762	643	863	0:SP2_SP2_SP2	C[6,6]	C[6,6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6,6a]-3:C[4,6,6]-4:O-1:	C[6,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2C[6a])(O)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H)	O(C[6,6]C[6,6,6a]C[4,6,6])	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2C[6a])(O){1|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[6,6,6a]C[4,6,6])	122.2600	0.000	1	122.2600	0.000	1	122.9255	0.886	2	122.9255	0.886	2	122.9255	0.886	2	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6,6]	C[6,6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6,6a]-3:C[4,6,6]-4:O-1:	C[6,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(O)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H)	O(C[6,6]C[6,6,6a]C[4,6,6])	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(O){1|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6,6a]C[4,6,6])	123.5910	0.000	1	123.5910	0.000	1	122.9255	0.886	2	122.9255	0.886	2	122.9255	0.886	2	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:2:3:	3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6])(O){1|C<3>,1|O<1>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]O){1|C<2>,2|C<3>}	O(C[6]C[6,6a]N[6])	125.0980	0.000	1	125.0980	0.000	1	125.0980	0.000	1	125.0980	0.000	1	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	123.0005	0.729	2	123.0005	0.531	2	123.0005	0.531	2	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]N[6])	123.5920	0.000	1	123.5920	0.000	1	122.5884	0.573	11	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.7500	0.000	1	122.7500	0.000	1	122.5884	0.573	11	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	122.5280	0.000	3	122.2736	0.296	8	122.5884	0.573	11	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.9860	1.305	2	122.2736	0.296	8	122.5884	0.573	11	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.2110	0.000	3	122.2736	0.296	8	122.5884	0.573	11	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]N[6])	123.9410	0.000	1	123.9410	0.000	1	122.5884	0.573	11	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	125.5340	0.000	1	125.5340	0.000	1	125.5340	0.000	1	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(O[6]C[5,6])(O){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]O[6])	126.5430	0.000	1	126.5430	0.000	1	127.4263	0.631	3	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]O[6])	127.8680	0.303	2	127.8680	0.092	2	127.4263	0.631	3	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[6,6a]O[6])	123.1165	1.068	2	122.0345	1.947	4	122.0345	1.947	4	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]O)(C[6]O[6]O){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]O[6])	120.9525	0.127	2	122.0345	1.947	4	122.0345	1.947	4	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]O[6])	123.2380	0.672	2	123.2380	0.451	2	125.5373	1.845	29	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]Br)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|Br<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]Br)(C[6]O[6]O){1|Br<1>,4|C<3>}	O(C[6]C[6,6a]O[6])	127.5720	0.010	2	127.5720	0.000	2	125.5373	1.845	29	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,4|C<3>}	O(C[6]C[6,6a]O[6])	127.3023	0.598	3	127.3023	0.358	3	125.5373	1.845	29	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,4|C<3>}	O(C[6]C[6,6a]O[6])	125.9410	0.253	4	125.9410	0.064	4	125.5373	1.845	29	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|O<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C)(C[6]O[6]O){5|C<3>}	O(C[6]C[6,6a]O[6])	125.4790	0.448	2	125.4790	0.201	2	125.5373	1.845	29	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,4|C<3>}	O(C[6]C[6,6a]O[6])	125.6388	0.780	12	125.1459	1.253	16	125.5373	1.845	29	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]O[6])	123.6790	0.000	1	125.1459	1.253	16	125.5373	1.845	29	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]O[6])	123.8260	0.529	2	125.1459	1.253	16	125.5373	1.845	29	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|O<2>}	O(C[6]C[6,6a]O[6])	123.3370	0.000	1	125.1459	1.253	16	125.5373	1.845	29	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]2)(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]2)(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]O[6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]O[6])	127.1435	0.302	2	127.1435	0.091	2	126.7333	0.550	3	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]2)(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]2)(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]O[6]O){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]O[6])	125.9130	0.000	1	125.9130	0.000	1	126.7333	0.550	3	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3,6])(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3,6])(O){1|N<3>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]N)(C[6]O[6]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]O[6])	125.1085	0.026	2	125.1085	0.001	2	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O)	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	124.1310	0.000	1	124.1310	0.000	1	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	126.3305	0.194	2	126.3305	0.038	2	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(O){1|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	126.1560	0.000	1	126.1560	0.000	1	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,3x6])(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,3x6])(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]O)(C[6]O[6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]O[6])	122.7120	0.000	1	122.7120	0.000	1	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6,6])(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6,6])(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	123.0150	0.000	1	123.0150	0.000	1	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6,6a]O[6])	122.9890	0.000	1	122.9890	0.000	1	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]O[6])	123.3880	0.000	1	123.2320	0.049	2	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]O[6])	123.0760	0.000	1	123.2320	0.049	2	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|Br<1>,1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]O[6])	125.6910	0.000	1	125.6910	0.000	1	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]O[6])	124.5500	0.000	1	124.5797	0.059	3	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]O[6])	124.5945	0.342	2	124.5797	0.059	3	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]O[6])	126.3420	0.000	1	125.1005	3.083	2	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]O[6])	123.8590	0.000	1	125.1005	3.083	2	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]O[6])	123.4770	0.000	1	123.9670	0.559	5	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]O[6])	124.5905	0.599	2	123.9670	0.559	5	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	123.5885	0.756	2	123.9670	0.559	5	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	O(C[6]C[6,6a]O[6])	124.1843	0.554	3	124.2058	0.129	6	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]O[6])	124.2710	0.000	1	124.2058	0.129	6	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	124.0900	0.000	1	124.2058	0.129	6	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]O[6])	124.3210	0.000	1	124.2058	0.129	6	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]O[6])	123.5775	0.050	2	123.5740	0.001	3	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]O[6])	123.5670	0.000	1	123.5740	0.001	3	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]O[6])	123.5280	0.000	1	123.5280	0.000	1	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	127.2330	0.014	2	127.2330	0.000	2	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	125.1670	0.000	1	125.1670	0.000	1	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	126.4385	0.465	2	126.1330	0.388	3	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]O[6])	125.5220	0.000	1	126.1330	0.388	3	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	123.4640	0.000	1	123.0375	0.097	4	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]O[6])	122.8530	0.198	2	123.0375	0.097	4	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	122.9800	0.000	1	123.0375	0.097	4	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]C)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6a]O[6])	126.1978	0.441	9	126.1978	0.194	9	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	O(C[6]C[6,6a]O[6])	122.4570	0.000	1	122.4570	0.000	1	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]O[6])	125.4850	0.699	5	125.4850	0.489	5	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]O[6]O){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]O[6])	123.3990	0.334	2	123.3990	0.111	2	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]O[6])	122.9350	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]O[6])	123.9030	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6a]O[6])	124.3890	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6,6a]O[6])	124.8400	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]O[6])	124.6480	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]O[6])	124.1180	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]O[6])	124.1420	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]O[6])	124.1804	0.424	5	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6]C[6,6a]O[6])	124.4755	0.556	2	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6a]O[6])	123.9560	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	123.9760	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){2|H<1>,3|C<3>}	O(C[6]C[6,6a]O[6])	126.9232	0.112	4	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]O[6])	123.0200	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]O[6])	124.0490	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]O[6])	123.2270	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]O[6])	124.2320	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]O[6])	125.6080	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	O(C[6]C[6,6a]O[6])	124.3353	0.053	3	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]O[6])	124.0650	0.174	4	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]O[6])	123.4130	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]O[6])	123.6405	0.175	2	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]O[6])	123.8730	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]O[6])	123.5820	0.000	1	124.3785	1.069	37	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]O[6])	123.7370	0.914	10	123.3877	0.499	35	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]O[6])	123.3779	0.534	16	123.3877	0.499	35	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	123.6280	0.016	2	123.3877	0.499	35	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]O[6])	122.9700	0.406	2	123.3877	0.499	35	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]O[6])	122.6535	0.671	2	123.3877	0.499	35	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[6,6a]O[6])	122.5415	0.562	2	123.3877	0.499	35	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|H<1>,4|C<4>}	O(C[6]C[6,6a]O[6])	123.5670	0.000	1	123.3877	0.499	35	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]O[6]O){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6a]O[6])	126.4490	0.448	2	126.4490	0.201	2	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]O[6])	125.2160	0.000	1	125.4477	0.124	9	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]O[6])	125.5666	0.283	7	125.4477	0.124	9	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]O[6])	124.8470	0.000	1	125.4477	0.124	9	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]B[5])(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|B<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]B[5])(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]O[6])	126.0880	0.000	1	126.0880	0.000	1	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6a]O[6])	125.6240	0.000	1	125.6240	0.000	1	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	125.4035	0.129	2	125.4035	0.017	2	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	123.1370	0.000	1	123.1370	0.000	1	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]O[6])	124.1583	0.248	3	124.1583	0.062	3	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|H<1>,1|P<3>,2|C<3>}	O(C[6]C[6,6a]O[6])	125.5230	0.000	1	125.5230	0.000	1	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O){1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|P<3>,2|C<4>}	O(C[6]C[6,6a]O[6])	124.8350	0.000	1	125.8170	0.647	5	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O){1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|P<3>,2|H<1>}	O(C[6]C[6,6a]O[6])	125.4550	0.000	1	125.8170	0.647	5	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|P<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	126.9990	0.000	1	125.8170	0.647	5	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(O){1|Rh<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|P<4>,2|H<1>}	O(C[6]C[6,6a]O[6])	125.8980	0.288	2	125.8170	0.647	5	124.4563	1.581	156	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]P[6])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]P[6])(O){1|Cl<1>,1|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]O[6]O){1|P<3>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]O[6])	128.0630	0.000	1	128.0630	0.000	1	128.0630	0.000	1	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]O[6]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]O[6])	125.3285	0.350	2	125.3285	0.123	2	126.8203	6.738	3	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:O-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]O[6]O)	O(C[6]C[6,6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(O){1|N<3>,4|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]O[6]O){1|Ni<4>,6|C<3>}	O(C[6]C[6,6a]O[6])	129.8040	0.000	1	129.8040	0.000	1	126.8203	6.738	3	124.5770	2.332	213	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6,6a])(C[6]C[5,6]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5,6]N[5])(O){2|C<3>,3|N<2>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6,6a])(C[6]C[5,6]O){1|N<2>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6])	121.7845	0.257	2	121.7845	0.066	2	121.7845	0.066	2	121.3779	0.837	21	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.5390	0.000	1	121.5390	0.000	1	121.4459	0.123	7	121.3779	0.837	21	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.0065	0.066	2	121.0065	0.004	2	121.4459	0.123	7	121.3779	0.837	21	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])2(O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]N[6a])2(O){2|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|N<2>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.6423	0.249	4	121.6423	0.062	4	121.4459	0.123	7	121.3779	0.837	21	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]N[6a])(O)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]N[6a])(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]2)	118.8210	0.000	1	118.8210	0.000	1	118.8210	0.000	1	121.3779	0.837	21	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5]C[6])(O){1|H<1>,2|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	122.0420	0.000	1	122.0420	0.000	1	121.6187	0.912	9	121.3779	0.837	21	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]O)(O){4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a])(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	122.5010	0.000	1	122.5010	0.000	1	121.6187	0.912	9	121.3779	0.837	21	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O){1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.2553	0.105	3	121.2553	0.011	3	121.6187	0.912	9	121.3779	0.837	21	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|Cl<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	119.9780	0.000	1	121.5165	4.734	2	121.6187	0.912	9	121.3779	0.837	21	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.0550	0.000	1	121.5165	4.734	2	121.6187	0.912	9	121.3779	0.837	21	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]I)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]I)(O){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	120.8500	0.000	1	120.8500	0.000	1	121.6187	0.912	9	121.3779	0.837	21	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]O)(O){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){1|O<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]C[6])	122.3760	0.000	1	122.3760	0.000	1	121.6187	0.912	9	121.3779	0.837	21	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:2:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]C[3,5,6]C[6a])(N[6a]C[6a,6a])(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[5,6]H)(O){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[3,5,6]C[6a])(N[6a]C[6a,6a])(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]N[6])	121.5630	0.000	1	121.5630	0.000	1	121.5630	0.000	1	121.3779	0.837	21	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:2:3:	3:	C[6,6a]-3:N[6]-3:O-1:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(O)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]N[6])	120.2930	0.000	1	120.2930	0.000	1	120.2930	0.000	1	121.3779	0.837	21	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]N[6a])(O){6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	121.8060	0.000	1	121.8060	0.000	1	121.7870	0.080	3	120.4603	1.749	13	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6,6a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(O){1|N<3>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(N[6a]C[6,6a]){1|N<2>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	121.7775	0.398	2	121.7775	0.158	2	121.7870	0.080	3	120.4603	1.749	13	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:O[6a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]O[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(O[6a]C[6a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]O[6a])(O){5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(O[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|O<1>}	O(C[6]C[5a,6]C[6,6a])	121.8660	0.000	1	121.8660	0.000	1	121.8660	0.000	1	120.4603	1.749	13	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:N[6a]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a])	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a]){1|N<2>,5|C<3>}	O(C[6]C[6,6a]2)	121.6730	0.000	1	120.1940	4.375	2	120.1940	4.375	2	120.4603	1.749	13	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:N[6a]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a])	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(N[6a]C[6a]){1|H<1>,5|C<3>}	O(C[6]C[6,6a]2)	118.7150	0.000	1	120.1940	4.375	2	120.1940	4.375	2	120.4603	1.749	13	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a])	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|C<4>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	118.8800	0.000	1	120.3133	1.548	3	120.3133	1.548	3	120.4603	1.749	13	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a])	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.0300	0.119	2	120.3133	1.548	3	120.3133	1.548	3	120.4603	1.749	13	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:O[6a]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a])	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a]){2|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	120.1600	0.000	1	120.1600	0.000	1	119.7910	0.272	2	120.4603	1.749	13	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:O[6a]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a])	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a]){1|C<4>,2|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.4220	0.000	1	119.4220	0.000	1	119.7910	0.272	2	120.4603	1.749	13	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:S[6a]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]S[6a])(O)	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[6,6a]O)(S[6a]S[6a])	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]S[6a])(O){1|H<1>,2|S<2>,3|C<3>}	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[6,6a]O)(S[6a]S[6a]){1|O<1>,1|S<2>,2|C<3>}	O(C[6]C[6,6a]2)	118.9235	0.073	2	118.9235	0.005	2	118.9235	0.005	2	120.4603	1.749	13	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[3x6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3x6])	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[3x6])	123.3100	0.000	1	123.3100	0.000	1	122.9725	0.228	2	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[3x6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[3x6])	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[3x6])	122.6350	0.000	1	122.6350	0.000	1	122.9725	0.228	2	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	O(C[6]C[5a,6]C[6,6a])	123.3750	0.000	1	122.9430	0.142	6	122.9430	0.142	6	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5a,6]C[6,6a])	122.8566	0.349	5	122.9430	0.142	6	122.9430	0.142	6	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	123.1855	0.540	2	123.1855	0.291	2	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.2412	0.290	5	122.2412	0.084	5	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	120.8260	0.000	1	121.6246	0.601	20	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	121.0820	0.000	1	121.6246	0.601	20	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	121.3096	0.824	9	121.6246	0.601	20	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){3|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6,6a])	121.4760	0.000	1	121.6246	0.601	20	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.2320	0.000	1	121.6246	0.601	20	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	121.5995	0.769	2	121.6246	0.601	20	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.4233	0.251	3	121.6246	0.601	20	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.3105	0.438	2	121.6246	0.601	20	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.6260	0.000	1	122.6260	0.000	1	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	119.7040	0.000	1	119.7040	0.000	1	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.3850	0.000	1	123.3850	0.000	1	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	121.7567	0.213	4	121.7567	0.045	4	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	122.1330	0.130	2	122.0100	1.103	35	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	121.5910	0.656	3	122.0100	1.103	35	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.9240	0.000	1	122.0100	1.103	35	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|Fe<6>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	120.1240	0.588	5	122.0100	1.103	35	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	122.6880	0.000	1	122.0100	1.103	35	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	123.1231	0.205	8	122.0100	1.103	35	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	121.7791	0.378	8	122.0100	1.103	35	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	122.6960	0.000	1	122.0100	1.103	35	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	121.9162	0.277	5	122.0100	1.103	35	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	122.5850	0.000	1	122.0100	1.103	35	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	122.9150	0.000	1	122.9150	0.000	1	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	O(C[6]C[5a,6]C[6,6a])	122.8720	0.000	1	123.5343	0.428	6	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	123.6668	0.635	5	123.5343	0.428	6	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	123.5780	0.000	1	123.5780	0.000	1	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	122.8160	0.239	2	122.8160	0.057	2	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.2500	0.000	1	121.3837	0.400	4	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	121.0950	0.316	3	121.3837	0.400	4	