BWO9E2 -OEChem-04022114423D 55 59 0 1 0 0 0 0 0999 V2000 -2.7620 0.9174 1.5001 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3663 -2.4091 -0.8333 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0797 -1.1925 0.4674 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1924 -0.3020 0.0803 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0668 0.5162 0.5960 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4950 0.6437 0.1074 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2045 1.8187 -0.3155 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7995 -0.0740 -0.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2422 2.0395 -0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9553 2.7661 -0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4541 -1.5575 0.9676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4481 -0.0051 0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 2.2949 -0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9237 -0.8383 -1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0588 0.8910 2.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3488 0.9626 -0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9044 -2.0377 1.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7238 -1.5863 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0940 0.4159 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0209 0.1329 -1.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6040 0.3517 -0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 -1.0069 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8878 0.7919 -0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4638 -1.9329 0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9393 -0.1307 -0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7289 -1.4696 -0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1541 1.5215 -1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1859 1.9333 -1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 2.7039 -0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0367 3.0985 0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8198 3.6671 -0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8154 -2.3842 0.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -1.3951 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 2.8415 -1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8377 2.9092 0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0423 -1.3471 -1.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -1.5872 -1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -0.0506 -2.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 1.4484 2.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9139 1.5250 2.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1519 0.0051 2.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4209 -1.7411 1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9042 -3.1351 1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9217 0.1074 1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2030 1.5022 0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 0.1518 1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9825 -0.0443 -0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2314 1.1818 -2.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8837 -0.4413 -2.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1694 -0.1859 -2.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 -2.0676 0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0679 1.8322 -0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3052 -2.9759 0.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9332 0.2031 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5623 -2.1667 -0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 44 1 0 0 0 0 2 18 2 0 0 0 0 3 12 1 0 0 0 0 3 22 1 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 27 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 17 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 16 2 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 23 52 1 0 0 0 0 24 26 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 M END $$$$