marinedrugs-11-01061-s001.mol corina 04151404293D 1 1.00000 0.00000 CORINA 3.49 0023 12.04.2013 27 31 0 0 0 0 0 0 0 0999 V2000 -0.0166 1.4627 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 -0.0046 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3246 1.8791 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.7546 -0.0098 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 -0.3897 -0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0393 2.4103 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7275 3.7557 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6015 4.1663 0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6189 3.2394 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6607 -1.7463 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -2.6605 -0.0515 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5774 -2.3517 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9882 -1.0058 0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5890 -3.4278 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6474 -4.5843 -0.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7765 -5.3248 -0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3568 -4.6672 0.5381 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 -3.5476 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 -5.0177 -1.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1835 -6.1656 -2.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3009 -6.9058 -2.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0954 -6.4912 -1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6128 -8.0453 -2.9382 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7221 4.6814 0.2109 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -0.6545 0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9719 -0.5350 1.1659 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1037 -0.4647 -1.0505 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 3 4 1 0 4 5 1 0 5 2 2 0 1 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 3 1 0 5 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 2 1 0 12 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 14 2 0 15 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 16 1 0 21 23 1 0 7 24 1 0 13 25 1 0 25 26 2 0 25 27 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 25 26 27 M SBL 1 1 29 M SMT 1 COOH M SBV 1 29 -7.5583 5.1258 M END $$$$