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	122.7815	0.063	2	122.9490	0.086	3	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.2840	0.000	1	122.9490	0.086	3	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[5a,6]C[6,6a])	121.3140	0.000	1	121.3140	0.000	1	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	123.1040	0.000	1	123.1040	0.000	1	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	121.9680	0.000	1	121.9680	0.000	1	122.1041	1.031	89	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[5a,6]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[5a,6]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	121.4710	0.000	1	121.4710	0.000	1	121.8966	0.443	5	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[5a,6]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[5a,6]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.6075	0.148	2	122.6075	0.022	2	121.8966	0.443	5	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	121.3985	0.251	2	121.3985	0.063	2	121.8966	0.443	5	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[5,5,6,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[5,5,6,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]C[6,6])	121.6510	0.020	2	121.6510	0.000	2	121.2332	0.566	4	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6,6a]N[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[6,6,6a]N[6])(C[6,6a]C[6,6a]C[6a])(O){1|Pt<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	121.5220	0.000	1	121.5220	0.000	1	121.2332	0.566	4	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	120.1090	0.000	1	120.1090	0.000	1	121.2332	0.566	4	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[3x6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[4x6]C[6,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3x6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[4x6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[3x6])	120.6805	0.329	2	120.6805	0.108	2	120.6805	0.108	2	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[4,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[3,4]C[4,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[4,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[3,4]C[4,6])(O){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[4,6])	122.6393	0.292	4	122.6393	0.085	4	122.6393	0.085	4	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	123.2090	0.252	2	123.2090	0.063	2	123.2090	0.063	2	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[4,5]C[5,6])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	120.8750	0.000	1	120.8750	0.000	1	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[5,6])	122.9460	0.000	1	122.9460	0.000	1	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	122.9305	0.001	2	122.9357	0.000	3	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[5,6])(O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6])	122.9460	0.000	1	122.9357	0.000	3	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]O[5])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]O[5])(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6]C[6,6a]C[5,6])	122.8590	0.000	1	122.8590	0.000	1	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	122.2020	0.000	1	120.1185	8.682	2	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6])	118.0350	0.000	1	120.1185	8.682	2	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6])	123.1410	0.000	1	123.1410	0.000	1	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6])	121.2690	0.000	1	121.7448	0.953	19	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6])	121.9620	0.000	1	121.7448	0.953	19	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	121.1600	0.000	1	121.7448	0.953	19	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	122.2310	0.000	1	121.7448	0.953	19	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	121.3420	0.000	1	121.7448	0.953	19	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	119.8440	0.000	1	121.7448	0.953	19	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	122.0383	0.447	3	121.7448	0.953	19	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	121.7510	0.991	3	121.7448	0.953	19	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	121.9964	1.256	7	121.7448	0.953	19	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[5,6])	121.1250	0.000	1	121.1250	0.000	1	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	122.4180	0.000	1	122.4180	0.000	1	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	122.7130	0.501	2	122.7612	0.690	19	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	123.3830	0.000	1	122.7612	0.690	19	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	122.3620	0.000	1	122.7612	0.690	19	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	120.8510	0.000	1	122.7612	0.690	19	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	122.6869	0.558	12	122.7612	0.690	19	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|H<1>,2|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[5,6])	123.4290	0.000	1	122.7612	0.690	19	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(O){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	124.7690	0.000	1	122.7612	0.690	19	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5])(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	123.6163	0.422	3	123.6163	0.178	3	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	O(C[6]C[6,6a]C[5,6])	122.1060	0.000	1	123.8899	1.051	10	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	124.1999	0.847	8	123.8899	1.051	10	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5])(O){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	123.1940	0.000	1	123.8899	1.051	10	122.5447	1.645	62	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[6,6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[5a,6]C[5a,6]O[5a])(O)	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[5a,6]C[5a,6]O[5a])(O){1|C<4>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6a]C[6])(C[6]C[5a,6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	O(C[6]C[5a,6]C[6,6a])	124.0126	0.661	5	124.0126	0.438	5	124.0126	0.438	5	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.3083	0.404	3	122.3083	0.163	3	122.3083	0.163	3	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	121.5600	0.000	1	120.9087	0.287	4	120.9087	0.287	4	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	120.4695	0.002	2	120.9087	0.287	4	120.9087	0.287	4	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	121.1360	0.000	1	120.9087	0.287	4	120.9087	0.287	4	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	124.7400	0.000	1	124.7400	0.000	1	124.7400	0.000	1	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6,6])	118.7745	1.339	2	118.7745	1.792	2	118.7745	1.792	2	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	119.8570	0.000	1	119.8570	0.000	1	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	120.5600	0.000	1	120.5600	0.000	1	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O){2|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	118.0005	2.592	2	118.0005	6.716	2	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	118.6540	0.000	1	118.6540	0.000	1	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	112.6000	0.000	1	118.0950	15.643	4	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	117.8290	0.000	1	118.0950	15.643	4	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	121.1600	0.000	1	118.0950	15.643	4	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	120.7910	0.000	1	118.0950	15.643	4	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	120.0380	0.000	1	120.0380	0.000	1	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	122.4320	0.000	1	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,1|V<7>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	118.2420	0.000	1	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|N<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	120.4170	0.000	1	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	121.2688	0.588	10	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	120.6610	0.000	1	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	120.2640	0.878	2	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	122.0000	0.000	1	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	121.2680	0.000	1	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	121.2070	0.300	2	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	120.0720	0.000	1	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[6,6])	120.2150	0.000	1	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	119.1900	0.000	1	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	121.0780	0.000	1	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	120.7230	0.000	1	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	120.7372	0.368	5	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	121.6647	0.229	4	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|W<10>,1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	119.0510	0.000	1	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	O(C[6]C[6,6a]C[6,6])	121.7565	0.322	2	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	O(C[6]C[6,6a]C[6,6])	121.1150	0.229	2	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	120.0780	0.000	1	120.9286	0.781	40	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<2>,1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[6,6])	120.3050	0.000	1	121.1983	1.824	15	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6,6])	121.1925	0.029	2	121.1983	1.824	15	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|Cl<1>,1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	121.4730	0.000	1	121.1983	1.824	15	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	120.1770	0.000	3	121.1983	1.824	15	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	120.1150	0.373	2	121.1983	1.824	15	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	121.6880	0.000	1	121.1983	1.824	15	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	124.1110	0.694	2	121.1983	1.824	15	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	121.5085	0.097	2	121.1983	1.824	15	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	120.1230	0.000	1	121.1983	1.824	15	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]N[6a]C)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]N[6a]C){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	O(C[6]C[6,6a]C[6,6])	119.6440	0.000	1	119.6440	0.000	1	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	122.2930	0.000	1	122.8986	0.130	5	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	122.9690	0.000	2	122.8986	0.130	5	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	123.1310	0.191	2	122.8986	0.130	5	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	122.2107	0.713	9	121.9454	0.656	12	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<3>,3|C<4>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	121.4580	0.211	2	121.9454	0.656	12	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<4>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	120.5330	0.000	1	121.9454	0.656	12	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[5,6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[5,6])(O){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	121.3640	0.000	2	121.3640	0.000	2	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	123.0550	0.572	5	123.0046	0.231	7	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	122.7510	0.000	1	123.0046	0.231	7	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	123.0060	0.000	1	123.0046	0.231	7	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	122.9882	0.287	5	122.8371	0.248	17	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	122.7484	0.582	11	122.8371	0.248	17	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|O<2>}	O(C[6]C[6,6a]C[6,6])	123.0570	0.000	1	122.8371	0.248	17	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6,6])	123.0480	0.000	1	123.0480	0.000	1	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6])(O){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	122.6855	0.084	2	122.6855	0.007	2	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O)	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O){1|C<3>,1|N<2>,1|N<3>,1|S<4>,3|C<4>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	O(C[6]C[6,6a]C[6,6])	119.0040	0.000	1	118.9460	0.007	2	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O)	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O){1|C<4>,1|N<2>,1|O<2>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	O(C[6]C[6,6a]C[6,6])	118.8880	0.000	1	118.9460	0.007	2	121.3894	2.660	114	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O){1|H<1>,2|C<4>,4|C<3>}	O(C[6]C[6,6a]C[6,6])	120.9680	0.000	1	120.9680	0.000	1	120.9680	0.000	1	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	121.9430	0.535	2	121.9430	0.286	2	121.9430	0.286	2	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){2|O<2>,5|C<3>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]2)	121.1735	0.527	2	121.1735	0.278	2	121.1735	0.278	2	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|Cl<1>,1|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	O(C[6]C[6,6a]2)	120.8060	0.000	1	122.1828	0.507	9	122.1828	0.507	9	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	O(C[6]C[6,6a]2)	122.4203	0.603	6	122.1828	0.507	9	122.1828	0.507	9	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]2)	122.1585	0.052	2	122.1828	0.507	9	122.1828	0.507	9	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){7|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	O(C[6]C[6,6a]2)	119.7515	0.558	2	119.7515	0.311	2	121.1444	1.065	18	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.7880	0.000	1	121.3185	0.896	16	121.1444	1.065	18	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	O(C[6]C[6,6a]2)	121.8880	0.000	1	121.3185	0.896	16	121.1444	1.065	18	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.9944	0.535	8	121.3185	0.896	16	121.1444	1.065	18	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]2)	120.2442	0.248	6	121.3185	0.896	16	121.1444	1.065	18	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]2)	121.2030	0.000	1	121.2030	0.000	1	120.3540	0.544	3	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])2(O)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6,6a]C[6a])2(O){1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]2)	119.9295	0.077	2	119.9295	0.006	2	120.3540	0.544	3	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O){7|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2){8|C<3>}	O(C[6]C[6,6a]2)	121.8200	0.561	2	121.8200	0.315	2	121.5592	0.424	11	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]C)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]2)	121.6070	0.000	1	121.6070	0.000	1	121.5592	0.424	11	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	O(C[6]C[6,6a]2)	120.9840	0.000	1	121.2538	0.489	5	121.5592	0.424	11	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	O(C[6]C[6,6a]2)	121.9100	0.000	1	121.2538	0.489	5	121.5592	0.424	11	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	O(C[6]C[6,6a]2)	121.1860	0.000	1	121.2538	0.489	5	121.5592	0.424	11	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	O(C[6]C[6,6a]2)	121.0945	1.182	2	121.2538	0.489	5	121.5592	0.424	11	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<2>,4|C<3>}	O(C[6]C[6,6a]2)	122.7070	0.000	1	122.7070	0.000	1	121.5592	0.424	11	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])2(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Br<1>,5|C<3>}	O(C[6]C[6,6a]2)	121.5780	0.000	1	121.5780	0.000	1	121.5592	0.424	11	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])2(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	O(C[6]C[6,6a]2)	121.3500	0.000	1	121.3500	0.000	1	121.5592	0.424	11	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6a]C[6,6a,6a]C[6a])(O){7|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O){1|H<1>,7|C<3>}	O(C[6]C[6,6a]2)	121.4755	0.507	2	121.4755	0.257	2	121.4755	0.257	2	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|C<4>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.4520	0.024	2	120.4520	0.001	2	121.6003	1.455	6	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	122.1745	1.052	4	122.1745	1.106	4	121.6003	1.455	6	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	121.1465	0.313	2	121.1465	0.098	2	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.2060	1.114	2	120.2060	1.242	2	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|Cl<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|N<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	122.5220	0.000	1	122.5220	0.000	1	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]2)	121.2295	0.226	2	120.8900	0.218	8	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.7695	0.623	4	120.8900	0.218	8	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.7915	0.069	2	120.8900	0.218	8	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.7140	0.000	1	119.7140	0.000	1	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.8670	0.000	1	120.8044	1.509	15	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.7285	1.238	14	120.8044	1.509	15	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.1270	0.000	1	121.1270	0.000	1	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O(C[6]C[6,6a]2)	119.4890	0.000	1	120.5090	1.281	5	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.2440	0.000	1	120.5090	1.281	5	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.6810	0.000	1	120.5090	1.281	5	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.0655	0.699	2	120.5090	1.281	5	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]2)	120.8780	0.000	1	120.8780	0.000	1	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	123.5300	0.000	1	123.5300	0.000	1	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<2>}	O(C[6]C[6,6a]2)	121.5020	0.000	1	121.5020	0.000	1	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	119.5905	1.360	2	119.5905	1.849	2	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	118.3610	0.229	2	118.3610	0.052	2	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(O){1|C<4>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	119.0990	0.235	2	119.0990	0.055	2	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]2)	121.3740	0.191	2	121.2345	0.214	4	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]2)	121.0950	0.725	2	121.2345	0.214	4	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]2)	123.0190	0.000	1	123.0190	0.000	1	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]2)	120.5890	0.000	1	120.5890	0.000	1	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]2)	122.7575	1.258	2	122.7575	1.582	2	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]S[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]S[6a])(O){1|H<1>,2|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]2)	122.2325	0.111	2	122.2325	0.012	2	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]N[6a])(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]2)	123.3250	0.000	1	123.3250	0.000	1	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){3|O<2>,4|C<3>}	O(C[6]C[6,6a]2)	119.6500	0.000	1	121.2363	0.495	11	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.8515	0.136	2	121.2363	0.495	11	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	O(C[6]C[6,6a]2)	121.3130	0.286	2	121.2363	0.495	11	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.7957	0.429	4	121.2363	0.495	11	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	O(C[6]C[6,6a]2)	121.2185	0.473	2	121.2363	0.495	11	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.7380	0.000	1	121.7380	0.000	1	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.0395	0.612	2	120.0395	0.374	2	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	121.5095	0.798	4	121.3218	0.419	27	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	122.0542	0.670	4	121.3218	0.419	27	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.2280	1.616	2	121.3218	0.419	27	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.1387	0.389	14	121.3218	0.419	27	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	121.0120	0.019	3	121.3218	0.419	27	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.3170	0.000	1	120.3170	0.000	1	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	118.8445	0.661	2	119.5890	0.944	4	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.3335	0.421	2	119.5890	0.944	4	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	119.5460	0.000	1	119.5460	0.000	1	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	119.1950	0.000	1	119.1950	0.000	1	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<1>,6|C<3>}	O(C[6]C[6,6a]2)	121.0435	0.602	2	120.9731	0.459	9	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	O(C[6]C[6,6a]2)	121.5630	0.546	2	120.9731	0.459	9	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	O(C[6]C[6,6a]2)	120.7090	0.699	5	120.9731	0.459	9	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Br)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Br<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Br){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.2870	0.000	1	121.2870	0.000	1	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.1760	0.000	1	121.2746	1.104	15	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.5280	0.299	3	121.2746	1.104	15	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	121.1550	0.000	1	121.2746	1.104	15	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	119.9960	0.000	1	121.2746	1.104	15	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.5700	0.000	1	121.2746	1.104	15	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	123.3540	0.542	2	121.2746	1.104	15	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.1374	0.640	5	121.2746	1.104	15	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]C){1|O<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.2430	0.000	1	121.2746	1.104	15	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	123.1170	0.000	1	122.2774	0.363	5	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.8520	0.000	1	122.2774	0.363	5	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Cl){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	122.1393	0.505	3	122.2774	0.363	5	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Br<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.0440	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.8035	0.176	2	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.5235	1.042	2	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	118.6070	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.0560	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.3640	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){3|C<3>,4|H<1>}	O(C[6]C[6,6a]2)	119.6170	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.4870	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]2)	120.7140	0.686	4	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.7940	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.4535	0.869	4	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.0255	0.698	13	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]2)	121.6172	1.005	8	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.0295	0.089	4	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|P<4>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	122.1165	1.416	2	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.8470	1.581	4	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.7315	0.686	16	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.2340	0.337	4	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]2)	121.5863	1.162	8	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	O(C[6]C[6,6a]2)	121.7630	0.303	2	