D0M2LD -OEChem-04152111163D 38 40 0 0 0 0 0 0 0999 V2000 -3.9487 0.0935 -1.2422 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.8508 -1.3092 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3316 2.4706 -0.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3804 3.6479 -0.0066 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -0.0208 1.0452 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6333 -0.0483 1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0322 -1.2278 0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1997 -1.2202 -0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 0.1916 1.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2772 1.1491 0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3884 1.2727 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9348 0.0526 -0.5563 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3823 -2.4627 0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6889 -2.3926 -0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 1.2095 0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9746 -0.6087 1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8706 -3.6327 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0209 -3.5975 -0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9732 1.4312 -0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1058 -0.3869 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1051 0.6330 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9971 2.5973 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3314 -0.0015 -1.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7109 -0.9509 2.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5933 0.7640 2.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 2.0052 1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5259 -2.5647 1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5859 -2.3846 -1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0007 1.8742 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9862 -1.4053 1.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3465 -4.5726 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 -4.5080 -1.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9696 2.2311 -1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9501 -1.0432 0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7764 3.3405 -0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7330 0.1167 -0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1175 0.3125 -1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0963 -1.0454 -1.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 22 1 0 0 0 0 3 35 1 0 0 0 0 4 22 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 12 1 0 0 0 0 8 14 2 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 13 17 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 19 1 0 0 0 0 15 29 1 0 0 0 0 16 20 2 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$