N[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(N[5]C[5]H){1|O<1>,2|C<3>}	H(N[5]C[5,5a]C[5])	125.0990	0.000	1	125.1645	0.009	2	127.5610	15.163	6	127.9260	13.568	7	126.3076	20.759	9	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]H)(H)	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]N[5a]C)(N[5]C[5]H)	H(N[5]C[5,5a]C[5])	N[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(C[5a]N[5a]C)(N[5]C[5]H){1|Ni<4>,1|C<3>,2|H<1>}	H(N[5]C[5,5a]C[5])	128.7593	4.419	4	128.7593	19.525	4	127.5610	15.163	6	127.9260	13.568	7	126.3076	20.759	9	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,5a]	H	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:H-1:	N[5,5a]-3:N[5a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]C)(H)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a]H)(N[5]C[5]H)	H(N[5]C[5,5a]C[5])	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a]H)(N[5]C[5]H){1|C<3>,1|C<4>}	H(N[5]C[5,5a]C[5])	130.1160	0.000	1	130.1160	0.000	1	130.1160	0.000	1	127.9260	13.568	7	126.3076	20.759	9	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,5a]	H	3:4:1:	3:2:3:	3:	C[5,5a]-3:C[5]-4:H-1:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5]-3:	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(H)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]H)	H(N[5]C[5,5a]C[5])	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(H){2|H<1>,2|N<2>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]H){4|H<1>}	H(N[5]C[5,5a]C[5])	119.6050	0.000	1	119.6050	0.000	1	119.6050	0.000	1	119.6050	0.000	1	126.3076	20.759	9	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:C[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5])(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.2720	0.095	2	125.2720	0.009	2	125.2720	0.009	2	125.6968	11.889	66	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:Ge[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]H)	H(N[5]C[5,6a]Ge[5])	N[5](C[5,6a]C[5,6a]C[6a])(Ge[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]H){1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]Ge[5])	122.1219	0.180	7	122.1219	0.032	7	122.1219	0.032	7	125.6968	11.889	66	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]N[5])	123.5950	0.000	1	126.4118	12.768	49	126.4118	12.768	49	125.6968	11.889	66	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<4>,1|C<3>,2|H<1>}	H(N[5]C[5,6a]N[5])	123.9617	0.310	4	126.4118	12.768	49	126.4118	12.768	49	125.6968	11.889	66	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<6>,1|C<3>,2|H<1>}	H(N[5]C[5,6a]N[5])	124.1770	0.000	1	126.4118	12.768	49	126.4118	12.768	49	125.6968	11.889	66	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,1|O<2>,2|H<1>}	H(N[5]C[5,6a]N[5])	130.4240	0.000	1	126.4118	12.768	49	126.4118	12.768	49	125.6968	11.889	66	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Ni<6>,1|C<3>,2|H<1>}	H(N[5]C[5,6a]N[5])	124.3650	0.061	3	126.4118	12.768	49	126.4118	12.768	49	125.6968	11.889	66	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Zn<4>,1|C<3>,2|H<1>}	H(N[5]C[5,6a]N[5])	123.9655	0.225	4	126.4118	12.768	49	126.4118	12.768	49	125.6968	11.889	66	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,3|H<1>}	H(N[5]C[5,6a]N[5])	127.1765	3.844	35	126.4118	12.768	49	126.4118	12.768	49	125.6968	11.889	66	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:P[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	H(N[5]C[5,6a]P[5])	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5])(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|C<3>,3|H<1>}	H(N[5]C[5,6a]P[5])	122.4898	0.094	4	122.4898	0.009	4	122.4898	0.009	4	125.6968	11.889	66	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]H)	H(N[5]C[5,6a]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]S[5]H){2|H<1>,4|C<3>}	H(N[5]C[5,6a]S[5])	126.3980	0.000	1	126.3980	0.000	1	126.6142	0.100	4	125.6968	11.889	66	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H)	H(N[5]C[5,6a]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){1|C<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H){1|C<3>,3|H<1>}	H(N[5]C[5,6a]S[5])	126.9500	0.000	1	126.6230	0.214	2	126.6142	0.100	4	125.6968	11.889	66	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H)	H(N[5]C[5,6a]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H){2|C<3>,2|H<1>}	H(N[5]C[5,6a]S[5])	126.2960	0.000	1	126.6230	0.214	2	126.6142	0.100	4	125.6968	11.889	66	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]H)	H(N[5]C[5,6a]S[5])	N[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5])(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]H){1|C<2>,1|C<3>,2|H<1>}	H(N[5]C[5,6a]S[5])	126.8130	0.000	1	126.8130	0.000	1	126.6142	0.100	4	125.6968	11.889	66	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]2)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	121.9620	0.000	1	121.9620	0.000	1	125.8016	3.244	33	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]O)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	H(N[5]C[5,6a]C[5])	124.6820	0.000	1	124.6820	0.000	1	125.8016	3.244	33	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Ag<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Ag<4>,1|N<2>,1|S<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.9400	0.000	1	125.9615	2.901	31	125.8016	3.244	33	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|N<3>}	H(N[5]C[5,6a]C[5])	125.5212	0.096	5	125.9615	2.901	31	125.8016	3.244	33	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Co<6>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Co<6>,1|H<1>,1|N<2>,2|N<3>}	H(N[5]C[5,6a]C[5])	128.6750	0.000	1	125.9615	2.901	31	125.8016	3.244	33	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Cu<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Cu<4>,1|N<2>,1|S<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.8780	0.000	1	125.9615	2.901	31	125.8016	3.244	33	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Cu<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Cu<4>,1|N<2>,1|S<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.8480	0.000	1	125.9615	2.901	31	125.8016	3.244	33	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<2>,1|N<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.4430	1.285	4	125.9615	2.901	31	125.8016	3.244	33	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<3>,1|O<1>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.4112	3.051	5	125.9615	2.901	31	125.8016	3.244	33	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|N<3>,1|S<1>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.9310	0.000	1	125.9615	2.901	31	125.8016	3.244	33	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|O<1>,2|H<1>,2|N<3>}	H(N[5]C[5,6a]C[5])	125.5830	2.089	7	125.9615	2.901	31	125.8016	3.244	33	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){2|N<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.5550	0.040	2	125.9615	2.901	31	125.8016	3.244	33	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Ru<9>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Ru<9>,1|H<1>,1|S<2>,2|N<2>}	H(N[5]C[5,6a]C[5])	125.8760	0.000	1	125.9615	2.901	31	125.8016	3.244	33	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|Zn<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|Zn<4>,1|N<2>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.5175	1.822	2	125.9615	2.901	31	125.8016	3.244	33	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5])(H){5|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	126.9430	0.000	1	126.9430	0.000	1	126.6917	0.033	8	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]N[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]N[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>}	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<3>,1|H<1>,2|C<4>}	H(N[5]C[5,6a]C[5])	126.6916	0.085	5	126.6559	0.027	7	126.6917	0.033	8	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]N[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]N[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>}	C[5,6a](N[5,6a]C[6a]N[5])(N[6a]C[6a])(N[5]C[5]H){1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.5665	0.332	2	126.6559	0.027	7	126.6917	0.033	8	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]Os)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]Os)(H){3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H){1|Os<9>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]N[5])	125.0530	0.000	1	125.0530	0.000	1	125.3585	0.187	2	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]Ru)(H){3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]N[5]H){1|Ru<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]N[5])	125.6640	0.000	1	125.6640	0.000	1	125.3585	0.187	2	125.9466	2.621	43	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Br<1>,3|C<3>}	H(N[5]C[5,6a]C[5,6])	127.2110	0.000	1	127.2110	0.000	1	126.8418	2.695	5	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5,6])	126.7495	1.881	4	126.7495	3.537	4	126.8418	2.695	5	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]B[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|B<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5,5])	124.7000	0.000	1	124.7000	0.000	1	125.3560	0.861	2	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5,5])	126.0120	0.000	1	126.0120	0.000	1	125.3560	0.861	2	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(N[5]C[5,6a]C[5,6])	122.9930	3.231	3	122.9930	10.441	3	124.3630	4.359	21	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5,6])	123.7344	1.845	11	123.7344	3.405	11	124.3630	4.359	21	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(N[5]C[5,6a]C[5,6])	125.0605	0.408	2	125.5725	0.734	4	124.3630	4.359	21	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5,6])	126.0845	0.993	2	125.5725	0.734	4	124.3630	4.359	21	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(H){1|B<4>,1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|B<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5,6])	125.9990	0.000	1	125.9990	0.000	1	124.3630	4.359	21	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	H(N[5]C[5,6a]C[5,6])	125.8660	0.000	1	126.6390	1.195	2	124.3630	4.359	21	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(N[5]C[5,6a]C[5,6])	127.4120	0.000	1	126.6390	1.195	2	124.3630	4.359	21	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:	N[5](C[5,6a]C[6a,6a]N[5,6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]H)	H(N[5]C[5,6a]2)	N[5](C[5,6a]C[6a,6a]N[5,6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(N[5]C[5,6a]2)	124.9720	0.000	1	124.9720	0.000	1	124.9720	0.000	1	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[6a,6a]-3:N[5,6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[6a,6a]N[5,6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)	H(N[5]C[5,6a]2)	N[5](C[5,6a]C[6a,6a]N[5,6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H){1|H<1>,1|O<1>,5|C<3>}	H(N[5]C[5,6a]2)	124.9190	0.000	1	124.9190	0.000	1	124.9190	0.000	1	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|O<1>,4|C<3>}	H(N[5]C[5,6a]C[5])	124.9200	0.000	1	124.9200	0.000	1	123.2900	20.064	3	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	122.4750	6.012	2	122.4750	36.142	2	123.2900	20.064	3	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	H(N[5]C[5,6a]C[5])	126.6490	0.229	2	126.6490	0.052	2	127.6927	3.294	3	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	H(N[5]C[5,6a]C[5])	129.7800	0.000	1	129.7800	0.000	1	127.6927	3.294	3	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]N)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.2720	0.000	1	122.2720	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.8095	2.316	2	125.1316	4.991	9	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.9379	2.359	7	125.1316	4.991	9	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]C)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.4320	0.000	1	125.4320	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.4605	0.883	6	124.8805	2.889	8	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.1405	3.477	2	124.8805	2.889	8	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5])(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>,2|O<2>}	H(N[5]C[5,6a]C[5])	126.4960	0.000	1	126.4960	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.1700	0.000	1	124.1700	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(N[5]C[5,6a]C[5])	124.1510	0.000	1	124.1510	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.2265	0.030	2	124.2556	0.475	7	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	123.9730	0.000	1	124.2556	0.475	7	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	123.5750	0.352	2	124.2556	0.475	7	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.1065	0.520	2	124.2556	0.475	7	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.3450	0.000	2	124.2695	0.043	6	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.3280	0.000	1	124.2695	0.043	6	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.3580	0.182	2	124.2695	0.043	6	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	123.8830	0.000	1	124.2695	0.043	6	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(N[5]C[5,6a]C[5])	124.0440	0.000	1	124.3259	1.495	261	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.3842	1.382	163	124.3259	1.495	261	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<4>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	123.8950	0.153	2	124.3259	1.495	261	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.8928	1.005	6	124.3259	1.495	261	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	123.7997	0.370	6	124.3259	1.495	261	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.1850	0.000	1	124.3259	1.495	261	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.4617	1.484	3	124.3259	1.495	261	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.4938	1.046	5	124.3259	1.495	261	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.1565	0.087	2	124.3259	