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.0630	0.244	6	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.8397	0.090	4	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	119.7050	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.2097	0.076	3	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.5530	0.665	3	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	118.7502	0.270	6	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	119.7060	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.9345	0.463	2	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.1781	0.970	23	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.0727	0.931	3	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.4380	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	119.6078	0.503	6	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	118.8210	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.8369	0.632	59	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	118.6440	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.2635	0.561	2	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	O(C[6]C[6,6a]2)	119.4834	0.540	7	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.0627	0.550	3	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.2590	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.7800	0.160	2	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	119.6478	1.172	5	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.5201	0.832	10	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.7730	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	122.7660	0.038	2	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Se<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.3010	0.382	3	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Br<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.3450	0.829	2	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<1>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.5790	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.6630	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.6065	0.687	6	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.2433	0.473	9	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	O(C[6]C[6,6a]2)	120.4610	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	121.2767	0.520	14	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<7>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	119.6140	0.000	1	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.9717	0.223	3	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.9050	5.182	2	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.8600	0.433	21	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.9585	0.811	2	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<4>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.6635	0.112	2	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.7786	0.682	41	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.7180	0.281	2	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<4>,3|C<3>}	O(C[6]C[6,6a]2)	120.8624	0.421	21	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	120.9572	0.448	32	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]2)	122.4035	0.078	4	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.8930	0.211	3	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<3>,3|C<3>}	O(C[6]C[6,6a]2)	120.5058	0.617	4	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.9976	0.488	197	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.7292	0.436	14	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.8803	0.523	8	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Se<2>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.9534	0.355	5	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.6137	0.650	25	120.7288	0.802	657	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|C<2>,1|C<4>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	122.0850	0.000	1	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.2523	0.334	3	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	122.9660	0.000	1	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.8140	0.000	1	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	123.2880	0.000	1	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	122.8430	0.000	1	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	122.0410	0.513	7	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	122.3217	1.513	3	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.5643	0.181	4	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	122.5057	0.411	11	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	122.2840	0.000	1	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.1135	0.095	2	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.8785	0.110	2	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.4520	0.414	4	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	121.0045	0.070	2	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|H<1>,1|O<2>,1|O<3>,3|C<3>}	O(C[6]C[6,6a]2)	121.2020	1.218	2	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.3067	0.667	6	121.3491	1.645	52	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.0557	0.547	3	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]2)	122.2450	0.000	1	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Br<1>,1|C<2>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.4330	0.000	1	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Br<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	121.2750	0.000	1	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.7950	0.588	3	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	122.1115	0.387	2	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.1180	0.000	1	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.9720	0.153	2	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	121.8463	0.886	46	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.3870	0.000	1	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.0870	0.035	2	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	122.3142	0.786	5	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	121.3487	0.342	3	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.9880	0.000	1	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.9145	0.340	2	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	121.2460	0.494	2	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	119.3170	0.639	5	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	122.3252	0.561	6	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.6960	1.010	53	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|O<1>,2|N<3>,3|C<3>}	O(C[6]C[6,6a]2)	120.3455	0.221	2	121.1994	1.250	142	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.5180	0.477	2	121.9467	1.706	12	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]S){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	122.2325	1.231	10	121.9467	1.706	12	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Se<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|H<1>,1|I<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.5940	0.000	1	120.4552	0.164	5	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Se<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.7760	0.055	2	120.4552	0.164	5	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|Se<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.0650	0.354	2	120.4552	0.164	5	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]C)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.6140	0.000	1	121.6140	0.000	1	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]2)	120.3005	0.015	2	120.3005	0.000	2	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,2|O<1>,5|C<3>}	O(C[6]C[6,6a]2)	121.1360	0.000	1	121.1360	0.000	1	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|S<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.3780	0.000	1	120.0017	0.063	7	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.1385	0.087	2	120.0017	0.063	7	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.8860	0.000	1	120.0017	0.063	7	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	119.5890	0.000	1	120.0017	0.063	7	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.9410	0.051	2	120.0017	0.063	7	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	O(C[6]C[6,6a]2)	121.3390	0.000	1	121.3665	0.002	2	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|I<1>,1|O<1>,5|C<3>}	O(C[6]C[6,6a]2)	121.3940	0.000	1	121.3665	0.002	2	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,2|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.8100	0.089	2	119.8100	0.008	2	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	118.9495	0.694	2	118.9495	0.481	2	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	116.0920	0.000	1	117.4427	3.849	4	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	115.7280	0.000	1	117.4427	3.849	4	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	118.9755	1.443	2	117.4427	3.849	4	120.8582	1.078	1022	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:N[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]H)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(N[6a]C[6a]H){2|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	118.5910	0.000	1	118.5910	0.000	1	118.5910	0.000	1	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O){7|C<3>}	O(C[6]C[6,6a]2)	122.0660	0.000	1	122.0660	0.000	1	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O){1|C<4>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O){1|N<2>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	122.5180	0.000	1	122.5180	0.000	1	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.9870	0.124	2	120.5048	0.422	4	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[4,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	121.0225	0.422	2	120.5048	0.422	4	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.3445	0.035	2	120.5298	0.074	4	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6,6a]O){1|O<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.7150	0.290	2	120.5298	0.074	4	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	119.2490	0.160	2	119.2490	0.026	2	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.5500	0.464	4	121.5500	0.215	4	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]H)(C[6]C[6,6a]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.8695	0.156	2	121.8695	0.024	2	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.3695	0.207	2	121.0408	0.169	4	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6,6a]O){1|O<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.7120	0.181	2	121.0408	0.169	4	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	120.6580	0.786	2	120.5847	1.290	8	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|O<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]2)	122.5590	0.000	1	120.5847	1.290	8	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	119.6440	0.894	3	120.5847	1.290	8	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	120.9355	0.067	2	120.5847	1.290	8	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]O){1|Cl<1>,1|N<2>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.0990	0.072	2	120.0990	0.005	2	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|Cl<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6,6a]O){1|N<2>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	122.2520	0.038	2	122.2520	0.001	2	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]2)	120.6585	0.711	2	121.0806	0.410	18	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){3|H<1>,4|C<3>}	O(C[6]C[6,6a]2)	120.6545	0.794	4	121.0806	0.410	18	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.0210	0.874	2	121.0806	0.410	18	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2)	120.7830	0.000	1	121.0806	0.410	18	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.1445	0.241	6	121.0806	0.410	18	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|O<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]2)	122.1880	0.000	1	121.0806	0.410	18	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){2|S<1>,4|C<3>}	O(C[6]C[6,6a]2)	121.8180	0.085	2	121.0806	0.410	18	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){2|H<1>,5|C<3>}	O(C[6]C[6,6a]2)	120.7200	0.000	1	120.6555	0.474	4	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2)	119.6630	0.000	1	120.6555	0.474	4	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){1|N<2>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2)	121.1195	0.028	2	120.6555	0.474	4	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2)	122.9225	0.387	2	122.9225	0.150	2	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C[3])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C[3])(C[6]C[6,6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	O(C[6]C[6,6a]2)	122.3090	0.000	1	122.3090	0.000	1	121.0327	0.866	59	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	O(C[6]C[6,6a]2)	122.1060	0.000	1	122.2370	0.052	4	122.6715	0.497	6	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|H<1>,5|C<3>}	O(C[6]C[6,6a]2)	122.2270	0.341	2	122.2370	0.052	4	122.6715	0.497	6	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,2|O<2>,5|C<3>}	O(C[6]C[6,6a]2)	122.3880	0.000	1	122.2370	0.052	4	122.6715	0.497	6	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	O(C[6]C[6,6a]2)	123.3620	0.000	1	123.3620	0.000	1	122.6715	0.497	6	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6,6a]O){1|O<1>,1|O<2>,5|C<3>}	O(C[6]C[6,6a]2)	123.7190	0.000	1	123.7190	0.000	1	122.6715	0.497	6	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){7|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	O(C[6]C[6,6a]2)	123.5810	2.345	2	123.5810	5.498	2	122.3629	1.123	14	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	O(C[6]C[6,6a]2)	121.9380	0.433	3	121.6827	0.301	6	122.3629	1.123	14	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){7|C<3>}	C[6,6a](C[6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	O(C[6]C[6,6a]2)	121.4273	0.608	3	121.6827	0.301	6	122.3629	1.123	14	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,6|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,7|C<3>}	O(C[6]C[6,6a]2)	122.0950	0.518	2	122.0950	0.268	2	122.3629	1.123	14	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]2)	122.9080	0.291	4	122.9080	0.085	4	122.3629	1.123	14	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]C[6])	120.5850	0.587	3	120.5850	0.345	3	121.4295	2.211	8	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.9362	1.686	5	121.9362	2.842	5	121.4295	2.211	8	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<1>,2|O<2>}	O(C[6]C[6,6a]C[6])	121.2786	0.808	5	121.0198	0.924	6	121.0198	0.924	6	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[6])	119.7260	0.000	1	121.0198	0.924	6	121.0198	0.924	6	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6])	121.8140	0.000	1	121.8140	0.000	1	121.8140	0.000	1	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	123.0275	0.224	2	123.1200	0.175	4	123.4111	1.281	15	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	123.2125	0.664	2	123.1200	0.175	4	123.4111	1.281	15	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6,6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|O<2>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6,6a]O)(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6]C[6,6a]C[6])	121.4380	0.000	1	121.4380	0.000	1	123.4111	1.281	15	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6])	122.3545	0.005	2	122.3545	0.000	2	123.4111	1.281	15	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O){2|C<4>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	124.4337	0.398	6	124.4337	0.159	6	123.4111	1.281	15	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O){1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]C[6])	122.9685	1.866	2	122.9685	3.482	2	123.4111	1.281	15	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6]O)(O){1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]C[6])	121.7380	0.308	3	121.7380	0.095	3	121.5793	1.034	16	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6])	122.5660	0.000	1	122.5660	0.000	1	121.5793	1.034	16	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[5])(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[5])(O){1|H<1>,2|S<2>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6])	119.2250	0.000	1	119.2250	0.000	1	121.5793	1.034	16	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(O){1|C<2>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	121.7090	0.000	1	121.7090	0.000	1	121.5793	1.034	16	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6])	121.6260	0.000	1	121.6260	0.000	1	121.5793	1.034	16	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.2840	0.000	1	121.6195	0.131	4	121.5793	1.034	16	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.8510	0.397	2	121.6195	0.131	4	121.5793	1.034	16	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,2|N<2>}	O(C[6]C[6,6a]C[6])	121.4920	0.000	1	121.6195	0.131	4	121.5793	1.034	16	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]I)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]I)(C[6]C[6]O){2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	122.1080	0.000	1	122.1080	0.000	1	121.5793	1.034	16	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N)(C[6]C[6]O){2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	122.8990	0.000	1	122.8990	0.000	1	121.5793	1.034	16	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]O){2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	119.2100	0.000	1	121.1480	2.861	3	121.5793	1.034	16	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]O){2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	122.1170	0.297	2	121.1480	2.861	3	121.5793	1.034	16	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(O){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.7670	0.000	1	124.2848	0.123	4	123.3134	1.111	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(O){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	124.4573	0.081	3	124.2848	0.123	4	123.3134	1.111	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	O(C[6]C[6,6a]C[6])	122.8060	0.000	1	122.8060	0.000	1	123.3134	1.111	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|Fe<10>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[6])	122.7980	0.000	1	122.7980	0.000	1	123.3134	1.111	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	122.1390	0.327	4	122.1390	0.107	4	123.3134	1.111	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	124.0970	0.000	1	124.2310	0.036	2	123.3134	1.111	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	124.3650	0.000	1	124.2310	0.036	2	123.3134	1.111	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O)	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.7170	0.000	1	121.7170	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.6020	0.000	1	121.6020	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(O){2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6])	119.4140	0.038	2	119.4140	0.001	2	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(O)	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[4,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	120.2020	0.000	1	120.2020	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	O(C[6]C[6,6a]C[6])	122.5455	0.400	2	123.0226	0.919	10	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.3340	0.081	2	123.0226	0.919	10	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.4112	1.076	6	123.0226	0.919	10	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	122.6300	0.000	1	122.6300	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.4530	0.024	2	120.6837	1.776	3	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	119.1450	0.000	1	120.6837	1.776	3	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	117.6320	0.000	1	117.6320	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.2690	0.000	1	122.7029	0.125	7	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.0600	0.000	1	122.7029	0.125	7	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[6])	122.5030	0.000	1	122.7029	0.125	7	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.5220	0.209	4	122.7029	0.125	7	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.6552	0.428	4	121.6552	0.183	4	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	116.5680	0.000	1	116.5680	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O){1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6]C[6,6a]C[6])	121.3670	0.000	1	121.3670	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.5675	0.317	2	122.5675	0.101	2	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O){1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.5620	0.000	1	121.5620	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	O(C[6]C[6,6a]C[6])	123.1860	0.000	1	123.1860	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.7882	0.434	5	123.3306	0.673	8	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|O<2>,3|C<4>}	O(C[6]C[6,6a]C[6])	124.1690	0.082	2	123.3306	0.673	8	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6a]C[6])	124.3660	0.000	1	123.3306	0.673	8	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6])	123.3538	0.590	5	123.3538	0.348	5	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.0540	0.000	1	122.9920	3.539	3	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.9610	1.202	2	122.9920	3.539	3	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(O){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,2|C<3>,2|N<2>}	O(C[6]C[6,6a]C[6])	118.2365	0.241	2	118.2365	0.058	2	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6])	124.4350	0.000	1	123.4578	0.410	11	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6])	124.4460	0.000	1	123.4578	0.410	11	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.0327	0.347	3	123.4578	0.410	11	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.1920	0.393	5	123.4578	0.410	11	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	124.0970	0.000	1	123.4578	0.410	11	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]O){1|O<1>,6|C<3>}	O(C[6]C[6,6a]C[6])	124.2683	0.620	3	124.2683	0.385	3	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6])	121.5202	1.178	15	121.3812	2.316	19	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	118.5780	0.168	2	121.3812	2.316	19	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.1420	0.178	2	121.3812	2.316	19	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.8777	0.350	4	121.8777	0.123	4	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	122.1970	0.776	2	119.7929	2.853	24	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	120.2020	0.249	2	119.7929	2.853	24	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	120.0505	0.179	2	119.7929	2.853	24	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	118.7350	0.000	1	119.7929	2.853	24	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.7262	0.285	4	119.7929	2.853	24	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	120.0412	1.590	4	119.7929	2.853	24	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	119.2757	0.250	3	119.7929	2.853	24	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	117.7498	0.746	6	119.7929	2.853	24	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	122.3690	0.000	1	122.3690	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	120.9030	0.000	1	120.9030	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|Br<1>,1|C<3>,1|N<2>,1|O<1>,2|C<4>}	O(C[6]C[6,6a]C[6])	118.0975	0.596	2	118.0975	0.355	2	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|H<1>,1|I<1>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6])	121.5300	0.000	1	120.8709	1.561	17	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|H<1>,2|C<3>,2|O<2>}	O(C[6]C[6,6a]C[6])	