marinedrugs-11-01152-s001.mol corina 04151404563D 1 1.00000 0.00000 CORINA 3.49 0023 12.04.2013 39 41 0 0 0 0 0 0 0 0999 V2000 -0.1149 1.3151 0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1213 -0.0196 0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6455 3.9944 1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1649 3.5450 0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1566 2.0369 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6974 5.1752 2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1798 5.2500 2.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4811 5.0179 1.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8629 1.6622 1.5534 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5412 2.3842 0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1209 3.8089 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1928 3.7888 2.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5804 -0.2475 -0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0239 -0.3930 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9024 0.6267 -0.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5449 1.9734 -0.6291 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2560 1.2911 -1.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3767 0.3539 -0.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4322 -0.7650 0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7569 -1.4010 1.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5369 -1.8030 -0.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8593 -1.4423 -1.0412 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2246 6.2511 1.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 2.9075 1.9101 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7138 4.3189 3.6315 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1252 6.3427 0.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2127 6.7937 1.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6005 4.0425 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2026 1.4261 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4955 6.5134 6.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9302 5.4694 7.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1032 4.3393 7.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2451 3.7447 5.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6344 4.8553 4.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3524 5.8883 4.9902 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8429 7.1223 6.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 4.9383 6.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3314 3.3244 8.2443 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9989 3.1679 5.5304 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 3 4 1 0 4 5 1 0 5 1 1 0 6 7 1 0 7 8 1 0 8 3 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 6 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 10 1 0 17 18 1 0 13 19 1 0 19 20 1 0 2 19 1 0 14 21 1 0 19 22 1 0 13 22 1 0 15 18 1 0 6 23 1 0 12 24 1 0 7 25 1 0 8 26 1 0 26 27 1 0 4 28 1 0 5 29 2 0 30 31 1 0 34 35 1 0 35 30 1 0 25 34 1 0 30 36 1 0 31 37 1 0 32 38 1 0 33 39 1 0 34 33 1 0 33 32 1 0 31 32 1 0 M END $$$$