1.495	261	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(N[5]C[5,6a]C[5])	126.1370	0.000	1	124.3259	1.495	261	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(N[5]C[5,6a]C[5])	123.4840	1.030	2	124.3259	1.495	261	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.1949	0.648	61	124.3259	1.495	261	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(N[5]C[5,6a]C[5])	124.2870	0.194	2	124.3259	1.495	261	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(N[5]C[5,6a]C[5])	122.8103	1.584	3	124.3259	1.495	261	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	125.0257	1.750	3	124.3259	1.495	261	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(N[5]C[5,6a]C[5])	124.6230	0.003	3	124.6230	0.000	3	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]S)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|S<1>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	124.6580	0.000	1	124.6580	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.0300	0.000	1	124.1215	0.017	2	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.2130	0.000	1	124.1215	0.017	2	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.1990	0.000	1	124.1990	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.8818	2.653	6	124.0665	1.730	64	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	123.9320	0.034	3	124.0665	1.730	64	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	H(N[5]C[5,6a]C[5])	123.9525	0.177	2	124.0665	1.730	64	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.2962	0.831	12	124.0665	1.730	64	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.1910	0.000	1	124.0665	1.730	64	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	123.8585	0.086	2	124.0665	1.730	64	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(N[5]C[5,6a]C[5])	123.7800	0.000	1	124.0665	1.730	64	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.0195	2.153	4	124.0665	1.730	64	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(N[5]C[5,6a]C[5])	124.0470	0.000	1	124.0665	1.730	64	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	124.1030	0.000	1	124.0665	1.730	64	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	124.1223	1.143	31	124.0665	1.730	64	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	123.3460	0.000	1	124.8706	3.674	12	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(N[5]C[5,6a]C[5])	125.4140	0.042	2	124.8706	3.674	12	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	H(N[5]C[5,6a]C[5])	127.1395	2.427	2	124.8706	3.674	12	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.2849	1.775	7	124.8706	3.674	12	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(N[5]C[5,6a]C[5])	129.6230	0.000	1	129.6230	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(N[5]C[5]H){1|O<1>,2|N<2>,4|C<3>}	H(N[5]C[5,6a]C[5])	125.2610	0.000	1	125.2610	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(N[5]C[5,6a]C[5])	128.7610	0.000	1	128.7610	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(N[5]C[5,6a]C[5])	124.7060	0.000	1	125.3457	5.992	16	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(N[5]C[5,6a]C[5])	124.7760	0.000	1	125.3457	5.992	16	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.7743	1.809	3	125.3457	5.992	16	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.2817	2.445	10	125.3457	5.992	16	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|F<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.9100	0.000	1	125.3457	5.992	16	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	119.1255	2.443	2	119.1255	5.969	2	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.5190	0.000	1	124.5190	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.4140	0.082	4	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Cd<5>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.4000	0.040	2	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Co<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.1890	0.030	2	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Co<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.5472	0.177	10	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Eu<13>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Eu<13>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.1480	0.651	4	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.3545	0.308	2	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Gd<15>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Gd<15>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.3330	0.000	1	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ir<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	H(N[5]C[5,6a]C[5])	127.0595	0.185	2	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ir<8>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<8>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	127.5318	2.660	4	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Mn<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.5285	0.059	2	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.1795	0.063	2	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ni<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.5800	0.095	3	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.1180	0.000	1	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Os<9>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<9>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.5590	0.000	1	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.2000	0.074	2	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Ru<6>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.7270	0.000	1	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Tb<15>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Tb<15>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.4610	0.000	1	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|Zn<4>,1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.1510	0.000	1	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.7125	1.484	2	126.4507	0.789	47	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	H(N[5]C[5,6a]C[5])	124.7520	0.000	1	124.7520	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	123.5330	0.000	1	124.8404	11.150	7	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	H(N[5]C[5,6a]C[5])	122.2680	0.000	1	124.8404	11.150	7	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	125.6164	3.727	5	124.8404	11.150	7	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	H(N[5]C[5,6a]C[5])	125.3578	0.991	6	125.2407	0.915	7	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.5380	0.000	1	125.2407	0.915	7	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.1100	0.030	2	124.7381	0.478	7	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	H(N[5]C[5,6a]C[5])	124.9797	0.443	3	124.7381	0.478	7	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	H(N[5]C[5,6a]C[5])	125.8310	0.000	1	124.7381	0.478	7	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	124.1770	0.000	1	124.7381	0.478	7	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|F<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	H(N[5]C[5,6a]C[5])	125.5743	1.551	7	125.1972	3.199	8	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	122.5580	0.000	1	125.1972	3.199	8	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.1360	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.2170	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.2931	0.721	8	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(N[5]C[5,6a]C[5])	124.4040	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(N[5]C[5,6a]C[5])	124.2160	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.3874	1.177	40	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(N[5]C[5,6a]C[5])	124.3080	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	123.9920	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.0052	0.921	15	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(N[5]C[5,6a]C[5])	124.1312	0.383	13	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.0050	0.021	2	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(N[5]C[5,6a]C[5])	125.5263	4.273	3	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.7049	1.632	64	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	123.6580	0.000	2	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	127.2944	3.236	5	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(N[5]C[5,6a]C[5])	124.3520	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	121.7183	2.203	3	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	H(N[5]C[5,6a]C[5])	122.2095	4.059	4	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|F<1>,1|H<1>,2|O<1>}	H(N[5]C[5,6a]C[5])	127.2890	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,2|O<1>}	H(N[5]C[5,6a]C[5])	124.5955	1.152	2	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	H(N[5]C[5,6a]C[5])	124.5125	1.639	12	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	H(N[5]C[5,6a]C[5])	124.4880	3.279	3	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,2|O<1>}	H(N[5]C[5,6a]C[5])	120.0140	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(N[5]C[5,6a]C[5])	124.1010	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.1195	0.225	4	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.1590	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(N[5]C[5,6a]C[5])	124.0820	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	123.5142	3.904	9	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|F<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.0662	0.165	4	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(N[5]C[5,6a]C[5])	124.7530	0.955	2	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,2|C<3>,2|S<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|S<2>}	H(N[5]C[5,6a]C[5])	123.8150	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	H(N[5]C[5,6a]C[5])	124.3060	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(N[5]C[5,6a]C[5])	127.5350	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|S<6>,2|C<3>}	H(N[5]C[5,6a]C[5])	123.4070	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.4303	0.450	71	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	123.9106	0.166	5	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|O<2>,3|C<3>}	H(N[5]C[5,6a]C[5])	125.1730	0.797	4	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(N[5]C[5,6a]C[5])	124.0910	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	H(N[5]C[5,6a]C[5])	124.0130	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	130.6280	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,4|H<1>}	H(N[5]C[5,6a]C[5])	124.8648	1.884	17	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.8420	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.2685	5.832	2	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	124.4045	0.753	6	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	123.7827	0.120	3	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	H(N[5]C[5,6a]C[5])	125.0740	0.000	1	124.4431	2.651	324	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|I<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.1410	0.254	3	124.2957	0.139	4	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|I<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	H(N[5]C[5,6a]C[5])	124.7600	0.000	1	124.2957	0.139	4	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	123.6850	0.000	1	123.6850	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.3510	0.000	1	122.3510	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.9190	0.730	3	124.9190	0.533	3	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.5790	0.000	1	125.7458	1.081	18	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Cu<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.3580	0.000	1	125.7458	1.081	18	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.4790	0.841	2	125.7458	1.081	18	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.0611	1.134	8	125.7458	1.081	18	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Os<9>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<9>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.3350	0.000	1	125.7458	1.081	18	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.4907	0.207	3	125.7458	1.081	18	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.3930	0.000	1	125.7458	1.081	18	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Zn<5>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.8410	0.000	1	125.7458	1.081	18	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.0500	0.000	1	122.0500	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	118.4120	0.000	1	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cd<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.4210	0.000	1	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cd<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.5456	0.143	5	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Co<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.5000	0.000	1	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Co<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.0523	0.646	3	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Co<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.6730	0.618	6	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cr<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.2835	0.047	2	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.8970	2.343	4	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Cu<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	127.9360	2.167	2	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Fe<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.4150	0.000	1	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.3882	4.004	5	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.1070	0.167	2	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ir<8>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<8>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.8890	