BWK6O9 -OEChem-04022105043D 42 45 0 0 0 0 0 0 0999 V2000 -4.4058 1.7018 1.4775 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 1.0961 0.9232 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7992 -2.6912 1.5456 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4346 -0.1310 1.1606 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9205 -3.3735 0.4637 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2138 -0.1411 1.2307 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 -0.9847 -0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -0.4287 0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -1.2477 -0.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4942 0.9118 0.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1714 -0.7056 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 -0.9587 -0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2817 -1.8058 -1.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3558 -1.0364 0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8111 2.1234 -0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1137 -2.0687 -1.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1691 -2.3479 -2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8768 0.2550 0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6366 -1.8938 -0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5618 2.3876 -1.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4006 3.0310 0.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1601 0.5336 0.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 -1.6152 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6312 -2.4379 0.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1818 -0.4014 0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 3.5594 -1.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7407 4.2027 0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4915 4.4670 -0.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2768 -0.0963 0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2728 -2.0278 -2.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9504 -2.4877 -2.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3019 -2.9799 -3.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1215 1.0262 0.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4732 -2.8642 -0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8777 1.6942 -2.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5844 2.8396 1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7060 -2.3545 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 3.7655 -2.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4203 4.9091 1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0224 5.3793 -1.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9655 -3.6541 1.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0134 -0.8867 0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 24 1 0 0 0 0 3 41 1 0 0 0 0 4 25 1 0 0 0 0 4 42 1 0 0 0 0 5 24 2 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 15 1 0 0 0 0 11 29 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 14 24 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 22 1 0 0 0 0 18 33 1 0 0 0 0 19 23 2 0 0 0 0 19 34 1 0 0 0 0 20 26 1 0 0 0 0 20 35 1 0 0 0 0 21 27 2 0 0 0 0 21 36 1 0 0 0 0 22 25 2 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 26 28 2 0 0 0 0 26 38 1 0 0 0 0 27 28 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 M END $$$$