marinedrugs-11-02382-s002.mol corina 04141405353D 1 1.00000 0.00000 CORINA 3.49 0023 12.04.2013 40 39 0 0 0 0 0 0 0 0999 V2000 -2.4540 -0.3270 -0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0937 -0.9946 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4935 -1.3468 -1.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7113 -1.9480 -1.4608 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -2.3871 -2.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2728 0.9202 -0.9491 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0945 -1.0893 -2.4219 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7676 -2.5244 -2.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 -3.7192 -3.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9935 -4.3211 -4.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3805 -1.1670 -2.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7036 -1.0556 -2.1912 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4085 -5.6160 -4.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2143 -6.7381 -3.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0803 -6.6384 -2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0495 -6.9099 -6.6873 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4395 -5.7861 -6.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 -7.7436 -1.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9032 -7.8545 -0.4604 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0392 -5.8678 -8.0375 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 -6.4178 -8.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0193 -7.0753 -8.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3807 -6.4384 -9.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4633 -8.6212 -8.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2703 -9.2090 -7.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0221 -8.5661 -8.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2135 -10.7202 -8.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9045 -4.9118 -6.8267 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4865 -8.5333 -2.4904 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 -4.2495 -2.3748 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6833 -0.1750 -2.4454 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4195 3.1049 5.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7548 2.8603 4.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3443 2.3081 4.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6796 2.0635 3.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2691 1.5112 3.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6044 1.2666 2.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1939 0.7144 2.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5292 0.4698 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1187 -0.0824 1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 1 6 1 0 3 7 2 0 5 8 1 0 5 9 1 0 9 10 1 0 8 11 1 0 11 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 16 17 1 0 17 13 1 0 15 18 1 0 18 19 1 0 20 21 2 0 21 22 1 0 22 16 1 0 21 23 1 0 24 25 1 0 25 26 1 0 25 27 1 0 22 26 1 0 17 28 2 0 18 29 2 0 9 30 2 0 11 31 2 0 1 40 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 9 32 33 34 35 36 37 38 39 40 M SBL 1 1 31 M SMT 1 C9H19 M SBV 1 31 -5.0788 5.6100 M END $$$$