0.000	1	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Mn<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<5>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.9350	0.000	1	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Mn<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.6810	0.741	6	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Mn<8>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<8>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.9030	0.000	1	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.4200	0.931	2	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.5991	2.658	12	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ni<7>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<7>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.4510	0.730	4	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.3720	0.000	1	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.2207	0.500	4	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Ru<9>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.1140	0.686	2	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Zn<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.3400	0.000	1	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Zn<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	128.7390	0.000	1	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){1|Zn<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.6247	0.156	6	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	121.8095	3.966	2	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.0053	1.549	18	125.8266	4.240	95	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){2|H<1>,5|C<3>}	H(N[5]C[5,6a]C[5])	127.0110	3.403	2	127.0110	11.578	2	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ag<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ag<2>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.7410	0.870	2	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Be<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Be<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.2770	0.000	1	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.3540	0.000	1	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.0695	2.214	6	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cd<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	130.3580	0.000	1	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cd<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.8310	0.000	1	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Co<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.1260	0.935	8	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cu<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<2>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.8840	0.000	1	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Cu<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.9781	0.585	7	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Fe<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.1050	0.000	1	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|In<5>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|In<5>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	127.0785	0.056	2	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ir<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.8687	1.717	4	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Mn<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.1420	0.000	1	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Mo<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	120.5870	0.000	1	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.2290	2.574	4	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ni<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	119.4653	10.714	3	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ni<5>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<5>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.7910	0.000	1	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pt<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.5327	0.703	9	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Ru<9>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.1390	0.000	1	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|Zn<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.5721	1.532	10	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	128.9130	0.000	1	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.3373	1.889	30	125.4657	6.463	96	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	121.5170	0.000	1	121.5170	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	121.1495	0.989	2	121.3504	1.047	5	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	120.0610	0.000	1	121.3504	1.047	5	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|Hg<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.0650	0.000	1	121.3504	1.047	5	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|Mo<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.3270	0.000	1	121.3504	1.047	5	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.1574	2.633	7	122.1574	6.930	7	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2)(H){1|Ru<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|N<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	127.2928	0.196	5	127.2928	0.038	5	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(N[5]C[5,6a]C[5])	125.7150	0.529	2	125.7150	0.280	2	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cr<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|Cr<6>,1|C<4>,1|H<1>,2|C<3>}	H(N[5]C[5,6a]C[5])	123.6600	0.000	1	123.6600	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ag<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.8633	5.822	3	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.2070	0.000	1	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(N[5]C[5,6a]C[5])	128.1485	5.075	2	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.3741	3.094	7	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.1420	0.000	1	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<4>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.4425	0.054	2	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cd<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	127.9278	1.712	4	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cd<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.1745	0.405	2	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	127.6790	1.954	5	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.0135	0.332	6	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	128.0482	3.117	5	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	131.4260	3.356	3	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.7785	0.329	6	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Co<7>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<7>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.9015	0.148	2	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cr<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.8236	1.389	5	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<2>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.2880	0.307	3	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<3>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.1210	0.184	4	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.7709	0.229	8	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.9744	0.883	19	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	H(N[5]C[5,6a]C[5])	125.7530	0.000	1	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.4700	0.052	2	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Cu<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<6>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.9657	0.252	4	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Eu<13>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Eu<13>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.2350	0.000	1	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Fe<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.4730	1.952	2	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Fe<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.0651	0.457	10	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	124.6600	0.000	1	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Hg<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.8053	0.063	3	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Hg<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,1|C<3>,1|H<1>,2|C<4>}	H(N[5]C[5,6a]C[5])	125.8490	0.000	1	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Hg<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.1910	0.000	1	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	127.8092	2.330	32	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.1720	0.064	2	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Mo<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.5250	0.000	1	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.8957	1.800	23	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.4510	0.000	1	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	127.7347	3.386	3	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ru<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.0640	0.154	2	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.9464	2.869	12	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|H<1>,2|C<4>}	H(N[5]C[5,6a]C[5])	125.7160	0.000	1	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Zn<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.5800	0.000	1	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Zn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<6>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.0658	0.262	4	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.6600	1.697	183	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.7220	0.000	1	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.4070	0.212	2	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	124.5598	1.755	6	126.0430	4.216	388	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,1|C<3>,1|O<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	123.7390	0.000	1	123.7685	0.002	2	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Fe)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	123.7980	0.000	1	123.7685	0.002	2	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.3480	0.000	1	126.3480	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.7501	0.643	15	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Cd<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.4382	0.233	6	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Cd<8>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<8>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.2347	0.095	3	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	127.3410	0.000	1	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	113.6310	0.000	1	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.9660	0.123	5	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	123.6225	2.816	2	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.4079	0.129	12	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.3000	0.233	2	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.0170	0.000	1	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Cu<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.3110	0.000	1	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.4775	0.128	2	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Mn<8>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<8>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.1770	0.000	1	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ni<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.3680	0.000	1	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.4033	0.060	3	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.9444	1.307	5	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.3750	0.288	2	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Os<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<6>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.1713	0.338	4	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Os<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<9>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.1740	0.000	1	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.8020	0.000	1	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.1766	0.246	5	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ru<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	132.2640	0.000	1	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.3120	0.138	3	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Zn<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,1|C<3>,1|N<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	130.2470	2.414	2	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5])	127.8690	0.936	2	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.1540	0.000	1	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	H(N[5]C[5,6a]C[5])	125.6752	1.959	168	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.1370	0.110	2	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	128.8275	3.839	2	125.8750	3.839	255	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<5>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){1|Co<5>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.6240	0.000	1	126.5440	0.013	2	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Zn<5>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){1|Zn<5>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.4640	0.000	1	126.5440	0.013	2	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Co<6>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|Co<6>,1|C<3>,1|H<1>}	