marinedrugs-11-02643-s002.mol corina 04141406383D 1 1.00000 0.00000 CORINA 3.49 0023 12.04.2013 72 73 0 0 0 0 0 0 0 0999 V2000 -0.7655 2.6861 1.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 1.2138 1.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8607 0.4240 2.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 3.2802 2.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5887 4.6308 2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5497 5.3874 2.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7961 4.7935 2.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9042 3.4438 2.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1049 -1.0576 2.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0827 -1.8355 3.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -2.8849 4.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1637 -3.5685 5.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4681 -1.2262 1.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5175 -3.3748 2.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -4.6179 5.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7579 -5.3169 6.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 -5.1800 7.3944 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 -6.7883 6.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3262 -7.5532 5.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2871 -8.9135 5.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 -6.9770 5.2168 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 -6.8408 6.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6154 -9.6935 6.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 -10.9120 7.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 -11.8852 5.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8383 -11.6179 5.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2195 -11.4365 5.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5124 -11.9437 5.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5867 -11.1152 5.7358 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8299 -11.4966 6.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 -11.1200 4.0992 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2256 -10.4362 4.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5831 -13.0897 6.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6945 -10.2499 6.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0671 -9.0678 6.7139 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8887 -10.3307 6.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5379 -11.9407 7.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3897 -4.0081 8.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -3.8450 8.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8056 -3.7512 7.7987 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9547 -4.4040 8.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 -4.2647 7.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4323 -4.5556 8.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3166 -5.4603 7.3222 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0935 -6.7915 7.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8522 -7.8177 6.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2766 -7.1650 8.3224 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9886 -5.0911 9.1483 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5896 -3.0948 8.0181 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2483 -2.8097 6.7153 R1 0 0 0 0 0 0 0 0 0 0 0 0 8.8244 -7.1232 3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9143 -2.4593 10.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8621 -1.1819 11.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0795 -1.0792 12.1041 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2579 -0.0061 12.9449 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4004 0.0902 13.7036 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3439 0.9199 13.0226 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6463 -7.4461 4.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9965 -7.3363 5.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6599 -6.4559 5.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 -2.5665 9.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7573 -10.1326 6.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 -10.1631 5.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6681 -10.4904 7.2982 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0217 -11.9948 5.7500 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0512 -12.9644 6.9048 R 0 0 0 0 0 0 0 0 0 0 0 0 4.0818 -13.9673 8.0993 R 0 0 0 0 0 0 0 0 0 0 0 0 9.1586 -3.2634 8.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1185 -2.9550 7.7081 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7387 -2.4558 9.3605 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4126 0.5815 3.5898 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3693 0.5063 5.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 1 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 1 1 0 3 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 9 13 1 0 11 14 1 0 12 15 2 0 16 15 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 19 21 2 0 18 22 1 0 20 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 27 28 1 0 28 29 1 0 29 30 1 0 26 31 2 0 27 32 2 0 28 33 2 0 30 34 1 0 34 35 1 0 34 36 2 0 30 37 1 0 17 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 2 0 41 48 2 0 38 49 2 0 42 50 1 0 46 35 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 2 0 51 58 1 0 46 59 1 0 59 58 1 0 58 60 1 0 39 61 1 0 61 52 1 0 23 62 1 0 62 63 2 0 62 64 1 0 65 66 1 0 66 67 1 0 26 65 1 0 27 65 1 0 68 69 2 0 68 70 1 0 43 68 1 0 71 72 1 0 3 71 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 62 63 64 M SBL 1 1 62 M SMT 1 COOH M SBV 1 62 -8.6398 7.3437 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 3 65 66 67 M SBL 2 2 67 68 M SMT 2 NR2 M SBV 2 67 -8.2808 7.1366 M SBV 2 68 -9.7097 7.1366 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 3 68 69 70 M SBL 3 1 71 M SMT 3 COOH M SBV 3 71 -8.6392 6.1061 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 71 72 M SBL 4 1 73 M SMT 4 OCH3 M SBV 4 73 -8.0216 7.6997 M END $$$$