marinedrugs-11-02472-s001.mol corina 04141405573D 1 1.00000 0.00000 CORINA 3.49 0023 12.04.2013 60 63 0 0 0 0 0 0 0 0999 V2000 7.6050 -15.0901 3.2268 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2005 -14.0096 2.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9165 -13.7925 2.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4786 -12.6230 1.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5829 -13.1207 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0377 -11.9235 -0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1829 -11.1629 -1.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 -9.6852 -1.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3444 -9.1610 -2.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2098 -7.6608 -2.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5443 -7.1121 -2.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4096 -5.6119 -3.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7104 -5.0840 -3.6867 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7556 -5.4354 -5.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4731 -6.1718 -5.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7626 -7.1365 -6.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2327 -8.4557 -6.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2426 -9.5454 -6.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1007 -12.4187 -1.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2068 -11.7374 -1.4239 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1267 -7.4269 -3.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7700 -3.6433 -3.5243 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8774 -4.1515 -5.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7108 -10.8167 -6.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7358 -12.0133 -6.9578 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2252 -12.9152 -6.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1791 -10.9484 -5.1299 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5068 -12.2454 -4.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0663 -12.7946 -3.6833 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3769 -12.0665 -2.6372 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3353 -14.0813 -3.4155 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8650 -12.8849 -1.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8347 -14.1514 -2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3442 -12.4469 -0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3848 -11.1991 0.0601 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8768 -11.1748 1.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1400 -12.4409 1.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8046 -13.2348 0.6349 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1535 -3.1761 -2.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5183 -4.1309 -1.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5227 -3.4614 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3284 -3.9908 1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2299 -5.1763 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7079 -6.3986 1.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5829 -7.5515 1.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9827 -8.9266 1.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2068 -1.9844 -2.1344 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8513 -3.7522 -0.7170 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0885 -9.9403 2.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9612 -8.9264 2.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7846 -7.4005 1.7767 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3438 -13.9547 -0.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7808 -15.2526 -0.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5559 -7.3305 -1.8239 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7769 -7.8538 -2.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6048 -15.9859 3.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9171 -15.3151 3.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2695 -16.2563 4.1165 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0455 -10.2901 3.5318 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3169 -10.6397 4.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 6 19 1 0 7 20 2 0 10 21 1 0 13 22 1 0 14 23 1 0 18 24 1 0 24 25 1 0 25 26 1 0 24 27 2 0 26 28 2 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 30 32 1 0 31 33 1 0 32 33 2 0 32 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 37 38 1 0 38 34 1 0 22 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 39 47 2 0 41 48 1 0 46 49 1 0 49 36 1 0 46 50 1 0 45 51 2 0 5 52 1 0 52 53 1 0 11 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 57 58 2 0 49 59 1 0 59 60 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 52 53 M SBL 1 1 55 M SMT 1 OMe M SBV 1 55 -8.6915 7.1303 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 54 55 M SBL 2 1 57 M SMT 2 OMe M SBV 2 57 -8.6910 7.1303 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 1 56 M SBL 3 1 59 M SMT 3 Me M SBV 3 59 -9.0480 6.5115 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 57 58 M SBL 4 1 60 M SMT 4 CHO M SBV 4 60 -9.4054 7.9551 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 59 60 M SBL 5 1 62 M SMT 5 OMe M SBV 5 62 -8.4845 7.1864 M END $$$$