H(N[5]C[5,6a]C[5])	126.7952	0.687	4	126.3500	2.625	10	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.1605	0.139	2	126.3500	2.625	10	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.8113	3.195	3	126.3500	2.625	10	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.5640	0.000	1	126.3500	2.625	10	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N[5])(N[5]C[5]H){2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	128.7400	0.000	1	128.7400	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	127.0263	1.395	11	126.8264	3.594	39	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.6482	2.655	12	126.8264	3.594	39	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	127.7664	1.505	7	126.8264	3.594	39	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,4|H<1>}	H(N[5]C[5,6a]C[5])	125.7286	1.768	5	126.8264	3.594	39	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Pt<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Pt<4>,1|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.4973	0.223	3	126.8264	3.594	39	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|Ru<9>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Ru<9>,1|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.6630	0.000	1	126.8264	3.594	39	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|H<1>,1|N<2>,1|N<3>,1|S<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H){1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.8850	0.000	1	125.8850	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	H(N[5]C[5,6a]C[5])	121.3090	0.000	1	123.4117	3.325	3	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	H(N[5]C[5,6a]C[5])	124.4630	0.133	2	123.4117	3.325	3	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ir)(H){1|C<4>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|C<4>}	H(N[5]C[5,6a]C[5])	124.6260	0.000	1	124.6260	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Mn)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	127.4240	0.000	1	127.4240	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.7740	0.000	1	126.4693	6.181	89	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(N[5]C[5,6a]C[5])	125.1830	0.000	1	126.4693	6.181	89	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Co<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	129.6900	0.000	1	126.4693	6.181	89	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Co<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.5260	0.283	2	126.4693	6.181	89	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|N<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.4980	0.000	1	126.4693	6.181	89	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Fe<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,1|C<3>,1|N<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	127.8190	0.000	1	126.4693	6.181	89	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Mn<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<5>,1|C<3>,1|N<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.5830	0.000	1	126.4693	6.181	89	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){1|Ru<8>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,1|C<3>,1|N<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.7830	0.000	1	126.4693	6.181	89	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	130.6300	0.000	1	126.4693	6.181	89	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.7150	0.356	2	126.4693	6.181	89	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	121.0660	0.000	1	126.4693	6.181	89	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.4756	2.578	73	126.4693	6.181	89	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|N<3>}	H(N[5]C[5,6a]C[5])	125.5650	0.000	1	126.4693	6.181	89	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.4855	1.510	2	126.4693	6.181	89	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ni)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	120.4225	5.779	2	120.4225	33.399	2	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	128.0730	0.000	1	128.0730	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Pt)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.9670	0.000	1	124.9670	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	123.9525	0.218	4	124.1543	0.094	14	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Re)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	124.2350	0.309	10	124.1543	0.094	14	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.0572	0.253	5	124.0113	0.272	12	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|H<1>,2|C<4>}	H(N[5]C[5,6a]C[5])	124.1405	0.049	2	124.0113	0.272	12	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	H(N[5]C[5,6a]C[5])	123.3500	0.963	2	124.0113	0.272	12	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.2897	0.573	3	124.0113	0.272	12	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Ru)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,1|H<1>}	H(N[5]C[5,6a]C[5])	124.3380	0.000	1	124.3380	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|B<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.0955	0.394	2	126.0458	10.766	37	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	H(N[5]C[5,6a]C[5])	125.6940	0.000	1	126.0458	10.766	37	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.6040	0.000	1	126.0458	10.766	37	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|S<1>,2|C<4>}	H(N[5]C[5,6a]C[5])	124.4380	0.000	1	126.0458	10.766	37	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|S<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.7385	0.045	2	126.0458	10.766	37	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Cu<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|S<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	134.1545	2.238	2	126.0458	10.766	37	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Fe<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<4>,1|C<3>,1|S<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.6020	0.000	1	126.0458	10.766	37	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pd<4>,1|C<3>,1|S<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.0000	0.000	1	126.0458	10.766	37	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Rh<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Rh<6>,1|C<3>,1|S<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	121.2070	0.000	1	126.0458	10.766	37	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|Si<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Si<4>,1|C<3>,1|S<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.6655	0.046	2	126.0458	10.766	37	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.9690	0.000	1	126.0458	10.766	37	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.9315	0.170	2	126.0458	10.766	37	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<2>,1|S<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	128.1610	0.000	1	126.0458	10.766	37	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.0727	4.182	6	126.0458	10.766	37	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.4164	3.077	13	126.0458	10.766	37	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	H(N[5]C[5,6a]C[5])	125.3780	0.000	1	125.3780	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.3450	0.000	1	124.9086	21.536	11	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Se)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.7650	4.866	10	124.9086	21.536	11	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.7670	0.000	1	126.7670	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Ir)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Ir)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,1|O<2>}	H(N[5]C[5,6a]C[5])	124.7630	0.052	2	124.7630	0.003	2	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]N)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	H(N[5]C[5,6a]C[5])	127.0493	1.291	3	127.0493	1.668	3	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Pd)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Pd)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pd<4>,1|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.7210	0.000	1	125.7210	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Re)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]Re)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.2020	0.000	1	124.2020	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|H<1>,1|S<1>,2|C<3>}	H(N[5]C[5,6a]C[5])	127.2780	0.000	1	127.2780	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.1770	0.489	2	125.2173	0.125	3	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.2980	0.000	1	125.2173	0.125	3	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.7260	0.204	2	122.7260	0.041	2	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	122.8194	0.128	5	122.8194	0.016	5	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.1650	2.426	4	124.1298	5.118	38	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.1257	2.281	34	124.1298	5.118	38	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]P)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]P)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|P<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	129.1710	0.000	1	129.1710	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(N[5]C[5,6a]C[5])	120.1250	3.622	2	121.7278	4.710	8	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	121.7685	0.036	2	121.7278	4.710	8	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]S)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.5087	2.022	4	121.7278	4.710	8	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]Se)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<1>,1|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.0210	0.000	1	122.0210	0.000	1	125.2665	4.498	1984	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	H(N[5]C[5,6a]C[5])	126.0103	2.738	7	126.7846	6.467	12	126.6676	5.117	18	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]C)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(N[5]C[5,6a]C[5])	127.8686	2.005	5	126.7846	6.467	12	126.6676	5.117	18	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>}	H(N[5]C[5,6a]C[5])	126.4980	1.999	3	126.4337	3.073	6	126.6676	5.117	18	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<2>}	H(N[5]C[5,6a]C[5])	126.3840	0.000	1	126.4337	3.073	6	126.6676	5.117	18	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,2|N<3>}	H(N[5]C[5,6a]C[5])	126.3620	2.711	2	126.4337	3.073	6	126.6676	5.117	18	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){1|N<2>,2|H<1>,4|C<3>}	H(N[5]C[5,6a]C[5])	125.8690	0.000	1	125.9070	0.003	2	126.0681	4.008	9	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){1|N<3>,2|H<1>,4|C<3>}	H(N[5]C[5,6a]C[5])	125.9450	0.000	1	125.9070	0.003	2	126.0681	4.008	9	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(N[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	H(N[5]C[5,6a]C[5])	127.1500	0.000	1	127.1500	0.000	1	126.0681	4.008	9	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]C[5]H){1|N<2>,2|H<1>,4|C<3>}	H(N[5]C[5,6a]C[5])	124.9610	0.000	1	124.9610	0.000	1	126.0681	4.008	9	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]C[5]H){2|H<1>,5|C<3>}	H(N[5]C[5,6a]C[5])	126.6653	2.830	4	126.6653	8.006	4	126.0681	4.008	9	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]S[5]C)(H){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(N[5]C[5]H){2|H<1>,4|C<3>}	H(N[5]C[5,6a]C[5])	124.0270	0.000	1	124.0270	0.000	1	126.0681	4.008	9	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5]C[5]H){1|C<4>,2|H<1>,4|C<3>}	H(N[5]C[5,6a]C[5])	124.4550	0.000	1	124.4550	0.000	1	124.4550	0.000	1	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.7800	0.000	1	124.7800	0.000	1	124.1157	10.533	9	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5])	125.4750	0.000	1	125.3245	2.876	4	124.1157	10.533	9	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	123.2010	0.000	1	125.3245	2.876	4	124.1157	10.533	9	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	H(N[5]C[5,6a]C[5])	126.3110	1.467	2	125.3245	2.876	4	124.1157	10.533	9	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5a]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	121.5935	7.316	2	121.5935	53.530	2	124.1157	10.533	9	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	125.1110	0.000	1	123.8880	2.991	2	124.1157	10.533	9	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(H){2|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	122.6650	0.000	1	123.8880	2.991	2	124.1157	10.533	9	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]B)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]B)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]N[5]H){1|B<4>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]N[5])	130.2390	0.000	1	130.2390	0.000	1	125.3116	1.904	56	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Cu)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Cu<6>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]N[5])	124.4622	0.543	4	124.4622	0.295	4	125.3116	1.904	56	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Fe)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Fe<5>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]N[5])	124.9140	0.000	1	124.9140	0.000	1	125.3116	1.904	56	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,4|H<1>}	H(N[5]C[5,6a]N[5])	126.3825	0.385	4	126.3825	0.148	4	125.3116	1.904	56	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Os)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Os)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Os<6>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]N[5])	125.0005	0.271	6	125.0005	0.074	6	125.3116	1.904	56	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Re<6>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]N[5])	125.2213	0.351	6	124.9569	0.192	10	125.3116	1.904	56	