122.3800	0.000	1	120.8709	1.561	17	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.2450	0.301	2	120.8709	1.561	17	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.7240	0.000	1	120.8709	1.561	17	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|N<2>,1|O<1>,2|H<1>}	O(C[6]C[6,6a]C[6])	118.8130	0.000	1	120.8709	1.561	17	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6])	120.7940	0.000	1	120.8709	1.561	17	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	120.2259	1.084	8	120.8709	1.561	17	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|H<1>,1|I<1>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6])	121.0390	0.000	1	120.8709	1.561	17	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.2290	0.000	1	120.8709	1.561	17	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|I<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.2600	0.000	1	123.2600	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	120.2700	0.134	2	120.2700	0.018	2	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.1250	0.225	4	120.8811	0.176	7	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[6])	120.5560	0.417	3	120.8811	0.176	7	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O){1|H<1>,2|C<3>,4|C<4>}	O(C[6]C[6,6a]C[6])	120.7360	0.000	1	120.7360	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6])	122.7870	0.505	4	122.7870	0.255	4	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.6200	0.000	1	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<2>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.1760	0.000	1	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	120.1230	0.000	1	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	120.6440	0.314	2	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	120.1945	1.179	2	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]C[6])	120.6190	0.000	1	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	120.4493	0.354	13	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	120.4452	0.579	5	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[6])	120.6850	0.000	1	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<5>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Os<10>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	117.8130	0.000	1	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	118.2290	0.000	1	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	117.8090	0.000	1	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	120.2184	0.806	14	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	119.0760	0.000	1	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	120.1850	0.000	1	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.1959	0.641	14	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.6087	0.339	7	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	120.9867	1.351	7	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	O(C[6]C[6,6a]C[6])	121.0950	0.000	1	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.7180	0.341	4	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	120.9882	0.779	5	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.6020	0.103	2	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	120.7400	0.000	1	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	117.0160	0.000	1	120.6695	1.083	88	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|I<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	122.1710	0.033	2	122.1710	0.001	2	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	120.7190	0.000	1	120.6117	0.477	9	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.0260	1.117	2	120.6117	0.477	9	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	120.2990	0.159	3	120.6117	0.477	9	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	119.7030	0.000	1	120.6117	0.477	9	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	120.5060	0.000	1	120.6117	0.477	9	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	O(C[6]C[6,6a]C[6])	121.6280	0.000	1	120.6117	0.477	9	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	118.0660	0.000	1	118.0660	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6])	120.5710	0.000	1	120.6747	2.180	47	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	118.1280	0.000	1	120.6747	2.180	47	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	115.9760	0.000	1	120.6747	2.180	47	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	119.4899	1.096	15	120.6747	2.180	47	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	121.7470	0.091	2	120.6747	2.180	47	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.3680	0.197	2	120.6747	2.180	47	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.6228	0.550	9	120.6747	2.180	47	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[6])	122.1895	0.655	2	120.6747	2.180	47	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<4>,2|C<3>}	O(C[6]C[6,6a]C[6])	120.6827	0.099	3	120.6747	2.180	47	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.6272	0.795	10	120.6747	2.180	47	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.1550	0.000	1	120.6747	2.180	47	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|S<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6])	116.7963	0.316	3	116.7963	0.100	3	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]O){1|C<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[6])	125.0040	0.000	1	125.0040	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.1480	0.092	2	121.1368	1.301	24	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.4825	0.313	2	121.1368	1.301	24	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	119.5660	0.000	1	121.1368	1.301	24	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|N<2>,1|O<1>,2|H<1>}	O(C[6]C[6,6a]C[6])	119.7260	0.000	1	121.1368	1.301	24	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.0456	1.130	16	121.1368	1.301	24	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	120.9995	0.595	2	121.1368	1.301	24	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|Cl<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	124.6995	0.036	2	123.5710	3.821	3	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	121.3140	0.000	1	123.5710	3.821	3	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.7175	0.187	2	121.7175	0.035	2	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	121.6635	0.316	2	121.6996	0.294	10	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.2325	0.996	2	121.6996	0.294	10	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.4125	0.168	4	121.6996	0.294	10	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	121.2480	0.000	1	121.6996	0.294	10	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	122.3060	0.000	1	121.6996	0.294	10	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.6395	0.086	2	123.0937	0.897	3	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.0020	0.000	1	123.0937	0.897	3	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.4150	0.000	1	121.4150	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.6960	0.000	1	121.6960	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.2530	0.000	1	123.2530	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]O){2|H<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.3630	0.000	1	123.3630	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	121.9660	0.349	2	121.9660	0.122	2	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	122.7020	0.000	1	122.7020	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.8405	0.258	4	121.8405	0.067	4	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6])	119.6510	0.000	1	119.6510	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.0230	0.000	1	123.0230	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	119.6058	0.471	4	119.1158	0.710	6	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	O(C[6]C[6,6a]C[6])	118.0850	0.000	1	119.1158	0.710	6	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	118.1870	0.000	1	119.1158	0.710	6	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	119.6870	0.000	1	119.6870	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	123.1860	0.000	1	123.1860	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.8360	0.000	1	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.9200	0.000	1	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.1392	0.275	6	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.1080	0.000	1	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.5215	0.568	2	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.8930	0.000	1	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<2>,1|O<1>,3|H<1>}	O(C[6]C[6,6a]C[6])	119.1960	0.000	1	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	119.2675	0.491	2	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	119.7166	1.225	11	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	118.9410	0.383	3	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	119.3520	0.195	2	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	120.6014	0.516	7	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	118.5675	1.089	4	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	120.7260	0.000	1	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	121.9620	0.000	1	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Se<2>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.1250	0.000	1	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.2740	0.000	1	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	122.1310	0.000	1	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	116.2760	0.000	1	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.2590	0.860	2	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.6550	0.000	1	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.0752	0.393	4	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.6530	0.401	4	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.5282	0.181	8	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Se<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.0615	0.521	4	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	120.6300	0.000	1	120.6797	1.848	72	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Br<1>,1|I<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.9460	0.000	1	122.5240	0.329	7	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.1875	0.528	2	122.5240	0.329	7	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.2310	0.000	1	122.5240	0.329	7	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.6610	0.000	1	122.5240	0.329	7	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.2275	0.200	2	122.5240	0.329	7	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.0100	0.000	1	121.3515	0.233	2	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.6930	0.000	1	121.3515	0.233	2	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.2690	0.116	2	121.8025	1.780	14	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Cl<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[6]C[6,6a]C[6])	121.0640	0.000	1	121.8025	1.780	14	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	122.1670	0.000	1	121.8025	1.780	14	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.3730	0.000	1	121.8025	1.780	14	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	124.0850	0.000	1	121.8025	1.780	14	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.6640	0.000	1	121.8025	1.780	14	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.7910	0.000	1	121.8025	1.780	14	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	122.6440	0.000	1	121.8025	1.780	14	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	120.0140	0.981	3	121.8025	1.780	14	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.4510	0.000	1	121.8025	1.780	14	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.4160	0.000	1	121.8025	1.780	14	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	120.7790	0.177	2	121.5067	0.393	6	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.8705	0.338	4	121.5067	0.393	6	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Se)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Se<2>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Se)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.7463	0.799	4	121.7463	0.638	4	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|N<2>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]C)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6])	122.4210	0.000	1	122.4210	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|N<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	120.1970	0.000	1	121.0426	0.624	9	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.0906	0.817	7	121.0426	0.624	9	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.5520	0.000	1	121.0426	0.624	9	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Ir)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Ir)(O){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Ir<9>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	120.7470	0.293	2	120.7470	0.086	2	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	122.5220	0.000	1	122.5220	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	122.6284	0.762	5	122.6284	0.581	5	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6])	123.1580	0.000	1	122.1274	0.914	56	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.0542	0.820	8	122.1274	0.914	56	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.8086	0.950	5	122.1274	0.914	56	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.4410	0.000	1	122.1274	0.914	56	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.3211	0.433	13	122.1274	0.914	56	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	120.4142	1.315	6	122.1274	0.914	56	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6])	122.1870	0.000	1	122.1274	0.914	56	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	122.3285	0.749	2	122.1274	0.914	56	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.0055	0.128	2	122.1274	0.914	56	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	122.6800	0.000	1	122.1274	0.914	56	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.8080	0.000	1	122.1274	0.914	56	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.4180	0.110	2	122.1274	0.914	56	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.3245	0.666	13	122.1274	0.914	56	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	123.2430	0.000	1	123.2430	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.3575	0.153	2	123.2310	0.060	3	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	122.9780	0.000	1	123.2310	0.060	3	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6])	121.8360	0.000	1	121.9430	0.042	3	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6])	121.8150	0.000	1	121.9430	0.042	3	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6])	122.1780	0.000	1	121.9430	0.042	3	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.1150	0.000	1	122.1150	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5])(O){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	120.1490	0.000	1	121.0865	1.758	2	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5])(O){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.0240	0.000	1	121.0865	1.758	2	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.2340	0.161	2	121.2340	0.026	2	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.1075	3.132	2	122.1075	9.808	2	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O){1|O<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.7150	0.000	1	123.7150	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.5930	0.000	1	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.2070	0.537	3	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.0394	0.669	17	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[6])	124.1960	0.000	1	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|I<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.9464	0.452	7	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.1330	0.529	2	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[6])	123.9870	0.000	1	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.6368	0.200	5	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	O(C[6]C[6,6a]C[6])	122.9490	0.000	1	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.0586	0.815	5	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.8870	0.000	1	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.1440	0.000	1	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.9100	0.471	5	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.3015	0.334	2	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.8000	0.514	6	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.8573	0.226	3	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.6290	0.123	2	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[6])	122.0535	0.309	2	123.0662	0.565	65	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[6]C[6,6a]C[6])	124.3230	0.748	2	123.8320	0.459	5	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.1040	0.000	1	123.8320	0.459	5	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	123.7050	0.482	2	123.8320	0.459	5	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	125.2530	0.000	1	125.2530	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|Cl<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]C[6])	122.2200	0.000	1	122.2200	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.0703	0.610	14	121.1627	0.939	20	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	118.7850	0.000	1	121.1627	0.939	20	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.4505	1.933	2	121.1627	0.939	20	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|S<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.8930	0.000	1	121.1627	0.939	20	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	122.4210	0.000	1	121.1627	0.939	20	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.2700	0.000	1	121.1627	0.939	20	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|S<2>,2|C<3>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[6])	120.8240	0.000	1	120.8240	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]O){1|O<1>,1|S<2>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.5083	0.371	3	123.5083	0.138	3	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Se<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.5890	0.000	1	122.5890	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	120.7686	0.346	5	120.7500	0.432	8	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6])	119.4740	0.000	1	120.7500	0.432	8	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.6710	0.000	1	120.7500	0.432	8	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.0120	0.000	1	120.7500	0.432	8	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.9330	0.000	1	121.9330	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[6])	117.3293	0.552	28	117.3293	0.305	28	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<3>,1|N<2>,1|S<4>,2|C<4>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]C)(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	O(C[6]C[6,6a]C[6])	119.0510	0.129	2	119.0510	0.017	2	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[6])	124.1370	0.000	1	124.1370	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	O(C[6]C[6,6a]C[6])	117.3030	0.000	1	117.3620	0.687	4	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|P<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	117.3817	1.014	3	117.3620	0.687	4	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	116.4600	0.000	1	116.4600	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	117.3120	0.000	1	117.3120	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,1|S<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.3820	0.000	1	122.3820	0.000	1	121.2709	3.186	704	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(O){1|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	124.7660	0.327	2	124.7660	0.107	2	123.2859	3.997	10	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]O)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]O)(O){5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	124.5400	0.000	1	124.5400	0.000	1	123.2859	3.997	10	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|H<1>,1|O<2>,6|C<3>}	O(C[6]C[6,6a]C[6])	118.2890	0.000	1	118.2890	0.000	1	123.2859	3.997	10	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	123.0515	0.080	2	123.0515	0.006	2	123.2859	3.997	10	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6])	122.8780	1.508	2	122.8780	2.273	2	123.2859	3.997	10	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	124.1100	0.000	1	124.1100	0.000	1	123.2859	3.997	10	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(O)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6])	124.5290	0.000	1	124.5290	0.000	1	123.2859	3.997	10	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6])	120.8240	0.000	1	120.8240	0.000	1	120.8240	0.000	1	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5,6]-3:O-1:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6]S[5])(O)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]N[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5,6])	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6]S[5])(O){1|H<1>,1|N<3>,2|O<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	O(C[6]C[6,6a]N[5,6])	126.7900	0.000	1	126.7900	0.000	1	126.7900	0.000	1	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[5,6])	122.5010	0.000	1	122.5010	0.000	1	123.6766	3.300	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|N<3>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>}	O(C[6]C[6,6a]N[5,6])	121.2740	0.000	1	122.5020	0.747	4	123.6766	3.300	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[5,6])	122.7260	0.157	2	122.5020	0.747	4	123.6766	3.300	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[5,6])	123.2820	0.000	1	122.5020	0.747	4	123.6766	3.300	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|O<2>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[6,6a]N[5,6])	121.5730	0.000	1	122.3615	1.243	2	123.6766	3.300	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[5,6])	123.1500	0.000	1	122.3615	1.243	2	123.6766	3.300	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[5,6])	126.1693	1.236	3	126.1693	1.528	3	123.6766	3.300	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[5,6])	124.5270	0.000	1	124.1895	0.228	2	123.6766	3.300	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(O){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[5,6])	123.8520	0.000	1	124.1895	0.228	2	123.6766	3.300	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]O)	O(C[6]C[6,6a]N[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(O){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]N[5,6])	122.5300	0.000	1	122.5300	0.000	1	122.4350	0.018	2	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]N[5,6]O)	O(C[6]C[6,6a]N[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(O){2|O<2>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]N[5,6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[5,6])	122.3400	0.000	1	122.3400	0.000	1	122.4350	0.018	2	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5,6]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]N[5,6]O)	O(C[6]C[6,6a]N[5,6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(O){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]N[5,6]O){3|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]N[5,6])	123.3540	0.000	1	123.3540	0.000	1	123.3540	0.000	1	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5a,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5a,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(O){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[5a,6])	125.0090	0.000	1	125.0090	0.000	1	125.9475	1.762	2	