marinedrugs-11-02444-s001.mol ChemDraw01201408372D 52 56 0 0 0 0 0 0 0 0999 V2000 1.4724 3.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 3.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8532 3.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6512 3.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0638 3.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2705 3.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 2.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 1.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5282 0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 1.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0631 0.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4757 1.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6824 1.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4757 2.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5282 0.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7228 -0.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1353 -1.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3421 -0.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -1.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1314 -0.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9248 -0.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1353 -1.9198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1314 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2491 -2.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6616 -3.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8683 -3.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0703 -3.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6577 -2.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -2.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6616 -4.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6577 -1.7003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0705 -0.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -0.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6619 -0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4513 0.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 1.2550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6619 -1.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0638 4.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0388 0.9355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0463 0.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4481 3.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2734 -3.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2808 -3.7275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2808 -4.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2529 -0.8812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7566 3.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9127 1.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5201 -0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0463 -2.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2811 -0.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 5 6 1 0 6 1 1 0 2 7 1 0 8 9 1 0 12 13 1 0 13 8 1 0 12 14 1 0 3 14 1 0 9 15 1 0 16 17 1 0 20 21 1 0 21 16 1 0 17 22 1 0 20 23 1 0 10 23 1 0 24 25 1 0 28 29 1 0 29 24 1 0 25 30 1 0 28 31 1 0 18 31 1 0 35 36 1 0 36 37 1 0 37 32 1 0 32 38 1 0 35 39 1 0 11 38 1 0 5 40 1 0 37 41 1 0 36 42 1 0 4 43 1 0 27 44 1 0 26 45 1 0 45 46 1 0 19 47 1 0 25 26 1 1 28 27 1 1 26 27 1 1 17 18 1 1 18 19 1 1 20 19 1 1 9 10 1 1 10 11 1 1 12 11 1 1 2 3 1 1 3 4 1 1 4 5 1 1 32 33 1 1 35 34 1 1 34 33 1 1 1 48 1 0 8 49 1 0 16 50 1 0 24 51 1 0 34 52 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 1 48 M SBL 1 1 52 M SMT 1 Me M SBV 1 52 -8.6067 5.6481 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 1 49 M SBL 2 1 53 M SMT 2 Me M SBV 2 53 -8.6878 5.8461 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 1 50 M SBL 3 1 54 M SMT 3 Me M SBV 3 54 -8.6880 5.8468 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 1 51 M SBL 4 1 55 M SMT 4 Me M SBV 4 55 -8.6880 5.8468 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 1 52 M SBL 5 1 56 M SMT 5 Me M SBV 5 56 -7.4784 5.3452 M END