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Re)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Re<6>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]N[5])	124.5602	0.143	4	124.9569	0.192	10	125.3116	1.904	56	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Br<1>,1|Ru<6>,1|C<3>,2|H<1>}	H(N[5]C[5,6a]N[5])	124.3600	0.000	1	125.3325	2.492	28	125.3116	1.904	56	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Ru)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Ru<6>,1|C<3>,3|H<1>}	H(N[5]C[5,6a]N[5])	125.3686	1.597	27	125.3325	2.492	28	125.3116	1.904	56	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]Zn)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Zn<5>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]N[5])	124.7810	0.000	1	124.7810	0.000	1	125.3116	1.904	56	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Co)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<6>,1|C<3>,2|H<1>}	H(N[5]C[5,6a]N[5])	125.2540	0.000	1	125.2540	0.000	1	125.3116	1.904	56	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]Zn)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]Zn)(H){1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]N[5]H){1|Zn<4>,3|C<3>,3|H<1>}	H(N[5]C[5,6a]N[5])	123.0270	0.000	1	123.0270	0.000	1	123.0270	0.000	1	125.2719	4.492	2114	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:2:3:	3:	C[5,6a]-3:C[5]-4:H-1:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HO)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HO)(H){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[5a,6a])(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	H(N[5]C[5,6a]C[5])	124.3470	0.000	1	124.3470	0.000	1	124.3470	0.000	1	124.3470	0.000	1	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[3x5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2O[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	H(N[5]C[5,6a]C[3x5])	N[5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2O[5])(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[3x5])	124.3770	0.000	1	124.3770	0.000	1	124.3770	0.000	1	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	124.1760	0.000	1	124.1760	0.000	1	122.7710	16.819	21	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,4|C<3>}	H(N[5]C[5,6a]C[5,5])	125.5640	0.000	1	125.5640	0.000	1	122.7710	16.819	21	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(N[5]C[5,6a]C[5,5])	124.6850	0.000	1	124.6850	0.000	1	122.7710	16.819	21	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5,5])	120.7430	0.000	1	120.7430	0.000	1	122.7710	16.819	21	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	126.1670	0.000	1	124.3561	7.948	9	122.7710	16.819	21	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	125.1593	0.615	3	124.3561	7.948	9	122.7710	16.819	21	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	126.0597	0.775	3	124.3561	7.948	9	122.7710	16.819	21	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	119.6905	2.041	2	124.3561	7.948	9	122.7710	16.819	21	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]I)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|I<1>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]I)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	115.7700	0.000	1	115.7700	0.000	1	122.7710	16.819	21	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	113.1980	0.000	1	119.1010	69.691	2	122.7710	16.819	21	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<2>,3|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	125.0040	0.000	1	119.1010	69.691	2	122.7710	16.819	21	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5,5])	124.6080	0.000	1	124.6080	0.000	1	122.7710	16.819	21	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<1>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5,5])	125.1750	0.000	1	119.7905	57.986	2	122.7710	16.819	21	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){3|C<3>,4|H<1>}	H(N[5]C[5,6a]C[5,5])	114.4060	0.000	1	119.7905	57.986	2	122.7710	16.819	21	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(N[5]C[5,6a]C[5,5])	124.8090	0.000	1	124.8090	0.000	1	122.7710	16.819	21	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]C[5]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(N[5]C[5,6a]C[5,5])	120.8470	0.000	1	120.8470	0.000	1	122.7710	16.819	21	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5,6])	125.7840	0.000	1	125.7840	0.000	1	124.7747	11.948	20	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,2|C<4>,4|H<1>}	H(N[5]C[5,6a]C[5,6])	126.2210	0.000	2	122.1597	49.483	3	124.7747	11.948	20	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,4|H<1>}	H(N[5]C[5,6a]C[5,6])	114.0370	0.000	1	122.1597	49.483	3	124.7747	11.948	20	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Ru)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Ru)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Ru<11>,1|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5,6])	132.5460	0.000	1	132.5460	0.000	1	124.7747	11.948	20	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5,6])	125.6970	0.000	1	125.6970	0.000	1	124.7747	11.948	20	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(H){2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<4>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5,6])	125.5625	0.257	10	125.5625	0.066	10	124.7747	11.948	20	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(N[5]C[5,6a]C[5,6])	119.6790	0.000	1	122.3935	14.737	2	124.7747	11.948	20	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(N[5]C[5,6a]C[5,6])	125.1080	0.000	1	122.3935	14.737	2	124.7747	11.948	20	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2S[5])(H){2|C<3>,2|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(N[5]C[5,6a]C[5,6])	122.2880	0.154	2	122.2880	0.024	2	124.7747	11.948	20	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.2860	0.059	2	126.2860	0.004	2	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	122.6850	0.000	1	122.6850	0.000	1	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|C<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(N[5]C[5,6a]C[5])	121.2050	0.000	1	121.4360	0.107	2	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|C<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	121.6670	0.000	1	121.4360	0.107	2	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(N[5]C[5,6a]C[5])	125.8310	0.000	1	125.8310	0.000	1	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.2890	0.000	1	126.2890	0.000	1	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	123.7300	0.607	2	123.7300	0.368	2	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(N[5]C[5,6a]C[5])	124.4600	0.000	1	121.1146	4.217	5	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	121.0545	0.605	2	121.1146	4.217	5	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	119.2750	0.000	1	121.1146	4.217	5	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	119.7290	0.000	1	121.1146	4.217	5	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	125.1330	0.000	1	124.9047	0.092	3	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	124.7905	0.325	2	124.9047	0.092	3	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	119.3970	0.000	1	119.3970	0.000	1	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,3|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	126.6170	0.000	1	125.2165	1.442	6	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.7570	0.000	1	125.2165	1.442	6	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.3530	0.201	3	125.2165	1.442	6	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<2>,2|H<1>,4|C<3>}	H(N[5]C[5,6a]C[5])	126.8660	0.000	1	125.2165	1.442	6	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C[6])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.9643	0.541	3	124.9643	0.293	3	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	115.5960	0.000	1	115.5050	0.017	2	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){3|H<1>,4|C<3>}	H(N[5]C[5,6a]C[5])	115.4140	0.000	1	115.5050	0.017	2	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	125.1800	0.000	1	125.0665	0.026	2	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5])	124.9530	0.000	1	125.0665	0.026	2	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]DyN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]DyN)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Dy<15>,1|C<3>,1|N<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.3785	0.077	2	126.3785	0.006	2	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HoN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HoN)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ho<15>,1|C<3>,1|N<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.4015	0.084	2	126.4015	0.007	2	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]TbN)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]TbN)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Tb<15>,1|C<3>,1|N<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	126.7240	0.247	2	126.7240	0.061	2	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CC)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	115.9670	0.000	1	115.9670	0.000	1	123.6764	10.305	38	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(N[5]C[5,6a]C[5])	123.9300	0.000	1	122.3040	5.288	2	122.3040	5.288	2	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|O<1>,4|H<1>}	H(N[5]C[5,6a]C[5])	120.6780	0.000	1	122.3040	5.288	2	122.3040	5.288	2	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:P[5,6]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(P[5,6]N[5]N[6]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]P[5,6]H)	H(N[5]C[5,6a]P[5,6])	N[5](C[5,6a]C[6a,6a]C[5,6a])(P[5,6]N[5]N[6]2)(H){1|H<1>,2|P<4>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(N[5]P[5,6]H){2|H<1>,2|N<2>,4|C<3>}	H(N[5]C[5,6a]P[5,6])	122.9760	0.000	1	122.9760	0.000	1	122.9760	0.000	1	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:P[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]S[5]Se)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]P[5]H)	H(N[5]C[5,6a]P[5])	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]S[5]Se)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]P[5]H){1|Se<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]P[5])	120.8490	0.000	1	120.8490	0.000	1	122.4120	2.150	3	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:P[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]NO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	H(N[5]C[5,6a]P[5])	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]NO)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(N[5]C[5,6a]P[5])	123.7570	0.000	1	123.7570	0.000	1	122.4120	2.150	3	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:P[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]SS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H)	H(N[5]C[5,6a]P[5])	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]SS)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H){2|C<3>,2|H<1>,2|S<1>}	H(N[5]C[5,6a]P[5])	122.6300	0.000	1	122.6300	0.000	1	122.4120	2.150	3	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:S[5]-4:H-1:	C[5,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6,6a])(S[5]N[5]OO)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]H)	H(N[5]C[5,6a]S[5])	N[5](C[5,6a]C[5,6a]C[6,6a])(S[5]N[5]OO)(H){3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6,6a]C[6,6a]C[6])(N[5]S[5]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	H(N[5]C[5,6a]S[5])	128.1350	0.000	1	128.1350	0.000	1	128.1350	0.000	1	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:S[5]-4:H-1:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5]H)	H(N[5]C[5,6a]S[5])	N[5](C[5,6a]C[6a,6a]C[5,6a])(S[5]N[5]OO)(H){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6,6a]N[5])(N[5]S[5]H){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	H(N[5]C[5,6a]S[5])	125.5790	0.000	1	125.5790	0.000	1	125.5790	0.000	1	123.7079	11.823	88	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[3x5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	H(N[5]C[5,6a]C[3x5])	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(N[5]C[5,6a]C[3x5])	124.7945	0.448	2	124.7945	0.200	2	124.7945	0.200	2	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,3x6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H)	H(N[5]C[5,3x6]C[5,6a])	N[5](C[5,3x6]C[5,5,6,6]C[6,6]2)(C[5,6a]C[5,6a]C[6a])(H){3|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	H(N[5]C[5,3x6]C[5,6a])	114.8465	2.394	2	114.8465	5.729	2	114.8465	5.729	2	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	H(N[5]C[5,5,6]C[5,6a])	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(N[5]C[5,5,6]C[5,6a])	119.4740	3.446	2	119.4740	11.878	2	121.9398	28.907	6	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	H(N[5]C[5,5,6]C[5,6a])	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,5,6]C[5,6a])	114.0480	0.000	1	114.0480	0.000	1	121.9398	28.907	6	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	H(N[5]C[5,5,6]C[5,6a])	N[5](C[5,5,6]C[5,5,6]C[6,6]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,5,6]C[5,6a])	124.7090	0.000	1	124.7090	0.000	1	121.9398	28.907	6	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	H(N[5]C[5,5,6]C[5,6a])	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,5,6]C[5,6a])	126.9670	0.000	2	126.9670	0.000	2	121.9398	28.907	6	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	124.4715	0.114	2	124.4715	0.013	2	122.7032	21.639	14	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	128.0270	0.000	1	128.0270	0.000	1	122.7032	21.639	14	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	126.5200	0.000	1	126.5200	0.000	1	122.7032	21.639	14	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,3|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	125.6090	0.000	1	125.6090	0.000	1	122.7032	21.639	14	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5,5])	115.7660	0.000	1	115.7660	0.000	1	122.7032	21.639	14	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	H(N[5]C[5,6a]C[5,5])	115.8293	1.176	3	115.8293	1.383	3	122.7032	21.639	14	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5,5])	123.7820	0.000	1	123.7820	0.000	1	122.7032	21.639	14	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	125.4615	0.151	2	125.4275	0.064	4	122.7032	21.639	14	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]N[5,6,6]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	125.3935	0.407	2	125.4275	0.064	4	122.7032	21.639	14	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]H)(C[6a]C[6a]H)	H(N[5]C[5,6,6]C[5,6a])	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(N[5]C[5,6,6]C[5,6a])	125.0210	0.000	1	125.0210	0.000	1	125.0210	0.000	1	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5,6])	124.4270	0.000	1	124.4270	0.000	1	123.8713	21.559	11	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,6])	126.5395	0.052	2	126.5395	0.003	2	123.8713	21.559	11	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,6])	127.0670	0.000	1	127.0670	0.000	1	123.8713	21.559	11	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5,6])	126.2700	0.000	1	126.2700	0.000	1	123.8713	21.559	11	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(H){1|Br<1>,1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[5]C[5,6a]C[5,6])	125.5060	0.000	1	125.5060	0.000	1	123.8713	21.559	11	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5,6])	122.7403	5.870	4	121.2470	36.992	5	123.8713	21.559	11	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP2_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,6])	115.2740	0.000	1	121.2470	36.992	5	123.8713	21.559	11	122.6770	22.955	36	125.1974	5.404	2348	125.2017	5.458	2357
