DR2451 -OEChem-05042003113D 36 39 0 0 0 0 0 0 0999 V2000 -2.2064 -1.1417 0.0101 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4365 -0.1435 0.0282 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8574 -1.9409 -0.0054 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8344 1.6599 -0.0074 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2193 -0.1856 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5133 1.1830 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -0.6940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7798 0.7710 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1457 0.2879 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1021 -0.6355 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4563 2.0991 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8672 1.6538 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4551 0.8556 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7978 0.1861 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5277 -1.5696 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 1.2042 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9377 -1.1302 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1971 0.3223 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.1336 1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 -0.1083 -1.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6751 -0.7557 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6497 -0.7304 -1.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2865 -1.0540 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3179 -1.7007 0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6587 3.1675 -0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6261 2.4284 0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3759 1.4958 -0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3877 1.4800 0.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3430 -2.6386 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3989 2.2698 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2303 0.6506 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9587 0.0918 2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9137 0.1368 -2.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1707 -1.0083 2.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1257 -0.9634 -2.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2583 -1.5386 -0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 17 2 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 15 2 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$