marinedrugs-11-00551-s001.mol corina 05201405213D 1 1.00000 0.00000 CORINA 3.49 0023 12.04.2013 21 23 0 0 0 0 0 0 0 0999 V2000 -0.0164 1.3549 0.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 2.0272 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1193 1.6145 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9615 0.1430 1.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9876 -0.6160 0.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8145 -0.7078 2.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2325 -2.1297 2.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0633 -2.0080 1.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0197 3.5344 0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8412 3.6327 1.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5418 2.4384 2.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7274 -0.6663 -0.7087 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3241 -2.9052 1.0171 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8046 1.8530 -0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1685 1.8579 1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2753 -3.1023 1.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 2.9101 3.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5404 1.5952 3.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7514 -2.5894 3.6951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2506 4.5014 2.3663 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 2 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 6 1 0 3 10 1 0 10 11 1 0 11 12 1 0 12 4 1 0 2 13 2 0 9 14 2 0 3 15 1 0 4 16 1 0 8 17 1 0 12 18 1 0 12 19 1 0 8 20 1 0 11 21 2 0 M END $$$$