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(N[5]C[5,6a]C[5,6])	126.5250	0.000	1	126.5250	0.000	1	121.0710	20.053	4	119.4860	27.061	10	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5,6])	118.1545	3.641	2	118.1545	13.256	2	121.0710	20.053	4	119.4860	27.061	10	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(N[5]C[5,6a]C[5,6])	121.4500	0.000	1	121.4500	0.000	1	121.0710	20.053	4	119.4860	27.061	10	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5])	121.2630	0.000	1	121.2630	0.000	1	119.4414	33.980	5	119.4860	27.061	10	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	109.3350	0.000	1	109.3350	0.000	1	119.4414	33.980	5	119.4860	27.061	10	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	120.9920	0.000	1	120.9920	0.000	1	119.4414	33.980	5	119.4860	27.061	10	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5])	121.1680	0.000	1	121.1680	0.000	1	119.4414	33.980	5	119.4860	27.061	10	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(N[5]C[5,6a]C[5])	124.4490	0.000	1	124.4490	0.000	1	119.4414	33.980	5	119.4860	27.061	10	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(N[5]Si[5,6]C[6a])(H)	C[5,6a](C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5]H)	H(N[5]C[5,6a]N[5])	N[5](C[5,6a]C[5,6a]C[6a])(N[5]Si[5,6]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5]H){2|C<3>,2|H<1>,2|N<3>}	H(N[5]C[5,6a]N[5])	113.3690	0.000	1	113.3690	0.000	1	113.3690	0.000	1	119.4860	27.061	10	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[4,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H)	H(N[5]C[5,6a]C[4,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H){2|C<4>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[4,5])	119.5370	0.000	1	116.7500	17.649	3	116.7500	17.649	3	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[4,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H)	H(N[5]C[5,6a]C[4,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]C)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H){2|C<3>,2|H<1>,3|C<4>}	H(N[5]C[5,6a]C[4,5])	115.3565	4.863	2	116.7500	17.649	3	116.7500	17.649	3	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	118.3520	0.000	1	118.3520	0.000	1	118.1960	2.667	21	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){2|C<4>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5,5])	116.6620	0.000	1	117.5842	2.001	4	118.1960	2.667	21	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|H<1>,4|C<4>}	H(N[5]C[5,6a]C[5,5])	116.1310	0.000	1	117.5842	2.001	4	118.1960	2.667	21	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,3|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	118.7720	0.468	2	117.5842	2.001	4	118.1960	2.667	21	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,4|H<1>}	H(N[5]C[5,6a]C[5,5])	118.2345	1.541	2	118.2345	2.374	2	118.1960	2.667	21	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5,5])	117.2900	0.000	1	116.1882	2.200	4	118.1960	2.667	21	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5,5])	115.8210	1.578	3	116.1882	2.200	4	118.1960	2.667	21	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|Br<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	118.1080	0.000	1	118.1080	0.000	1	118.1960	2.667	21	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	118.8265	0.004	2	118.7442	0.774	4	118.1960	2.667	21	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	118.6620	1.515	2	118.7442	0.774	4	118.1960	2.667	21	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5,5])	121.0210	0.000	1	121.0210	0.000	1	118.1960	2.667	21	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<1>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5,5])	119.8860	0.000	1	119.8860	0.000	1	118.1960	2.667	21	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5,5])	118.7130	0.000	1	118.8385	0.032	2	118.1960	2.667	21	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5,5])	118.9640	0.000	1	118.8385	0.032	2	118.1960	2.667	21	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(N[5]C[5,6a]C[5,5])	120.5370	0.000	1	120.5370	0.000	1	118.1960	2.667	21	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(N[5]C[5,6]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5,6])	114.2900	0.000	1	114.2900	0.000	1	112.2543	18.174	3	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,4|H<1>}	H(N[5]C[5,6a]C[5,6])	107.3550	0.000	1	107.3550	0.000	1	112.2543	18.174	3	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[5,6])	115.1180	0.000	1	115.1180	0.000	1	112.2543	18.174	3	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5])	116.6140	0.000	1	116.6140	0.000	1	117.0701	7.128	20	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	H(N[5]C[5,6a]C[5])	115.5560	0.000	1	115.5560	0.000	1	117.0701	7.128	20	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5])	119.0730	0.000	1	119.0730	0.000	1	117.0701	7.128	20	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,5|H<1>}	H(N[5]C[5,6a]C[5])	117.0108	3.532	4	117.0108	12.474	4	117.0701	7.128	20	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	H(N[5]C[5,6a]C[5])	109.6870	0.000	1	109.6870	0.000	1	117.0701	7.128	20	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	114.4590	0.000	1	114.4590	0.000	1	117.0701	7.128	20	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2S[5])(H){1|H<1>,2|C<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	119.0900	0.000	1	119.0900	0.000	1	117.0701	7.128	20	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(N[5]C[5,6a]C[5])	117.1670	0.000	1	117.7195	0.611	2	117.0701	7.128	20	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	118.2720	0.000	1	117.7195	0.611	2	117.0701	7.128	20	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(H){1|C<2>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	115.4320	0.000	1	115.4320	0.000	1	117.0701	7.128	20	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5])	119.3950	0.000	1	119.3950	0.000	1	117.0701	7.128	20	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5])	115.8500	0.000	1	117.2450	1.909	3	117.0701	7.128	20	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){3|H<1>,4|C<3>}	H(N[5]C[5,6a]C[5])	117.9425	0.948	2	117.2450	1.909	3	117.0701	7.128	20	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5])	119.2020	1.246	2	119.2020	1.552	2	117.0701	7.128	20	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(N[5]C[5,6a]C[5])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|C<4>}	H(N[5]C[5,6a]C[5])	118.4760	0.000	1	118.4760	0.000	1	117.0701	7.128	20	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:P[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	H(N[5]C[5,6a]P[5])	N[5](C[5,6a]C[5,6a]C[6a])(P[5]C[6a]N[5]Se)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|Se<1>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]P[5])	118.6490	0.000	1	118.6490	0.000	1	119.7175	2.283	2	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	3:4:1:	3:3:3:	3:	C[5,6a]-3:P[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]SS)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H)	H(N[5]C[5,6a]P[5])	N[5](C[5,6a]C[5,6a]C[6a])(P[5]N[5]SS)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H){2|C<3>,2|H<1>,2|S<1>}	H(N[5]C[5,6a]P[5])	120.7860	0.000	1	120.7860	0.000	1	119.7175	2.283	2	117.3463	7.697	49	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[3x5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[3x5]C[3x5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	H(N[5]C[5,6a]C[3x5])	N[5](C[3x5]C[3x5]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|S<4>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,6a]C[3x5])	115.3090	0.000	1	115.3090	0.000	1	115.3090	0.000	1	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	H(N[5]C[5,5,6]C[5,6a])	N[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(N[5]C[5,5,6]C[5,6a])	115.1710	0.000	1	115.1710	0.000	1	118.1386	3.513	5	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	H(N[5]C[5,5,6]C[5,6a])	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(N[5]C[5,5,6]C[5,6a])	119.9240	0.000	1	119.9240	0.000	1	118.1386	3.513	5	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	H(N[5]C[5,5,6]C[5,6a])	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|H<1>,5|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(N[5]C[5,5,6]C[5,6a])	117.7200	0.000	1	117.7200	0.000	1	118.1386	3.513	5	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	H(N[5]C[5,5,6]C[5,6a])	N[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(N[5]C[5,5,6]C[5,6a])	119.4880	0.000	1	119.4880	0.000	1	118.1386	3.513	5	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:	N[5](C[5,5,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	H(N[5]C[5,5,6]C[5,6a])	N[5](C[5,5,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(N[5]C[5,5,6]C[5,6a])	118.3900	0.000	1	118.3900	0.000	1	118.1386	3.513	5	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[3x5]N[3,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[3x5]N[3,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	118.5100	0.000	1	118.5100	0.000	1	118.0613	9.412	17	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[3x5]N[5,5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	121.3420	0.000	1	121.3420	0.000	1	118.0613	9.412	17	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	122.7940	0.000	1	122.7940	0.000	1	118.0613	9.412	17	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	122.1070	0.000	1	122.1070	0.000	1	118.0613	9.412	17	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	117.9280	0.000	1	118.2445	0.200	2	118.0613	9.412	17	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(N[5]C[5,6a]C[5,5])	118.5610	0.000	1	118.2445	0.200	2	118.0613	9.412	17	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[5,5]P[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5,5])	118.3510	0.000	1	118.3510	0.000	1	118.0613	9.412	17	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[5,6]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[5,6]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5,5])	125.0440	0.000	1	125.0440	0.000	1	118.0613	9.412	17	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	H(N[5]C[5,6a]C[5,5])	116.3917	0.803	3	116.3917	0.645	3	118.0613	9.412	17	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|O<2>,4|C<3>}	H(N[5]C[5,6a]C[5,5])	115.9930	0.833	2	115.9930	0.694	2	118.0613	9.412	17	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(N[5]C[5,6a]C[5,5])	115.4440	0.000	1	115.4440	0.000	1	118.0613	9.412	17	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|Cl<1>,1|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5,5])	115.8845	0.527	2	115.8845	0.278	2	118.0613	9.412	17	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(N[5]C[5,6a]C[5,5])	N[5](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,3|C<3>}	H(N[5]C[5,6a]C[5,5])	114.0310	0.000	1	114.0310	0.000	1	118.0613	9.412	17	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[5,5,6,6]C[6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[5,5,6,6]C[6]C)(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|H<1>,3|C<4>}	H(N[5]C[5,6a]C[5,6])	118.3580	0.000	1	118.3580	0.000	1	116.0191	7.148	10	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,6])	114.9550	0.000	1	114.4422	0.937	5	116.0191	7.148	10	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,6])	115.5940	0.000	1	114.4422	0.937	5	116.0191	7.148	10	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,6])	114.3205	0.329	2	114.4422	0.937	5	116.0191	7.148	10	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,6])	113.0210	0.000	1	114.4422	0.937	5	116.0191	7.148	10	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(N[5]C[5,6a]C[5,6])	120.3605	0.108	2	120.3605	0.012	2	116.0191	7.148	10	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[5]C[5,6a]C[5,6])	114.6180	0.000	1	114.6180	0.000	1	116.0191	7.148	10	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	951	0:SP3_SP-NON_SP2	N[5]	C[5,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H)	H(N[5]C[5,6a]C[5,6])	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	H(N[5]C[5,6a]C[5,6])	114.2830	0.000	1	114.2830	0.000	1	116.0191	7.148	10	117.3708	8.205	33	117.5876	10.066	92	117.5876	10.066	92