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5a,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5a,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[5a,6])	126.8860	0.000	1	126.8860	0.000	1	125.9475	1.762	2	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6,6])	123.2320	0.000	1	123.2320	0.000	1	123.2320	0.000	1	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6,6]C[6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6,6]C[6])(O){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6,6])	121.1785	0.069	2	121.1785	0.005	2	122.5116	2.355	22	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6,6])	121.0530	0.229	3	121.0530	0.053	3	122.5116	2.355	22	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6,6])	121.8800	0.565	3	121.8800	0.319	3	122.5116	2.355	22	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]N[6,6])	122.3245	0.339	2	123.7208	2.250	9	122.5116	2.355	22	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6,6])	123.4015	0.411	2	123.7208	2.250	9	122.5116	2.355	22	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|Pt<4>,1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6,6])	126.1810	0.000	1	123.7208	2.250	9	122.5116	2.355	22	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6,6])	124.7313	0.351	3	123.7208	2.250	9	122.5116	2.355	22	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]N[6,6])	121.6600	0.000	1	123.7208	2.250	9	122.5116	2.355	22	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6,6])	123.8290	0.000	1	123.8290	0.000	1	122.5116	2.355	22	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6,6])	121.0245	0.313	2	121.0245	0.098	2	122.5116	2.355	22	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[6,6a]N[6,6])	122.3675	0.337	2	122.3675	0.114	2	122.5116	2.355	22	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6,6]C[6])(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6,6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6a]N[6])	120.5340	0.000	1	120.5340	0.000	1	122.0588	0.879	5	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,2|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.2900	0.412	3	122.4400	0.203	4	122.0588	0.879	5	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6,6a]C[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,3|C<3>,3|C<4>}	O(C[6]C[6,6a]N[6])	122.8900	0.000	1	122.4400	0.203	4	122.0588	0.879	5	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6]N[6]O){1|C<4>,1|N<3>,6|C<3>}	O(C[6]C[6,6a]N[6])	123.5630	0.205	2	123.5630	0.042	2	123.1732	0.250	4	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O){1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[6]N[6]O){1|C<4>,1|H<1>,6|C<3>}	O(C[6]C[6,6a]N[6])	122.7835	0.315	2	122.7835	0.099	2	123.1732	0.250	4	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,6|C<3>}	O(C[6]C[6,6a]N[6])	125.3465	0.457	2	125.3465	0.209	2	124.3894	0.414	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,6|C<3>}	O(C[6]C[6,6a]N[6])	124.2095	0.571	2	124.2447	0.071	6	124.3894	0.414	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O){2|C<4>,6|C<3>}	O(C[6]C[6,6a]N[6])	124.2622	0.096	4	124.2447	0.071	6	124.3894	0.414	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]N[6]O){1|C<4>,1|H<1>,6|C<3>}	O(C[6]C[6,6a]N[6])	124.4830	0.112	2	124.4830	0.012	2	124.3894	0.414	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a,6a]C[6a,6a]C[3x6a])(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6a]C[6])(O){1|O<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a,6a]C[6a,6a]C[3x6a])(C[6]N[6]O){8|C<3>}	O(C[6]C[6,6a]N[6])	123.7730	1.116	2	123.7730	1.245	2	124.3894	0.414	12	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[4]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[4]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	123.6805	0.411	2	123.6805	0.169	2	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[5a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[5a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	124.3370	0.238	2	124.3370	0.056	2	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Br<1>,1|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.5180	0.249	2	121.5786	0.393	16	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.7347	0.668	11	121.5786	0.393	16	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.0960	0.468	2	121.5786	0.393	16	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	120.9480	0.000	1	121.5786	0.393	16	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	123.6511	0.293	14	122.4393	1.929	44	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.8737	1.335	30	122.4393	1.929	44	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	123.2142	0.525	4	122.1108	1.027	12	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.5591	0.673	8	122.1108	1.027	12	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]N[6]O){1|Si<4>,1|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	123.6290	0.033	2	123.6290	0.001	2	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5a,6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.9625	0.552	2	121.9625	0.305	2	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O){1|C<4>,5|C<3>}	O(C[6]C[6,6a]N[6])	121.6838	0.463	4	121.6838	0.214	4	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]B[5])(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|B<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]B[5])(C[6]N[6]O){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	O(C[6]C[6,6a]N[6])	120.6500	0.120	2	120.6500	0.014	2	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|C<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]N[6]O){1|Cl<1>,1|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.3895	1.062	4	121.3895	1.128	4	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<2>,1|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.7190	0.000	1	122.4431	1.244	37	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.4428	0.953	20	122.4431	1.244	37	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.1300	0.482	2	122.4431	1.244	37	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.5150	0.000	1	122.4431	1.244	37	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	123.1313	0.674	10	122.4431	1.244	37	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	120.9097	2.218	3	122.4431	1.244	37	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]N[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]N[6a]H)(C[6]N[6]O){1|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.1300	0.000	1	121.1300	0.000	1	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	123.4465	0.238	2	123.4465	0.057	2	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]Br)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|Br<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]Br)(C[6]N[6]O){1|Br<1>,1|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	123.4210	0.648	4	123.4210	0.420	4	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]C)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|C<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]C)(C[6]N[6]O){1|C<4>,1|S<2>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.8830	0.000	1	121.8830	0.000	1	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]Cl)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|Cl<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]Cl)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	123.7480	0.000	1	123.7480	0.000	1	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.3682	0.583	12	122.5427	1.280	20	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.5110	0.710	2	122.5427	1.280	20	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|P<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	124.7230	0.837	3	122.5427	1.280	20	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.6880	0.000	1	122.5427	1.280	20	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.7780	0.153	2	122.5427	1.280	20	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]P)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]P)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.7900	0.823	3	122.7900	0.677	3	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]S)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]S)(C[6]N[6]O){1|C<2>,1|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.0890	0.000	1	122.0890	0.000	1	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6,6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6,6a]H)(C[6]N[6]O){2|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	123.3670	0.351	3	123.3670	0.123	3	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C)(C[6]N[6]O){1|C<4>,5|C<3>}	O(C[6]C[6,6a]N[6])	121.6680	0.000	1	121.6680	0.000	1	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O){1|C<4>,5|C<3>}	O(C[6]C[6,6a]N[6])	122.3980	0.000	1	122.3980	0.000	1	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Br<1>,1|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.7020	0.000	1	122.8566	0.959	340	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.8413	0.976	327	122.8566	0.959	340	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.7657	0.609	6	122.8566	0.959	340	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	125.2720	0.423	2	122.8566	0.959	340	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Ir<6>,1|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.8963	0.140	3	122.8566	0.959	340	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	123.6160	0.000	1	122.8566	0.959	340	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){2|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	123.3950	0.168	2	123.3950	0.028	2	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|N<3>,4|C<3>}	O(C[6]C[6,6a]N[6])	124.1335	0.309	4	124.1335	0.096	4	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|N<2>,4|C<3>}	O(C[6]C[6,6a]N[6])	124.1163	0.342	4	124.4413	0.211	10	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|N<3>,4|C<3>}	O(C[6]C[6,6a]N[6])	124.6580	0.410	6	124.4413	0.211	10	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5a,6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[5a,6a]H)(C[6]N[6]O){1|N<3>,5|C<3>}	O(C[6]C[6,6a]N[6])	123.9410	0.000	1	123.9410	0.000	1	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]N[6]O){6|C<3>}	O(C[6]C[6,6a]N[6])	123.3470	0.000	1	123.3470	0.000	1	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	124.3890	0.864	2	123.1669	1.144	13	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	123.9945	0.303	2	123.1669	1.144	13	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	122.4612	1.025	6	123.1669	1.144	13	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|I<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	123.4250	0.105	2	123.1669	1.144	13	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,5|C<3>}	O(C[6]C[6,6a]N[6])	122.7860	0.000	1	123.1669	1.144	13	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	123.2303	0.545	4	123.2303	0.297	4	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	122.9520	0.451	2	122.9520	0.204	2	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6,6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6,6a]H)(C[6]N[6]O){1|C<4>,5|C<3>}	O(C[6]C[6,6a]N[6])	123.2150	0.066	2	123.2150	0.004	2	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	124.0155	0.723	2	123.2720	0.347	50	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	123.2411	0.571	48	123.2720	0.347	50	122.8085	1.129	594	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	121.2067	0.286	4	121.2362	0.066	5	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.3540	0.000	1	121.2362	0.066	5	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.4415	0.301	2	121.4415	0.090	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,3x6]C)(O)	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,3x6]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	120.9280	0.000	1	120.9280	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	121.1320	0.165	2	121.1320	0.027	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	121.7615	0.364	2	121.7615	0.133	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]N[6])	121.1970	0.000	1	121.5238	0.179	4	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]N[6])	121.3865	0.179	2	121.5238	0.179	4	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Fe<10>,1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]N[6])	122.1250	0.000	1	121.5238	0.179	4	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]N[6])	120.5700	0.395	2	120.6013	0.081	3	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	120.6640	0.000	1	120.6013	0.081	3	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.6460	0.000	1	121.4190	0.103	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.1920	0.000	1	121.4190	0.103	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(O){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.5860	0.000	1	122.5860	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[6,6a]N[6])	121.2560	0.000	1	120.9490	0.188	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6])	120.6420	0.000	1	120.9490	0.188	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	122.6035	0.022	2	122.6035	0.000	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.9775	0.194	2	122.0307	0.027	3	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.1370	0.000	1	122.0307	0.027	3	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.2660	0.000	2	122.2660	0.000	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]N)(O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]N)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	122.8890	0.291	2	122.8890	0.085	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(O){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	123.2910	0.000	1	123.2910	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	123.0970	0.000	1	123.0970	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O){1|N<2>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	123.4730	0.000	1	123.0655	0.332	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.6580	0.000	1	123.0655	0.332	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]N[6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]N[6])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|N<3>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.9930	1.665	2	122.9930	2.771	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]N[6])	120.7070	0.000	1	120.7070	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	122.6585	1.074	4	122.6585	1.153	4	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[6,6a]N[6])	121.2910	0.000	1	121.9420	0.345	3	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]N[6])	122.4320	0.000	1	121.9420	0.345	3	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6,6a]N[6])	122.1030	0.000	1	121.9420	0.345	3	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.8405	0.230	2	121.9575	0.059	4	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.0745	0.262	2	121.9575	0.059	4	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	120.0317	0.723	3	120.4275	0.975	4	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.6150	0.000	1	120.4275	0.975	4	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	120.9745	0.462	2	121.0057	0.110	3	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6])	121.0680	0.000	1	121.0057	0.110	3	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.4220	0.000	1	122.4220	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.4920	0.000	1	122.2253	0.475	3	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	122.7410	0.000	1	122.2253	0.475	3	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.4430	0.000	1	122.2253	0.475	3	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,1|S<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]S)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.3630	0.000	1	121.3630	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.2990	0.000	1	122.2990	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.2750	0.000	2	122.1238	0.095	5	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.8880	0.000	1	122.1238	0.095	5	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.0905	0.524	2	122.1238	0.095	5	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.6880	0.000	2	122.0620	0.420	3	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	122.8100	0.000	1	122.0620	0.420	3	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N)(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]N[6])	122.4180	0.123	2	122.4180	0.015	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.7920	0.000	1	122.0710	0.156	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.3500	0.000	1	122.0710	0.156	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O){1|N<3>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6]C[6,6a]N[6])	123.8035	0.293	2	123.8035	0.086	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[6])(O)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[6])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	123.6130	0.117	2	123.6130	0.014	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]O)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]N[6])	123.8720	0.000	1	123.8720	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(O)	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	124.4340	0.000	1	124.4340	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	125.2670	0.000	1	125.2670	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	122.7664	0.274	5	122.7664	0.075	5	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	123.0286	0.285	7	123.0286	0.081	7	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6])	122.5157	0.100	3	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6]C[6,6a]N[6])	122.5245	0.390	4	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	123.3405	0.911	2	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	123.0620	0.000	1	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	123.1050	0.389	2	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]N[6])	122.6238	0.371	6	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]N[6])	120.8430	0.000	1	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.6560	0.000	1	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6a]N[6])	121.3647	0.222	3	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.2007	0.410	3	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6])	121.5800	0.000	1	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.0050	0.000	1	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	120.8240	0.000	1	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.3002	0.669	9	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	120.7400	0.059	2	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	122.6780	0.000	1	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.4910	0.419	3	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.2590	0.000	1	121.8786	0.767	45	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	123.2690	0.000	1	123.0685	1.440	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	124.3700	0.000	1	123.0685	1.440	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	123.9185	0.046	2	123.0685	1.440	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	123.9970	0.212	2	123.0685	1.440	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	123.5720	0.000	1	123.0685	1.440	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.7600	0.235	2	123.0685	1.440	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.4020	0.000	1	123.0685	1.440	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.0552	0.222	6	123.0685	1.440	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	124.6687	0.429	3	123.0685	1.440	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	123.6520	0.000	1	123.6520	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.5810	1.170	2	121.5810	1.368	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.5330	0.000	1	121.5330	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6])	121.2020	0.023	2	121.2020	0.001	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.1530	0.000	1	121.2121	0.378	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|F<1>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.5425	0.138	2	121.2121	0.378	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[6,6a]N[6])	120.9650	0.000	1	121.2121	0.378	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6])	121.4730	0.000	1	121.2121	0.378	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[6,6a]N[6])	121.0640	0.035	2	121.2121	0.378	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	121.1380	0.141	2	121.2121	0.378	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	120.7020	0.908	3	121.2121	0.378	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.8160	0.000	1	121.2121	0.378	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[6,6a]N[6])	121.2190	0.000	1	121.2121	0.378	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.1100	0.000	1	121.2121	0.378	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[6,6a]N[6])	120.9245	0.206	4	121.2121	0.378	19	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	122.4410	0.121	3	122.6158	0.821	28	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	123.1350	0.000	1	122.6158	0.821	28	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.1750	0.000	1	122.6158	0.821	28	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	122.1675	0.087	8	122.6158	0.821	28	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	122.6910	0.000	1	122.6158	0.821	28	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6])	126.9370	0.000	1	122.6158	0.821	28	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	122.5824	0.321	10	122.6158	0.821	28	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.6057	0.385	3	122.6158	0.821	28	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]N[6]O){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	124.8100	0.000	1	124.8100	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	122.4340	0.000	2	122.4340	0.000	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	126.4960	0.000	1	124.9106	5.539	8	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	123.4100	0.000	1	124.9106	5.539	8	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	125.9110	0.000	1	124.9106	5.539	8	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	O(C[6]C[6,6a]N[6])	125.6570	3.540	3	124.9106	5.539	8	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	123.2485	0.861	2	124.9106	5.539	8	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ni)(O){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Ni<6>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	120.4870	0.000	1	120.4870	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]N[6]O){1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6])	125.2880	0.000	1	125.2880	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	124.6020	0.000	1	123.2357	0.914	10	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6])	123.8937	0.673	3	123.2357	0.914	10	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	123.0365	0.919	2	123.2357	0.914	10	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	122.1490	0.000	1	123.2357	0.914	10	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.8890	0.000	1	123.2357	0.914	10	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]N[6])	123.2120	0.000	1	123.2357	0.914	10	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	122.7510	0.000	1	123.2357	0.914	10	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]N[6])	126.0140	0.000	1	126.0140	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]O){1|S<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6])	124.5690	0.000	1	124.5690	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	123.6975	2.266	2	123.2574	1.188	7	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	123.1760	0.000	1	123.2574	1.188	7	