BDMP80 -OEChem-04022105283D 38 40 0 0 0 0 0 0 0999 V2000 3.1381 -1.6842 0.1927 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3872 4.1172 -0.5694 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4995 0.1952 1.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2668 0.2185 -0.9761 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2815 -1.8487 1.0705 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1406 -2.3062 -1.1176 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2302 -0.8083 -1.1658 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7038 -2.1161 1.0471 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1462 -1.9097 -1.3163 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5422 0.8324 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1233 0.0429 -0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6584 -0.5874 0.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0091 2.1732 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 1.1045 1.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9757 -1.0984 -0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4346 -0.9298 1.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4402 -1.7526 0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0413 -2.2112 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9133 0.0564 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 0.9527 0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2631 0.5318 -1.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 2.3245 0.7423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0857 1.9036 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5585 2.7999 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1941 2.0224 -0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7925 2.7479 -0.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5994 2.7805 0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2819 1.6550 2.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4864 1.6772 1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0715 0.1615 2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4918 -1.2840 -2.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1663 -0.5508 2.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7616 -2.0632 2.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6576 -2.8786 -1.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8882 0.6042 1.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8914 -0.1453 -1.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5748 3.0226 1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 2.2743 -2.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 19 1 0 0 0 0 2 24 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 11 2 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 7 31 1 0 0 0 0 8 17 1 0 0 0 0 8 33 1 0 0 0 0 9 15 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$