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,5a]	S	3:4:4:	3:2:3:	3:3:1:1:	C[5,5a]-3:C[5]-4:S-4:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]CH)(SC[6a]OO)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S)	S(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	S(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(O)2	124.0410	0.000	1	124.0410	0.000	1	124.0410	0.000	1	124.0410	0.000	1	122.4025	10.282	4	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,5a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,5a]-3:C[5,5]-4:S-4:	C[5,5a]-3:N[5a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(N[5]C[5,5]S)	S(N[5]C[5,5a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(N[5]C[5,5]S){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	S(N[5]C[5,5a]C[5,5])(C[6a]C[6a]2)(O)2	122.0370	0.000	1	122.0370	0.000	1	122.0370	0.000	1	121.8563	13.633	3	122.4025	10.282	4	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,5a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,5a]-3:C[5,5]-4:S-4:	C[5a,6a]-3:C[5,5a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]O[5a]C[5])(N[5]C[5,5]S)	S(N[5]C[5,5a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]O[5a]C[5])(N[5]C[5,5]S){2|H<1>,5|C<3>}	S(N[5]C[5,5a]C[5,5])(C[6a]C[6a]2)(O)2	125.4550	0.000	1	125.4550	0.000	1	125.4550	0.000	1	121.8563	13.633	3	122.4025	10.282	4	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,5a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,5a]-3:C[5]-4:S-4:	C[5,5a]-3:N[5a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(N[5]C[5]S)	S(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(N[5]C[5]S){3|C<3>,3|H<1>}	S(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(O)2	118.0770	0.000	1	118.0770	0.000	1	118.0770	0.000	1	121.8563	13.633	3	122.4025	10.282	4	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5,6])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5,6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,3|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	123.2100	0.000	1	123.2100	0.000	1	123.2100	0.000	1	126.6089	6.824	19	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){2|C<3>,2|C<4>,2|H<1>}	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	127.3020	0.000	1	127.3020	0.000	1	127.3020	0.000	1	126.6089	6.824	19	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	127.8588	0.860	5	127.8588	0.740	5	126.7681	6.898	17	126.6089	6.824	19	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	128.5340	0.000	1	128.5340	0.000	1	126.7681	6.898	17	126.6089	6.824	19	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	123.5030	0.000	1	120.7655	14.988	2	126.7681	6.898	17	126.6089	6.824	19	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|C<3>,3|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	118.0280	0.000	1	120.7655	14.988	2	126.7681	6.898	17	126.6089	6.824	19	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	127.5970	0.000	1	127.7922	0.855	6	126.7681	6.898	17	126.6089	6.824	19	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	128.0417	0.949	3	127.7922	0.855	6	126.7681	6.898	17	126.6089	6.824	19	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	128.5390	0.000	1	127.7922	0.855	6	126.7681	6.898	17	126.6089	6.824	19	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SC[6a]OO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	126.4920	0.000	1	127.7922	0.855	6	126.7681	6.898	17	126.6089	6.824	19	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	126.5790	0.000	1	126.5790	0.000	1	126.7681	6.898	17	126.6089	6.824	19	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]N)(SC[6a]OO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<2>,2|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	126.1830	0.078	2	126.1830	0.006	2	126.7681	6.898	17	126.6089	6.824	19	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:4:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SCOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(CC[5,5,6]HH)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(SCOO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S(N[5]C[5,6a]C[5])(CC[5,5,6]HH)(O)2	127.9560	0.000	2	127.9560	0.000	2	127.9560	0.000	2	127.9560	0.000	2	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:2:3:	3:4:1:1:	C[5,6a]-3:C[5]-4:S-4:	N[5,6a]-3:N[6a]-2:N[5]-3:	N[5]-3:C-4:O-1:O-1:	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(SCOO)	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(CH3)(O)2	N[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(SCOO){3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(N[5]C[5]S){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	S(N[5]C[5,6a]C[5])(CH3)(O)2	124.9130	0.945	2	124.9130	0.892	2	124.9130	0.892	2	124.9130	0.892	2	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[3,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[3,5]S)	S(N[5]C[5,6a]C[3,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]2C[5])(SC[6a]OO){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[3,5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	S(N[5]C[5,6a]C[3,5])(C[6a]C[6a]2)(O)2	117.9320	0.000	1	117.9320	0.000	1	117.9320	0.000	1	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[4,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a,6a]F)(N[5]C[4,5]S)	S(N[5]C[5,6a]C[4,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a,6a]F)(N[5]C[4,5]S){1|F<1>,1|H<1>,2|C<3>,3|C<4>}	S(N[5]C[5,6a]C[4,5])(C[6a]C[6a]2)(O)2	127.5670	0.000	1	127.5670	0.000	1	126.8390	1.060	2	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[4,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]S)	S(N[5]C[5,6a]C[4,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]C[4]F)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]S){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	S(N[5]C[5,6a]C[4,5])(C[6a]C[6a]2)(O)2	126.1110	0.000	1	126.1110	0.000	1	126.8390	1.060	2	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]O[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]O[5]H)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	119.8790	0.000	1	119.8790	0.000	1	122.6513	9.020	10	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	116.9710	0.000	1	116.9710	0.000	1	122.6513	9.020	10	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,3|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	123.2620	0.000	1	121.8443	2.051	3	122.6513	9.020	10	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	120.3980	0.000	1	121.8443	2.051	3	122.6513	9.020	10	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	121.8730	0.000	1	121.8443	2.051	3	122.6513	9.020	10	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	122.1670	0.000	1	122.1670	0.000	1	122.6513	9.020	10	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	125.1417	0.783	3	125.1417	0.614	3	122.6513	9.020	10	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]S){1|O<1>,2|H<1>,3|C<3>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	126.5380	0.000	1	126.5380	0.000	1	122.6513	9.020	10	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	120.8700	0.000	1	122.3830	4.578	2	123.9575	7.203	4	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	123.8960	0.000	1	122.3830	4.578	2	123.9575	7.203	4	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]N)(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	123.6460	0.000	1	123.6460	0.000	1	123.9575	7.203	4	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	127.4180	0.000	1	127.4180	0.000	1	123.9575	7.203	4	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	117.8370	0.000	1	117.8370	0.000	1	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,3|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	119.0690	0.000	1	119.0690	0.000	1	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	128.5510	0.000	2	128.5510	0.000	2	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	125.2190	0.000	1	125.2190	0.000	1	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	125.7000	0.000	1	125.7000	0.000	1	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|B<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	124.6900	0.000	1	121.5078	9.855	16	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,3|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	125.0610	0.000	1	121.5078	9.855	16	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,2|C<4>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	122.1965	0.926	2	121.5078	9.855	16	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	121.9200	4.238	4	121.5078	9.855	16	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	116.6410	0.000	1	121.5078	9.855	16	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	122.9060	0.000	1	121.5078	9.855	16	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	123.7920	0.000	1	121.5078	9.855	16	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	118.1890	1.387	3	121.5078	9.855	16	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	122.2240	0.000	1	121.5078	9.855	16	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	122.1710	0.000	1	121.5078	9.855	16	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	123.1060	0.000	1	122.6465	0.422	2	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(SC[6a]OO){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	122.1870	0.000	1	122.6465	0.422	2	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	124.9600	0.000	1	123.2357	2.810	3	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<2>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	123.1350	0.000	1	123.2357	2.810	3	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|S<2>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	121.6120	0.000	1	123.2357	2.810	3	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO){1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<4>,1|O<2>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	126.7730	0.143	2	126.7730	0.020	2	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	128.7020	0.000	1	128.7020	0.000	1	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(SC[6a]OO){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S){1|S<4>,2|C<3>,3|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	124.2835	3.331	2	124.2835	11.097	2	122.9646	12.297	32	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){1|C<4>,3|C<3>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	117.2760	0.000	1	117.2760	0.000	1	117.0683	3.779	4	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	119.4090	0.000	1	116.9990	5.640	3	117.0683	3.779	4	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){1|C<4>,3|C<3>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	116.9270	0.000	1	116.9990	5.640	3	117.0683	3.779	4	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	114.6610	0.000	1	116.9990	5.640	3	117.0683	3.779	4	122.5867	13.234	53	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(CH3)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	S(N[5]C[5,6a]C[5,5])(CH3)(O)2	126.0915	0.543	4	126.0915	0.295	4	126.0915	0.295	4	125.2480	4.886	7	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:4:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(CF3)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5])(CF3)(O)2	127.9270	0.000	1	127.9270	0.000	1	124.1233	10.896	3	125.2480	4.886	7	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:4:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(CH3)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SCOO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,6|H<1>}	S(N[5]C[5,6a]C[5])(CH3)(O)2	122.2215	0.299	2	122.2215	0.089	2	124.1233	10.896	3	125.2480	4.886	7	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[3,5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[3,5,6]C[3,5,5,6]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[3,5,5,6]C[6a])(N[5]C[3,5,6]S)(C[6a]C[6a]H)	S(N[5]C[3,5,6]C[5,6a])(C[6a]C[6a]2)(O)2	N[5](C[3,5,6]C[3,5,5,6]C[3,5]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[3,5,5,6]C[6a])(N[5]C[3,5,6]S)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	S(N[5]C[3,5,6]C[5,6a])(C[6a]C[6a]2)(O)2	122.4850	0.000	1	122.4850	0.000	1	122.4850	0.000	1	122.9511	6.784	15	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[3,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[3,5]C[3,5]C[6a]N[3])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]S)	S(N[5]C[5,6a]C[3,5])(C[6a]C[6a]2)(O)2	N[5](C[3,5]C[3,5]C[6a]N[3])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	S(N[5]C[5,6a]C[3,5])(C[6a]C[6a]2)(O)2	121.5700	0.000	1	121.5700	0.000	1	121.5700	0.000	1	122.9511	6.784	15	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[3x5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	S(N[5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O)2	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	S(N[5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O)2	121.7860	0.000	1	121.7860	0.000	1	122.6063	2.483	4	122.9511	6.784	15	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[3x5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	S(N[5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O)2	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	S(N[5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O)2	121.4470	0.000	1	121.8625	0.345	2	122.6063	2.483	4	122.9511	6.784	15	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[3x5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	S(N[5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O)2	N[5](C[3x5]C[3x5]C[5,6]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	S(N[5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O)2	122.2780	0.000	1	121.8625	0.345	2	122.6063	2.483	4	122.9511	6.784	15	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[3x5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[3x5]C[5,5]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	S(N[5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O)2	N[5](C[3x5]C[5,5]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|O<2>,1|S<4>,6|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	S(N[5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O)2	124.9140	0.000	1	124.9140	0.000	1	122.6063	2.483	4	122.9511	6.784	15	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	S(N[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(O)2	N[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	S(N[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(O)2	127.5610	0.000	1	127.5610	0.000	1	126.2320	3.532	2	122.9511	6.784	15	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	S(N[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(O)2	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	S(N[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(O)2	124.9030	0.000	1	124.9030	0.000	1	126.2320	3.532	2	122.9511	6.784	15	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	121.6680	0.000	1	121.6680	0.000	1	121.5865	9.748	4	122.9511	6.784	15	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	121.2360	0.000	1	121.2360	0.000	1	121.5865	9.748	4	122.9511	6.784	15	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	125.5340	0.000	1	125.5340	0.000	1	121.5865	9.748	4	122.9511	6.784	15	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	117.9080	0.000	1	117.9080	0.000	1	121.5865	9.748	4	122.9511	6.784	15	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[5](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	126.9150	0.000	1	126.9150	0.000	1	123.6587	10.838	3	122.9511	6.784	15	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP2_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,3|C<3>,3|H<1>}	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	122.0305	2.402	2	122.0305	5.770	2	123.6587	10.838	3	122.9511	6.784	15	123.7694	12.645	98	123.7158	12.521	102