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.8193	0.615	3	123.2574	1.188	7	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	123.7730	0.000	1	123.2574	1.188	7	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	122.9840	0.520	2	122.9840	0.271	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	123.2272	0.283	4	122.5204	1.564	9	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6])	123.4040	0.024	2	122.5204	1.564	9	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	121.5240	0.000	1	122.5204	1.564	9	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6])	120.7215	1.115	2	122.5204	1.564	9	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.8890	0.000	1	122.5777	1.545	7	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	124.3360	0.000	1	122.5777	1.545	7	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	124.3250	0.000	1	122.5777	1.545	7	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.7565	0.255	2	122.5777	1.545	7	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.4670	0.000	1	122.5777	1.545	7	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	122.5140	0.000	1	122.5777	1.545	7	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.0880	0.000	1	120.9418	0.178	9	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|S<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	120.9684	0.463	7	120.9418	0.178	9	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|S<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	120.6090	0.000	1	120.9418	0.178	9	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|Se<2>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]N[6]O){2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	120.8880	0.000	1	120.8880	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	120.6550	0.000	1	120.6550	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.9940	0.000	1	123.5980	0.730	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O){1|Ru<10>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Ru<10>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	124.2020	0.000	1	123.5980	0.730	2	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]O[6])(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.7730	0.000	1	122.7730	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[5,6]C)(O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[5,6]C)(O){1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.2600	0.000	1	121.2600	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O){1|Pd<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	122.6390	0.133	2	122.2193	0.485	4	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O){1|Ru<9>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.1940	0.000	1	122.2193	0.485	4	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O){1|Se<1>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	122.4050	0.000	1	122.2193	0.485	4	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.6260	0.000	1	121.6260	0.000	1	122.3107	1.628	282	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	123.2600	0.000	1	123.2600	0.000	1	123.2600	0.000	1	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a]H)(O)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a]H)(O){1|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.1610	0.000	1	122.1610	0.000	1	120.5617	2.093	3	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]C)(O)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	119.3440	0.000	1	119.3440	0.000	1	120.5617	2.093	3	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]H)(O)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6])	120.1800	0.000	1	120.1800	0.000	1	120.5617	2.093	3	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	N[5,6,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6,6]O)(C[6a]C[6a]H)	O(C[6]N[5,6,6]C[6,6a])	C[6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]N[5,6,6]C[6,6a])	122.4370	0.000	1	122.4370	0.000	1	122.4370	0.000	1	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	N[5,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5,6])	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[5,6])	123.1230	0.000	1	122.3660	1.146	2	122.4297	0.405	4	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	N[5,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5,6])	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]N[5,6])	121.6090	0.000	1	122.3660	1.146	2	122.4297	0.405	4	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	N[5,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5,6])	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[5,6])	122.4935	0.233	2	122.4935	0.054	2	122.4297	0.405	4	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5a,6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[5a,6])	124.5190	0.000	1	124.5190	0.000	1	123.7400	1.214	2	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5a,6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[5a,6])	122.9610	0.000	1	122.9610	0.000	1	123.7400	1.214	2	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	N[6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]F)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<6>,1|F<1>,2|C<3>,4|B<6>}	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]F)(C[6]N[6]O){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	O(C[6]C[6,6a]N[6])	121.1870	0.000	1	121.1870	0.000	1	120.1357	0.892	3	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	N[6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]C[6,6a]N[6])	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[6,6a](C[6,6a]B[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	O(C[6]C[6,6a]N[6])	119.6100	0.356	2	119.6100	0.127	2	120.1357	0.892	3	121.6543	2.364	3186	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:2:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[5,6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(O){1|H<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]O){1|N<3>,2|C<4>,4|C<3>}	O(C[6]C[6,6a]C[6])	121.3903	0.664	3	121.3903	0.441	3	121.3903	0.441	3	121.8678	1.900	5	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:2:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl2)(O){2|Cl<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6,6a]C[6])	124.1660	0.000	1	124.1660	0.000	1	122.5840	5.005	2	121.8678	1.900	5	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:2:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.0020	0.000	1	121.0020	0.000	1	122.5840	5.005	2	121.8678	1.900	5	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]Br)(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[3,6])	121.2210	0.407	3	121.2210	0.166	3	121.7794	1.356	11	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O){1|Br<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[3,6])	122.0053	0.517	3	121.9035	0.220	4	121.7794	1.356	11	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[3,6])	121.5980	0.000	1	121.9035	0.220	4	121.7794	1.356	11	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[3,6])	119.7440	0.000	1	120.7355	1.966	2	121.7794	1.356	11	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O){2|Br<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[3,6])	121.7270	0.000	1	120.7355	1.966	2	121.7794	1.356	11	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[3,6])	122.3900	0.000	1	122.3900	0.000	1	121.7794	1.356	11	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[3,6])	124.4350	0.000	1	124.4350	0.000	1	121.7794	1.356	11	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[3,6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[3,6]O)	O(C[6]C[6,6a]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]O)(O){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[3,6]O){1|C<3>,1|C<4>,1|H<1>,5|O<2>}	O(C[6]C[6,6a]C[3,6])	122.6317	0.062	8	122.6317	0.004	8	122.6317	0.004	8	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3x6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2C)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[3x6])	123.6275	0.093	2	123.6275	0.009	2	121.2559	2.360	9	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3x6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2C[6])(O){2|C<3>,5|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[3x6])	120.2220	0.000	1	120.2220	0.000	1	121.2559	2.360	9	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3x6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)(O){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[3x6])	119.9710	0.443	2	119.9710	0.196	2	121.2559	2.360	9	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[3x6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2H)(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[3x6])	120.6805	0.009	2	120.6805	0.000	2	121.2559	2.360	9	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3x6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])(O){2|C<3>,5|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[3x6])	120.1670	0.000	1	120.1670	0.000	1	121.2559	2.360	9	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[3x6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3x6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2O[6])(O){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|O<2>}	O(C[6]C[6,6a]C[3x6])	122.3560	0.000	1	122.3560	0.000	1	121.2559	2.360	9	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[4,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[4,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[4,6])	122.5700	0.000	1	122.5700	0.000	1	122.8847	0.506	24	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[4,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[4,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[4,6])	123.2955	0.505	13	123.2395	0.224	17	122.8847	0.506	24	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[4,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[4,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[4,6])	123.0572	0.336	4	123.2395	0.224	17	122.8847	0.506	24	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[4,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[4,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]Cl)(O){1|Cl<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[4,6])	121.7303	0.248	3	121.9322	0.074	6	122.8847	0.506	24	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[4,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[4,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]Cl)(O){1|Cl<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[4,6])	122.1340	0.048	3	121.9322	0.074	6	122.8847	0.506	24	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[4x6]-4:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[4x6]C[3x6]C[6,6]2)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[4x6]O)	O(C[6]C[6,6a]C[4x6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[4x6]C[3x6]C[6,6]2)(O){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[4x6]O){2|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[4x6])	124.3660	0.000	1	124.3660	0.000	1	124.3660	0.000	1	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(O)	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[6,6a]C[5,6])	122.1690	0.247	2	122.1690	0.061	2	122.1690	0.061	2	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O)	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O){7|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,8|C<3>}	O(C[6]C[6,6a]C[5,6])	121.4100	0.000	1	121.4100	0.000	1	121.4100	0.000	1	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]O)(O)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]O)(O){1|H<1>,2|C<3>,4|C<4>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	O(C[6]C[6,6a]C[5,6])	122.3420	0.000	1	122.3420	0.000	1	122.3420	0.000	1	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5a,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O)	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[5a,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O){7|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,8|C<3>}	O(C[6]C[6,6a]C[5,6])	121.9190	0.000	1	121.9190	0.000	1	121.9190	0.000	1	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]C)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]2H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]C){2|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6a]C[5,6])	124.1020	0.303	2	124.1020	0.092	2	123.4898	0.623	4	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(O)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]C)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6]C[5,6]O)(C[6a]C[6a]C){2|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	122.8775	0.528	2	122.8775	0.279	2	123.4898	0.623	4	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[5,6]H)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(C[6a]O[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[5,6]H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(C[6a]O[6a]H){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]C[5,6])	121.9795	1.173	2	121.9795	1.376	2	121.9795	1.376	2	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	123.0330	0.000	1	123.0330	0.000	1	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	122.3800	0.000	1	122.3800	0.000	1	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	123.8360	0.144	2	123.7544	1.636	5	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Si<4>,1|C<2>,1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	124.7390	0.160	2	123.7544	1.636	5	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	121.6220	0.000	1	123.7544	1.636	5	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[6,6a]C[5,6])	123.5025	0.627	2	123.5025	0.393	2	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]Cl)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]Cl)(O){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[5,6])	124.2950	0.000	1	124.2950	0.000	1	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	120.8040	0.000	1	121.0053	0.209	4	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	121.1590	0.000	1	121.0053	0.209	4	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	121.5590	0.000	1	121.0053	0.209	4	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	120.4990	0.000	1	121.0053	0.209	4	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	122.8045	0.056	2	122.9442	0.051	4	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	122.8940	0.000	1	122.9442	0.051	4	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	123.2740	0.000	1	122.9442	0.051	4	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6a]C[5,6])	122.1563	1.033	6	122.1563	1.067	6	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]C[5,6])	122.9350	0.000	1	122.9350	0.000	1	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[5,6])	124.3080	0.088	2	124.3080	0.008	2	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]C)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]C){2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]C[5,6])	125.6200	0.000	1	125.6200	0.000	1	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]Br)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]Br)(O){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	124.8190	0.000	1	124.8190	0.000	1	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|N<2>,1|S<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	120.9095	0.323	2	121.2031	0.523	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	121.9910	0.000	1	121.2031	0.523	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	121.0270	0.000	1	121.2031	0.523	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	119.9840	0.000	1	121.2031	0.523	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	121.8005	0.108	2	121.2031	0.523	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	121.4490	0.000	1	121.5930	0.041	2	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	121.7370	0.000	1	121.5930	0.041	2	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[5,6])	121.1820	0.000	1	121.1820	0.000	1	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[5,6])	122.1418	0.160	5	122.4436	0.579	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	124.1400	0.000	1	122.4436	0.579	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){2|N<3>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	O(C[6]C[6,6a]C[5,6])	122.2560	0.000	1	122.4436	0.579	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<2>,1|S<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[5,6])	120.5830	0.000	1	120.5830	0.000	1	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	123.3350	0.635	2	122.2752	1.849	4	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	120.6450	0.000	1	122.2752	1.849	4	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	121.7860	0.000	1	122.2752	1.849	4	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	123.0000	0.000	1	123.0000	0.000	1	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	122.4420	0.000	1	122.1586	0.199	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6a]C[5,6])	121.4780	0.000	1	122.1586	0.199	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	122.1865	0.402	2	122.1586	0.199	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	122.7850	0.000	1	122.1586	0.199	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	121.8480	0.000	1	122.1586	0.199	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	122.1840	0.000	1	122.1586	0.199	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	123.7370	0.065	2	123.5767	0.266	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	122.9790	0.000	1	123.5767	0.266	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	122.9910	0.000	1	123.5767	0.266	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	123.8643	0.544	3	123.5767	0.266	7	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[5]N[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[5]N[6])(O){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	122.0240	0.000	1	122.0240	0.000	1	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]O[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]O[5])(O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	122.4450	0.000	1	122.4450	0.000	1	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	121.6740	0.000	1	121.8320	0.050	2	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[5]S[6])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	121.9900	0.000	1	121.8320	0.050	2	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]2)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]2)(O){1|H<1>,2|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	121.8080	0.000	1	121.8080	0.000	1	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	121.8080	0.000	1	121.8080	0.000	1	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	122.5240	0.000	1	122.4765	0.005	2	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O(C[6]C[6,6a]C[5,6])	122.4290	0.000	1	122.4765	0.005	2	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]O[5]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]O[5]2)(O){1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]C[5,6])	123.7580	0.000	1	123.7580	0.000	1	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	O(C[6]C[6,6a]C[5,6])	124.6870	0.000	1	124.6870	0.000	1	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	124.2740	0.000	1	124.2740	0.000	1	122.5761	1.489	77	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	122.1670	0.754	2	122.1670	0.568	2	122.0777	0.634	6	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6])	122.0140	0.000	1	122.0140	0.000	1	122.0777	0.634	6	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[5,6])	121.4200	0.525	2	121.4200	0.275	2	122.0777	0.634	6	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[5,6]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	123.2780	0.000	1	123.2780	0.000	1	122.0777	0.634	6	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[5]C[6])(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[5,6]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[5]C[6])(O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[5,6]O){2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[6,6a]C[5,6])	123.8640	0.000	1	123.8640	0.000	1	123.8640	0.000	2	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]O)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]O)(O){2|C<4>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]O){1|Br<1>,1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	123.8640	0.000	1	123.8640	0.000	1	123.8640	0.000	2	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6,6a]C[6,6])	121.6400	0.000	1	121.6400	0.000	1	121.6400	0.000	1	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]N[6]2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]N[6]2)(O){1|H<1>,1|O<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|H<1>,2|N<3>,4|C<3>}	O(C[6]C[6,6a]C[6,6])	122.1495	0.309	2	122.1495	0.095	2	122.1495	0.095	2	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(O)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O){1|H<1>,3|C<4>,4|C<3>}	O(C[6]C[6,6a]C[6,6])	123.9800	0.000	1	123.9800	0.000	1	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	122.1260	0.000	1	122.1260	0.000	1	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2Br)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2Br)(O){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[6]C[6,6a]C[6,6])	121.4820	0.000	1	121.4820	0.000	1	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[6,6])	120.6940	0.000	1	120.6990	0.000	2	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(O){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	120.7040	0.000	1	120.6990	0.000	2	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	121.0460	0.000	1	120.7810	0.140	2	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	120.5160	0.000	1	120.7810	0.140	2	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	120.8180	0.288	2	120.8180	0.083	2	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6,6])	121.0360	0.000	1	120.8085	0.104	2	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O){2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]C[6,6])	120.5810	0.000	1	120.8085	0.104	2	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(O){1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	122.6420	0.000	1	122.6420	0.000	1	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[6,6])	120.6617	0.730	3	120.7602	0.394	4	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]C[6,6])	121.0560	0.000	1	120.7602	0.394	4	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6a]C[6,6])	124.3440	0.000	1	124.3440	0.000	1	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[6]C[6,6a]C[6,6])	122.9760	0.000	1	122.9760	0.000	1	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	122.9280	0.000	1	122.9280	0.000	1	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]F)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]F)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	124.3840	0.000	1	124.3840	0.000	1	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	121.9500	0.229	2	121.2735	0.304	14	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	121.2628	0.222	6	121.2735	0.304	14	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6,6])	121.8720	0.000	2	121.2735	0.304	14	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6,6])	121.0640	0.000	1	121.2735	0.304	14	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6,6])	120.6520	0.365	2	121.2735	0.304	14	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	120.2400	0.000	1	121.2735	0.304	14	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|Br<1>,1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	123.5450	0.000	1	121.7428	0.658	8	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6,6])	121.1050	0.154	2	121.7428	0.658	8	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	121.9475	0.165	2	121.7428	0.658	8	