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,5a]	S	3:4:4:	3:2:3:	3:3:1:1:	C[5,5a]-3:C[5]-4:S-4:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO)	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S)	S(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(N[5]C[5]S){3|C<3>,3|H<1>}	S(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(O)2	121.8120	0.000	1	121.8120	0.000	1	121.8120	0.000	1	121.8120	0.000	1	120.1525	2.521	4	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,5a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,5a]-3:C[5]-4:S-4:	N[5,5a]-3:C[5a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(SC[6a]OO)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(N[5]C[5]S)	S(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(N[5]C[5]S){3|C<3>,3|H<1>}	S(N[5]C[5,5a]C[5])(C[6a]C[6a]2)(O)2	119.5993	1.395	3	119.5993	1.946	3	119.5993	1.946	3	119.5993	1.946	3	120.1525	2.521	4	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	112.7010	0.000	1	118.7608	16.787	4	118.7608	16.787	4	118.7608	16.787	4	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|H<1>,3|C<3>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	120.8330	1.177	2	118.7608	16.787	4	118.7608	16.787	4	118.7608	16.787	4	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SC[6a]OO){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|N<3>,2|C<3>,3|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	120.6760	0.000	1	118.7608	16.787	4	118.7608	16.787	4	118.7608	16.787	4	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:3:4:	3:3:3:	3:4:1:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SCOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(CH3)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(SCOO){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|H<1>,3|C<3>}	S(N[5]C[5,6a]C[5])(CH3)(O)2	115.3090	0.000	1	115.3090	0.000	1	115.3090	0.000	1	115.3090	0.000	1	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5,6]-4:S-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	S(N[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(SC[6a]OO){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	S(N[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(O)2	122.8350	0.000	1	122.8350	0.000	1	122.8350	0.000	1	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	115.7570	4.335	2	119.1358	26.425	4	120.4144	13.760	8	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){1|H<1>,1|N<3>,1|N<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	119.7920	0.000	1	119.1358	26.425	4	120.4144	13.760	8	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SC[6a]OO){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){2|C<3>,2|C<4>,2|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	125.2370	0.000	1	119.1358	26.425	4	120.4144	13.760	8	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO){1|Br<1>,1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	121.3680	0.000	1	121.1830	0.068	2	120.4144	13.760	8	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(SC[6a]OO){1|H<1>,1|N<3>,1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	120.9980	0.000	1	121.1830	0.068	2	120.4144	13.760	8	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	122.2030	1.690	2	122.2030	2.856	2	120.4144	13.760	8	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	122.1000	0.000	1	121.5940	0.512	2	122.3150	4.363	10	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,2|C<3>,3|H<1>}	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	121.0880	0.000	1	121.5940	0.512	2	122.3150	4.363	10	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	119.1110	0.000	1	122.4006	6.159	7	122.3150	4.363	10	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	120.3320	0.000	1	122.4006	6.159	7	122.3150	4.363	10	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,2|C<4>,4|H<1>}	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	123.3125	2.280	4	122.4006	6.159	7	122.3150	4.363	10	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	124.1110	0.000	1	122.4006	6.159	7	122.3150	4.363	10	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(SC[6a]OO){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	123.1580	0.000	1	123.1580	0.000	1	122.3150	4.363	10	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	S(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)2	123.0340	0.294	2	123.0340	0.087	2	122.1016	0.890	5	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S)	S(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S){1|C<3>,6|H<1>}	S(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)2	121.3100	0.000	1	121.1795	0.034	2	122.1016	0.890	5	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S)	S(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S){1|C<3>,6|H<1>}	S(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)2	121.0490	0.000	1	121.1795	0.034	2	122.1016	0.890	5	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N[5]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<2>,5|H<1>}	S(C[6a]C[6a]N[6a])(N[5]C[5,6a]C[5])(O)2	122.0810	0.000	1	122.0810	0.000	1	122.1016	0.890	5	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5]H)(SC[6a]OO){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	118.9690	0.000	1	118.9690	0.000	1	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	122.4830	0.000	1	123.3810	1.613	2	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,2|C<4>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	124.2790	0.000	1	123.3810	1.613	2	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<2>,2|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	124.0100	0.000	1	121.6620	4.896	8	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	120.2417	2.019	3	121.6620	4.896	8	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	120.3040	0.235	2	121.6620	4.896	8	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	124.1920	0.000	1	121.6620	4.896	8	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	123.7610	0.000	1	121.6620	4.896	8	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	123.4720	0.000	1	123.4720	0.000	1	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	122.5420	0.000	1	122.5420	0.000	1	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S){4|H<1>,5|C<3>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	117.9080	0.000	1	117.9080	0.000	1	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<2>,2|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	120.8640	0.000	1	122.1644	7.030	5	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	120.5170	0.000	1	122.1644	7.030	5	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<2>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	125.3600	0.000	1	122.1644	7.030	5	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	124.6360	0.000	1	122.1644	7.030	5	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	119.4450	0.000	1	122.1644	7.030	5	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	124.2930	0.000	1	124.2930	0.000	1	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	121.1930	0.979	3	121.1930	0.959	3	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CH)(SC[6a]OO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,3|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	120.1490	0.000	1	120.1490	0.000	1	121.7413	4.705	24	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){1|C<4>,3|C<3>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	116.8200	0.000	1	116.8200	0.000	1	116.3980	0.180	3	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	116.4030	0.000	1	116.4030	0.000	1	116.3980	0.180	3	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[6a,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(SC[6a]OO){2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(N[5]C[5]S){4|C<3>,5|H<1>}	S(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)2	115.9710	0.000	1	115.9710	0.000	1	116.3980	0.180	3	121.3881	6.925	51	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SCOO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(CH3)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(SCOO){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5,5])(CH3)(O)2	124.5070	0.000	1	124.5070	0.000	1	123.6120	3.564	3	123.2527	2.892	4	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(CH3)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(SCOO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	S(N[5]C[5,6a]C[5,5])(CH3)(O)2	123.1645	2.435	2	123.1645	5.927	2	123.6120	3.564	3	123.2527	2.892	4	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	3:4:4:	3:3:3:	3:4:1:1:	C[5,6a]-3:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(SCOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	S(N[5]C[5,6a]C[5])(CH3)(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(SCOO){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	S(N[5]C[5,6a]C[5])(CH3)(O)2	122.1750	0.000	1	122.1750	0.000	1	122.1750	0.000	1	123.2527	2.892	4	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[3,5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H)	S(N[5]C[3,5,5]C[5,6a])(C[6a]C[6a]2)(O)2	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	S(N[5]C[3,5,5]C[5,6a])(C[6a]C[6a]2)(O)2	121.0740	0.000	2	121.0740	0.000	2	121.0740	0.000	2	121.5111	4.255	10	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[3x5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[3x5]C[5,5]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	S(N[5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O)2	N[5](C[3x5]C[5,5]N[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|O<2>,1|S<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	S(N[5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O)2	125.3410	0.000	1	125.3410	0.000	1	125.3410	0.000	1	121.5111	4.255	10	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	123.0050	0.000	1	123.0050	0.000	1	121.5145	2.379	4	121.5111	4.255	10	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){2|C<3>,2|C<4>,3|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	119.6490	0.000	1	119.6490	0.000	1	121.5145	2.379	4	121.5111	4.255	10	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,4|H<1>}	S(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)2	121.7020	1.168	2	121.7020	1.365	2	121.5145	2.379	4	121.5111	4.255	10	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,6,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]S)(C[6a]C[6a]H)	S(N[5]C[5,6,6]C[5,6a])(C[6a]C[6a]2)(O)2	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	S(N[5]C[5,6,6]C[5,6a])(C[6a]C[6a]2)(O)2	123.4840	0.000	1	123.4840	0.000	1	123.4840	0.000	1	121.5111	4.255	10	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[5](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){3|C<3>,3|H<1>}	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	118.9890	0.000	1	118.9890	0.000	1	119.0400	0.005	2	121.5111	4.255	10	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:O-1:O-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5,6]S){1|N<3>,3|C<3>,3|H<1>}	S(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(O)2	119.0910	0.000	1	119.0910	0.000	1	119.0400	0.005	2	121.5111	4.255	10	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:4:1:1:	C[3,5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5]-3:C-4:O-1:O-1:	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SCOO)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H)	S(N[5]C[3,5,5]C[5,6a])(CH3)(O)2	N[5](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])(SCOO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	S(N[5]C[3,5,5]C[5,6a])(CH3)(O)2	119.4540	0.000	1	119.4540	0.000	1	119.4540	0.000	1	120.7940	3.591	2	121.2619	7.399	72	121.2035	7.168	76
542	727	952	0:SP3_SP2_SP3	N[5]	C[5,6a]	S	4:3:4:	3:3:3:	3:4:1:1:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	N[5]-3:C-4:O-1:O-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(SCOO)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	S(N[5]C[5,6a]C[5,6])(CH3)(O)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(SCOO){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	S(N[5]C[5,6a]C[5,6])(CH3)(O)2	122.1340	0.000	1	122.1340	0.000	1	122.1340	0.000	1	120.7940	3.591	2	121.2619	7.399	72	121.2035	7.168	76