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6,6])	121.4190	0.000	1	121.7428	0.658	8	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6,6])	121.6780	0.000	1	121.7428	0.658	8	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6,6])	121.1950	0.000	1	121.7428	0.658	8	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	123.9010	0.000	2	123.9010	0.000	2	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	122.4535	0.033	2	122.8639	0.481	12	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	123.1288	0.552	5	122.8639	0.481	12	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[6,6])	122.8750	0.674	3	122.8639	0.481	12	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[6,6])	123.6750	0.000	1	122.8639	0.481	12	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	121.5160	0.000	1	122.8639	0.481	12	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]O[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]O[6a]O){1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6,6a]C[6,6])	123.6910	0.000	1	123.6910	0.000	1	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|O<2>}	O(C[6]C[6,6a]C[6,6])	121.7730	0.000	1	121.7730	0.000	1	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){1|H<1>,1|S<2>,2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	122.9000	0.526	2	122.5320	0.545	3	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){1|H<1>,2|C<4>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	121.7960	0.000	1	122.5320	0.545	3	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	123.3477	0.364	3	123.4585	0.138	4	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){1|H<1>,2|C<4>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	123.7910	0.000	1	123.4585	0.138	4	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	O(C[6]C[6,6a]C[6,6])	121.7620	0.270	2	121.7620	0.073	2	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	122.4963	0.213	3	122.2835	0.166	6	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	O(C[6]C[6,6a]C[6,6])	121.8360	0.372	2	122.2835	0.166	6	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]S)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	122.5400	0.000	1	122.2835	0.166	6	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|O<2>}	O(C[6]C[6,6a]C[6,6])	121.8620	0.000	1	122.0630	0.081	2	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(O){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	122.2640	0.000	1	122.0630	0.081	2	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]C[6,6])	123.7940	0.929	3	123.7940	0.862	3	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(O){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|O<2>}	O(C[6]C[6,6a]C[6,6])	124.7240	0.000	2	124.7240	0.000	2	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>,4|O<2>}	O(C[6]C[6,6a]C[6,6])	121.5500	0.000	1	121.5500	0.000	1	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6,6])	123.2310	0.000	1	121.9520	1.263	3	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	121.1220	0.000	1	121.9520	1.263	3	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(O){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6,6])	121.5030	0.000	1	121.9520	1.263	3	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	121.7690	0.171	2	121.1721	0.312	8	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6,6])	120.5860	0.000	1	121.1721	0.312	8	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|N<3>,1|S<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6,6])	121.8440	0.000	1	121.1721	0.312	8	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6,6])	121.0245	0.240	2	121.1721	0.312	8	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6,6])	120.6800	0.253	2	121.1721	0.312	8	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]C)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(O){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[6,6])	122.3550	0.000	1	122.3550	0.000	1	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]N)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]2)(O){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]N){2|C<3>,2|N<3>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	122.3440	0.000	1	122.3440	0.000	1	122.1129	1.357	94	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	121.5730	0.000	1	121.5730	0.000	1	121.5730	0.000	1	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	B[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(O){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.1380	0.000	1	123.1380	0.000	1	123.1380	0.000	1	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.6020	0.000	1	121.6020	0.000	1	122.9600	3.688	2	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	124.3180	0.000	1	124.3180	0.000	1	122.9600	3.688	2	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]ClH)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]ClH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,3|O<2>}	O(C[6]C[6,6a]C[6])	121.7580	0.000	1	121.7580	0.000	1	122.0785	0.411	4	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	O(C[6]C[6,6a]C[6])	121.7290	0.000	1	121.7290	0.000	1	122.0785	0.411	4	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.0390	0.000	1	123.0390	0.000	1	122.0785	0.411	4	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.7880	0.000	1	121.7880	0.000	1	122.0785	0.411	4	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6,6a]C[6a]C)(O)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6,6a]C[6a]C)(O){7|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6]C[6]O){1|C<4>,8|C<3>}	O(C[6]C[6,6a]C[6])	120.0980	0.000	1	120.0980	0.000	1	120.0980	0.000	1	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5,6,6]HO)(O)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5,6,6]HO)(O){1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	122.5590	0.601	3	122.5590	0.361	3	123.1466	1.317	7	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]Cl2)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]Cl2)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	124.0830	0.000	1	124.0830	0.000	1	123.1466	1.317	7	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	121.6090	0.000	1	121.6090	0.000	1	123.1466	1.317	7	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]OO)(O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]OO)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,2|O<2>,4|C<3>}	O(C[6]C[6,6a]C[6])	124.3285	0.327	2	124.3285	0.107	2	123.1466	1.317	7	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	O(C[6]C[6,6a]C[6])	121.8560	0.252	2	121.8560	0.063	2	123.2872	1.798	6	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(O){2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<3>,4|C<4>,6|H<1>}	O(C[6]C[6,6a]C[6])	123.5783	0.557	3	123.5783	0.310	3	123.2872	1.798	6	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]OO)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]OO)(O){1|C<4>,2|F<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	125.2760	0.000	1	125.2760	0.000	1	123.2872	1.798	6	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]BrH)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]BrH)(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.3800	0.000	1	123.3800	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.9430	0.000	1	121.9430	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(O){1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	124.3090	0.000	1	124.3090	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	119.5235	0.414	2	119.5235	0.171	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.7040	0.000	1	122.7040	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.4980	0.000	1	122.4980	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	123.1820	0.000	1	123.1820	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6])	122.4630	0.000	1	121.6425	1.346	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	120.8220	0.000	1	121.6425	1.346	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6])	122.2520	0.000	1	121.5588	0.221	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.3855	0.308	4	121.5588	0.221	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.2830	0.000	1	121.2830	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]F)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]F)(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.9330	0.000	1	122.9330	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.6870	0.000	1	121.6870	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]N)(O){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.5510	0.000	1	123.5510	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	123.0330	0.000	1	123.0330	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(O){1|C<4>,2|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>}	O(C[6]C[6,6a]C[6])	123.8320	0.000	1	123.8320	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.8110	0.000	1	123.8110	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6a]C[6])	122.1400	0.318	4	122.1400	0.101	4	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[6])	121.4400	0.000	1	121.4400	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.0200	0.000	1	122.0200	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.7430	0.000	1	121.7430	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.2950	0.000	1	121.4544	0.326	7	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6a]C[6])	121.6540	0.000	1	121.4544	0.326	7	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.2960	0.000	1	121.4544	0.326	7	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	120.7640	0.277	2	121.4544	0.326	7	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.5920	0.000	1	121.4544	0.326	7	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|H<1>,4|C<4>}	O(C[6]C[6,6a]C[6])	121.8160	0.000	1	121.4544	0.326	7	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6a]C[6])	121.7353	1.182	4	122.0894	1.675	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.5060	0.000	1	122.0894	1.675	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[6,6a]C[6])	121.0610	0.000	1	121.0610	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.2077	0.246	3	122.4278	0.234	4	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.0880	0.000	1	122.4278	0.234	4	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(O){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	O(C[6]C[6,6a]C[6])	124.7200	0.000	1	124.7200	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O){5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6])	124.5040	0.000	1	124.5040	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	123.1430	0.181	4	123.1430	0.033	4	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]2)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]2)(O){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6])	121.3430	0.000	1	121.3430	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(O){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	123.7730	0.000	1	123.7730	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]C)(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	121.5290	0.000	1	121.5290	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2C)(O){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	120.6430	0.000	1	120.6430	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6])	120.8361	0.262	7	120.8361	0.068	7	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O){1|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	120.4590	0.000	1	120.4590	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.6500	0.000	1	123.6100	0.003	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrC)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.5700	0.000	1	123.6100	0.003	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[6])	122.5620	0.000	1	122.5620	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.6120	0.000	1	123.6120	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	120.6810	0.000	1	120.6810	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	117.5880	0.000	1	120.9628	1.379	13	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.2390	0.526	10	120.9628	1.379	13	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	120.3440	0.000	1	120.9628	1.379	13	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	122.1950	0.000	1	120.9628	1.379	13	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	124.3830	0.035	2	123.9831	0.708	10	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	124.4280	0.000	1	123.9831	0.708	10	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	124.9465	0.120	2	123.9831	0.708	10	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<4>,3|C<3>}	O(C[6]C[6,6a]C[6])	122.3420	0.000	1	123.9831	0.708	10	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.4680	0.215	2	123.9831	0.708	10	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.7330	0.767	2	123.9831	0.708	10	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|H<1>,2|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	126.4640	0.000	1	126.4640	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[6])	120.0680	0.000	1	120.0680	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	120.5795	0.223	2	120.5795	0.050	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.5065	0.022	2	122.5065	0.000	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,1|S<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.1600	0.000	1	123.1600	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	125.0680	0.000	1	125.0680	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|H<1>,4|C<4>}	O(C[6]C[6,6a]C[6])	122.0590	0.000	1	122.0590	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	120.4575	0.312	2	120.9267	0.360	10	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6])	120.9333	0.627	6	120.9267	0.360	10	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	O(C[6]C[6,6a]C[6])	121.7840	0.000	1	120.9267	0.360	10	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	120.9680	0.000	1	120.9267	0.360	10	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	123.4570	0.000	1	122.5275	1.728	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.5980	0.000	1	122.5275	1.728	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|H<1>,4|C<4>}	O(C[6]C[6,6a]C[6])	123.6150	0.069	2	123.6150	0.005	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[6])	121.5760	0.000	1	122.6354	0.328	7	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.9160	0.000	1	122.6354	0.328	7	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.9500	0.217	4	122.6354	0.328	7	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.1560	0.000	1	122.6354	0.328	7	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(O){1|Se<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	119.4785	0.842	2	119.4785	0.709	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.7200	0.000	1	122.8198	0.715	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	123.5210	0.000	1	122.8198	0.715	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.2140	0.000	1	122.8198	0.715	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.9120	0.000	1	122.8198	0.715	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.7320	0.000	1	122.8198	0.715	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	121.6850	0.000	1	122.3323	0.417	3	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.6560	0.454	2	122.3323	0.417	3	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.1130	0.000	1	122.5590	0.293	15	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.2812	0.565	4	122.5590	0.293	15	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.2060	0.000	1	122.5590	0.293	15	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.8390	0.000	1	122.5590	0.293	15	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	123.0765	1.091	2	122.5590	0.293	15	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.4398	0.337	4	122.5590	0.293	15	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,3|O<2>}	O(C[6]C[6,6a]C[6])	122.5950	0.122	2	122.5590	0.293	15	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]C[6])	123.8510	0.000	1	123.8510	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.6385	0.375	2	123.6385	0.141	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.3760	0.000	1	123.3760	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.7350	0.000	1	122.7350	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	123.5720	0.188	2	123.5533	0.019	3	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.5160	0.000	1	123.5533	0.019	3	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl2)(O){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[6,6a]C[6])	124.2890	0.000	1	124.2890	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.3520	0.000	1	122.0195	0.891	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.6870	0.000	1	122.0195	0.891	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(O){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|F<1>}	O(C[6]C[6,6a]C[6])	123.3440	0.000	1	123.3440	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|F<1>,2|H<1>}	O(C[6]C[6,6a]C[6])	125.5010	0.000	1	125.5010	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,1|F<1>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.6340	0.000	1	122.6340	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.9490	0.000	1	121.9490	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	120.9590	0.473	4	120.9590	0.224	4	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.3024	0.587	7	122.3024	0.344	7	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.9920	0.361	4	122.9920	0.130	4	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6])	121.6805	0.375	4	121.6805	0.141	4	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.2720	0.000	1	122.2720	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	123.2540	0.023	2	123.2540	0.001	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	121.8370	0.000	1	121.8370	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	O(C[6]C[6,6a]C[6])	121.2285	0.846	2	121.2285	0.716	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[6,6a]C[6])	120.5810	0.483	6	121.0278	0.657	26	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	O(C[6]C[6,6a]C[6])	120.6467	1.249	7	121.0278	0.657	26	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.1500	0.000	1	121.0278	0.657	26	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	121.1470	0.403	2	121.0278	0.657	26	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.2290	0.000	1	121.0278	0.657	26	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	121.0400	0.000	1	121.0278	0.657	26	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[6,6a]C[6])	121.6940	0.000	1	121.0278	0.657	26	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	O(C[6]C[6,6a]C[6])	121.7000	0.000	1	121.0278	0.657	26	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	121.7180	0.000	1	121.0278	0.657	26	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.8420	0.000	1	121.0278	0.657	26	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.9460	0.000	1	121.0278	0.657	26	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.3653	0.342	3	121.0278	0.657	26	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[6,6a]C[6])	120.6910	0.000	1	121.9242	1.533	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[6,6a]C[6])	121.5325	0.080	2	121.9242	1.533	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6])	123.9970	0.000	1	121.9242	1.533	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[6,6a]C[6])	121.8680	0.000	1	121.9242	1.533	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.2010	0.000	1	121.8235	0.285	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.4460	0.000	1	121.8235	0.285	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	123.0430	0.122	2	123.0430	0.015	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	124.2930	0.000	1	122.8400	0.776	8	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	123.2510	0.000	1	122.8400	0.776	8	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6])	122.5293	0.717	6	122.8400	0.776	8	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	121.7260	0.000	1	121.7260	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<2>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.3840	0.000	1	123.3840	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.7985	0.548	2	122.5877	0.211	19	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.6960	0.000	1	122.5877	0.211	19	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.3250	0.000	1	122.5877	0.211	19	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.5840	0.414	2	122.5877	0.211	19	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.9413	0.136	3	122.5877	0.211	19	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.7470	0.000	1	122.5877	0.211	19	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.3855	0.125	2	122.5877	0.211	19	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.3880	0.000	1	122.5877	0.211	19	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.5000	0.000	1	122.5877	0.211	19	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.8040	0.245	4	122.5877	0.211	19	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.9340	0.000	1	122.5877	0.211	19	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.6220	0.000	1	123.2257	0.724	17	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.8620	0.418	3	123.2257	0.724	17	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.1160	0.000	1	123.2257	0.724	17	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.9193	1.258	3	123.2257	0.724	17	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	123.0805	0.543	4	123.2257	0.724	17	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[6])	123.0600	0.557	2	123.2257	0.724	17	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.5920	0.310	2	123.2257	0.724	17	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	125.1290	0.000	1	123.2257	0.724	17	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.1200	0.000	1	120.9320	0.029	3	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|S<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	O(C[6]C[6,6a]C[6])	120.8380	0.076	2	120.9320	0.029	3	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|N<2>,1|N<3>,3|C<4>}	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.1335	0.573	2	122.1335	0.329	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,1|N<3>,4|C<4>}	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.8150	0.495	2	122.8150	0.245	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,1|N<3>,3|C<4>}	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.4510	0.000	1	121.4510	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.1550	0.258	5	121.1550	0.067	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.6280	0.140	2	120.9453	0.640	4	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	120.2625	0.189	2	120.9453	0.640	4	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	120.5990	0.000	1	120.5448	0.068	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	120.5312	0.300	4	120.5448	0.068	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|N<2>,1|N<3>,3|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.8510	0.000	1	122.8510	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.1760	0.000	1	122.6153	0.323	3	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	123.2570	0.000	1	122.6153	0.323	3	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.4130	0.000	1	122.6153	0.323	3	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	120.8770	0.000	1	121.1365	0.115	4	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6])	121.2230	0.358	3	121.1365	0.115	4	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6])	122.5825	0.893	2	122.5825	0.798	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	122.7015	0.390	2	122.7015	0.152	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.3530	0.000	1	123.3530	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6])	124.2964	0.513	7	124.2531	0.240	8	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(O){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.9500	0.000	1	124.2531	0.240	8	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.8910	0.000	1	122.8910	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.9947	0.322	3	123.9388	0.280	12	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.0560	0.000	1	123.9388	0.280	12	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	O(C[6]C[6,6a]C[6])	124.1330	0.000	1	123.9388	0.280	12	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.8390	0.000	1	123.9388	0.280	12	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(O){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	124.2090	0.284	6	123.9388	0.280	12	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeC)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Se<2>,1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	124.8605	1.793	2	124.8605	3.213	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O){1|H<1>,1|N<2>,1|S<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6])	123.3570	0.000	1	123.3570	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	117.4340	0.000	1	122.0603	4.273	7	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6])	122.8313	0.366	6	122.0603	4.273	7	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]F)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]F)(O){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.9555	0.040	2	122.9555	0.002	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]F)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]F)(O){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	124.3260	0.000	1	124.3260	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	120.9045	0.459	2	120.9045	0.211	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.3500	0.000	1	122.6215	1.061	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	121.8930	0.000	1	122.6215	1.061	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(O){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.4880	0.520	4	122.4880	0.271	4	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	122.3970	0.000	1	122.3970	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	123.2448	0.588	4	122.9730	0.629	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.8860	0.000	1	122.9730	0.629	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	O(C[6]C[6,6a]C[6])	124.1030	0.000	1	124.1030	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	122.9570	0.031	2	123.2237	0.127	4	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.7100	0.000	1	123.2237	0.127	4	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(O){2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Br<1>,1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6])	123.2710	0.000	1	123.2237	0.127	4	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6])	122.0770	0.000	1	122.0770	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]N)(O){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	O(C[6]C[6,6a]C[6])	122.7065	0.506	2	122.7065	0.256	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]O)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]O)(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6])	122.3370	0.000	1	122.3370	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]O)(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]O)(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,3|C<3>,3|O<2>}	O(C[6]C[6,6a]C[6])	122.3470	0.000	2	122.3470	0.000	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CO)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CO)(O){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[6])	121.6190	0.000	1	121.6190	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	122.8120	0.000	1	122.8120	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.7870	0.000	1	121.5490	0.113	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(O){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.3110	0.000	1	121.5490	0.113	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	O(C[6]C[6,6a]C[6])	122.4580	0.000	1	122.4580	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	123.7060	0.000	1	123.7060	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(O){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6])	123.2910	0.000	1	123.2910	0.000	1	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Br2)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Br2)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Br<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	123.7280	0.000	1	123.7080	0.001	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Br2)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Br2)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){3|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	O(C[6]C[6,6a]C[6])	123.6880	0.000	1	123.7080	0.001	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Cl2)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Cl2)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	O(C[6]C[6,6a]C[6])	123.6570	0.000	1	123.9505	0.172	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Cl2)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]Cl2)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	O(C[6]C[6,6a]C[6])	124.2440	0.000	1	123.9505	0.172	2	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	O(C[6]C[6,6a]C[6])	122.2610	0.052	2	122.5900	0.104	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.8093	0.160	3	122.5900	0.104	5	122.3400	1.655	378	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]FF)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]FF)(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]O){1|C<4>,1|O<2>,2|F<1>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6])	126.3040	0.000	1	126.3040	0.000	1	123.3716	1.350	20	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|N<2>,2|C<3>,3|C<4>}	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	122.7760	0.000	1	122.7760	0.000	1	123.3716	1.350	20	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	124.3498	0.175	4	124.3498	0.030	4	123.3716	1.350	20	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	123.3400	0.000	1	123.3400	0.000	1	123.3716	1.350	20	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	122.0970	0.000	1	122.1010	0.000	2	123.3716	1.350	20	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	122.1050	0.000	1	122.1010	0.000	2	123.3716	1.350	20	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	122.9677	0.242	3	122.7112	0.164	5	123.3716	1.350	20	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	122.4790	0.000	1	122.7112	0.164	5	123.3716	1.350	20	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	122.1740	0.000	1	122.7112	0.164	5	123.3716	1.350	20	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	122.4130	0.000	1	122.6165	0.123	4	123.3716	1.350	20	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6])	122.6843	0.396	3	122.6165	0.123	4	123.3716	1.350	20	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(O)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(O){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	124.1690	0.000	1	124.1690	0.000	1	123.3716	1.350	20	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(O)	C[6,6a](C[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(O){1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6])	125.2200	0.000	1	125.2200	0.000	1	123.3716	1.350	20	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a]C[6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){3|C<3>,3|C<4>}	C[6,6a](C[6a]C[6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,2|S<2>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.4620	0.000	1	121.4620	0.000	1	121.8985	0.066	6	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	122.0460	0.000	1	122.0460	0.000	1	121.8985	0.066	6	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	O(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|C<3>,3|C<4>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6])	121.9708	0.177	4	121.9708	0.031	4	121.8985	0.066	6	122.3820	1.561	672	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[3,3x6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3,3x6]C[3,6,6]C[5,4x6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,3x6]O)(C[6a]C[6a]H)	O(C[6]C[3,3x6]C[6,6a])	C[6](C[3,3x6]C[3,6,6]C[5,4x6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,3x6]C[6,6a])	124.2820	0.356	2	124.2820	0.127	2	124.2820	0.127	2	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[5,5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	O(C[6]C[3,5,6]C[6,6a])	C[6](C[3,5,6]C[3,5,6]C[5,5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O(C[6]C[3,5,6]C[6,6a])	123.1330	0.000	1	123.1330	0.000	1	123.1210	0.569	7	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	O(C[6]C[3,5,6]C[6,6a])	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,5,6]C[6,6a])	124.0600	0.000	1	122.9493	0.794	4	123.1210	0.569	7	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	O(C[6]C[3,5,6]C[6,6a])	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,5,6]C[6,6a])	122.7625	0.730	2	122.9493	0.794	4	123.1210	0.569	7	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	O(C[6]C[3,5,6]C[6,6a])	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,5,6]C[6,6a])	122.2120	0.000	1	122.9493	0.794	4	123.1210	0.569	7	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	O(C[6]C[3,5,6]C[6,6a])	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,5,6]C[6,6a])	122.8720	0.000	1	122.8720	0.000	1	123.1210	0.569	7	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]O)	O(C[6]C[3,5,6]C[6,6a])	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[3,5,6]C[6,6a])	124.0450	0.000	1	124.0450	0.000	1	123.1210	0.569	7	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[3,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3,6])	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(O){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[3,6])	120.3810	0.000	1	120.3810	0.000	1	122.3615	7.845	2	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[3,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[6a]N[3])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]C)	O(C[6]C[6,6a]C[3,6])	C[6](C[3,6]C[3,6]C[6a]N[3])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[3,6])	124.3420	0.000	1	124.3420	0.000	1	122.3615	7.845	2	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[3x6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3x6])	C[6](C[3x6]C[3x6]C[4x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[3x6])	121.6580	0.000	1	121.6580	0.000	1	122.5952	0.347	5	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[3x6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3x6])	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[3x6])	122.6500	0.000	1	122.9437	0.068	3	122.5952	0.347	5	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[3x6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3x6])	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[3x6])	123.0905	0.076	2	122.9437	0.068	3	122.5952	0.347	5	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[3x6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[3x6])	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,3|C<4>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]O)(C[6a]C[6a]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[3x6])	122.4870	0.000	1	122.4870	0.000	1	122.5952	0.347	5	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[4,3x6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[4,3x6]C[4,3x6]C[3,4]C[3x6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,3x6]O)(C[6a]C[6a]H)	O(C[6]C[4,3x6]C[6,6a])	C[6](C[4,3x6]C[4,3x6]C[3,4]C[3x6])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,4|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[4,3x6]C[6,6a])	120.4195	0.196	2	120.4195	0.038	2	120.4195	0.038	2	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[4,5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[4,5,6]C[4,5,6]C[3,4]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H)	O(C[6]C[4,5,6]C[6,6a])	C[6](C[4,5,6]C[4,5,6]C[3,4]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[4,5,6]C[6,6a])	121.2740	0.000	1	121.2740	0.000	1	122.0975	1.356	2	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[4,5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[4,5,6]C[4,5,6]C[3,4]O[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H)	O(C[6]C[4,5,6]C[6,6a])	C[6](C[4,5,6]C[4,5,6]C[3,4]O[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[4,5,6]C[6,6a])	122.9210	0.000	1	122.9210	0.000	1	122.0975	1.356	2	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[4,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[4,6]C[3,4]C[4,6]Cl)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[4,6])	C[6](C[4,6]C[3,4]C[4,6]Cl)(C[6,6a]C[6,6a]C[6a])(O){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[4,6])	121.5505	0.289	2	121.5505	0.084	2	121.3617	1.035	7	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[4,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[4,6]C[3,4]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[4,6])	C[6](C[4,6]C[3,4]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[4,6])	120.8335	0.206	2	120.8335	0.042	2	121.3617	1.035	7	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[4,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[4,6]C[4,4,6]C[3,4]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[4,6])	C[6](C[4,6]C[4,4,6]C[3,4]H)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[4,6])	120.6580	0.334	2	120.6580	0.111	2	121.3617	1.035	7	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[4,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[4,6]C[6,6a]C[4,5]O[4])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[4,6])	C[6](C[4,6]C[6,6a]C[4,5]O[4])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[4,6])	123.4480	0.000	1	123.4480	0.000	1	121.3617	1.035	7	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[4x6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4x6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[4x6])	C[6](C[4x6]C[3x6]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[4x6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[4x6])	122.7310	0.000	1	122.7310	0.000	1	121.5927	0.981	3	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[4x6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[4x6])	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[4x6])	121.0235	0.132	2	121.0235	0.017	2	121.5927	0.981	3	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H)	O(C[6]C[5,3x6]C[6,6a])	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){3|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[5,3x6]C[6,6a])	119.7606	0.419	8	119.7606	0.175	8	120.5305	1.864	11	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H)	O(C[6]C[5,3x6]C[6,6a])	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,2|O<1>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[5,3x6]C[6,6a])	122.4930	0.000	1	122.5837	0.011	3	120.5305	1.864	11	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H)	O(C[6]C[5,3x6]C[6,6a])	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	O(C[6]C[5,3x6]C[6,6a])	122.6290	0.095	2	122.5837	0.011	3	120.5305	1.864	11	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	O(C[6]C[5,5,6]C[6,6a])	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[5,5,6]C[6,6a])	123.3560	0.000	1	123.3560	0.000	1	122.8865	2.220	4	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	O(C[6]C[5,5,6]C[6,6a])	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6,6a]C[6,6a]C[6a])(O){2|C<3>,5|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,5,6]C[6,6a])	120.6910	0.000	1	120.6910	0.000	1	122.8865	2.220	4	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	O(C[6]C[5,5,6]C[6,6a])	C[6](C[5,5,6]C[5,5,6]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,5,6]C[6,6a])	124.0040	0.000	1	124.0040	0.000	1	122.8865	2.220	4	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	O(C[6]C[5,5,6]C[6,6a])	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[5,5,6]C[6,6a])	123.4950	0.000	1	123.4950	0.000	1	122.8865	2.220	4	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5,5,6]O)	O(C[6]C[5,5,6]C[6,6a])	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[5,5,6]O){1|H<1>,2|C<3>,4|C<4>}	O(C[6]C[5,5,6]C[6,6a])	121.5290	0.000	1	121.5290	0.000	1	122.2540	1.051	2	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,5,6]O)	O(C[6]C[5,5,6]C[6,6a])	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,4|C<3>,4|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,5,6]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[5,5,6]C[6,6a])	122.9790	0.000	1	122.9790	0.000	1	122.2540	1.051	2	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[5,6,6]C[6,6a])	120.7520	0.000	1	120.5436	0.311	14	120.9654	0.975	20	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[5,6,6]C[6,6a])	121.4250	0.000	1	120.5436	0.311	14	120.9654	0.975	20	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[5,6,6]C[6,6a])	120.6324	0.380	8	120.5436	0.311	14	120.9654	0.975	20	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[5,6,6]C[6,6a])	120.0938	0.669	4	120.5436	0.311	14	120.9654	0.975	20	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){3|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6]C[5,6,6]C[6,6a])	120.8780	0.025	2	120.8780	0.001	2	120.9654	0.975	20	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6,6]C[6,6a])	121.3540	0.000	1	121.3540	0.000	1	120.9654	0.975	20	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,6,6]O[5]O[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[5,6,6]C[6,6a])	123.6870	0.000	1	123.6870	0.000	1	120.9654	0.975	20	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[5,6,6]C[6,6a])	122.4980	0.000	1	122.4980	0.000	1	120.9654	0.975	20	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5,6,6]C[6,6a])	122.4020	0.000	1	122.4020	0.000	1	120.9654	0.975	20	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6,6]O)	O(C[6]C[5,6,6]C[6,6a])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6,6]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[5,6,6]C[6,6a])	121.1950	0.166	4	121.1950	0.028	4	121.1950	0.028	4	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[3,5,6]C[5,5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[3,5,6]C[5,5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[5,6])	122.6930	0.000	1	122.6930	0.000	1	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[5,6])	120.3580	0.000	1	120.3580	0.000	1	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[5,6])	121.8670	0.000	1	121.8670	0.000	1	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5,6]C[5,6a]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	121.6680	0.000	1	121.6680	0.000	1	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6])	120.1750	0.146	6	120.2830	0.099	7	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	120.9310	0.000	1	120.2830	0.099	7	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[5,6])	121.2550	0.000	1	121.2550	0.000	1	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6a]C[5,6])	122.3860	0.103	2	122.2567	0.320	7	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[5,6])	122.2050	0.683	5	122.2567	0.320	7	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6])	119.7597	0.591	3	119.7597	0.349	3	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]C[5,6])	123.5815	0.193	2	123.5815	0.037	2	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	121.6950	0.000	1	121.6950	0.000	1	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[5,6])	122.0325	0.214	2	122.0325	0.046	2	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	122.9260	0.000	1	122.9260	0.000	1	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6])	123.1188	0.653	4	123.1188	0.426	4	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	121.9850	0.000	1	121.9850	0.000	1	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	122.4287	0.444	3	122.4287	0.197	3	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	123.1680	0.071	2	123.1680	0.005	2	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6])	122.5020	0.000	1	122.5020	0.000	1	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6])	122.1038	0.307	4	122.1038	0.094	4	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[6,6a]O[5]P[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[6,6a]O[5]P[5])(C[6,6a]C[6,6a]C[6a])(O){1|B<4>,1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6])	122.6590	0.000	1	122.6590	0.000	1	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	O(C[6]C[6,6a]C[5,6])	124.3690	0.000	1	124.3690	0.000	1	121.9283	1.491	45	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]C[5,6])	122.4710	0.000	1	122.4710	0.000	1	120.6148	4.354	4	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[5,6]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[5,6])	118.8080	0.031	2	118.8080	0.001	2	120.6148	4.354	4	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O)	O(C[6]C[6,6a]C[5,6])	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]C[5,6])	122.3720	0.000	1	122.3720	0.000	1	120.6148	4.354	4	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]S[6])(C[6]C[6,6]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]S[6])(C[6]C[6,6]O){1|N<3>,7|C<3>}	O(C[6]C[6,6a]C[6,6])	123.6640	0.000	1	123.6640	0.000	1	123.2530	0.338	2	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]Se[6])(C[6]C[6,6]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[6,6,6a]C[6a]N[6])(C[6,6a]C[6,6a,6a]C[6,6a])(O){1|Se<2>,1|N<2>,6|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]Se[6])(C[6]C[6,6]O){1|N<2>,7|C<3>}	O(C[6]C[6,6a]C[6,6])	122.8420	0.000	1	122.8420	0.000	1	123.2530	0.338	2	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]O)(C[6a]O[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]O)(C[6a]O[6a]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[6,6])	124.3820	0.000	1	124.3820	0.000	1	122.8426	1.168	27	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	124.0000	0.000	1	124.0000	0.000	1	122.8426	1.168	27	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[5a,6,6]C[6]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	O(C[6]C[6,6a]C[6,6])	121.1700	0.000	1	121.1700	0.000	1	122.8426	1.168	27	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6,6])	122.2680	0.000	1	122.2680	0.000	1	122.8426	1.168	27	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	121.4447	0.513	3	121.4447	0.263	3	122.8426	1.168	27	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	123.3497	0.716	3	123.3497	0.512	3	122.8426	1.168	27	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6,6])	122.2210	0.161	2	122.2052	0.017	6	122.8426	1.168	27	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6,6])	122.1972	0.137	4	122.2052	0.017	6	122.8426	1.168	27	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	122.7925	0.114	2	122.7925	0.013	2	122.8426	1.168	27	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6])	126.0160	0.000	1	126.0160	0.000	1	122.8426	1.168	27	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(O){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6])	122.9590	0.000	1	122.9590	0.000	1	122.8426	1.168	27	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	123.3315	0.289	2	123.1163	0.161	6	122.8426	1.168	27	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]C[6,6])	123.0087	0.440	4	123.1163	0.161	6	122.8426	1.168	27	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262
762	643	863	0:SP2_SP2_SP2	C[6]	C[6,6a]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6])	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6,6])	124.0570	0.000	1	124.0570	0.000	1	122.8426	1.168	27	121.9189	1.936	149	121.9205	2.657	4260	121.9210	2.657	4262