marinedrugs-11-02042-s004.mol corina 04231401533D 1 1.00000 0.00000 CORINA 3.49 0023 12.04.2013 41 44 0 0 0 0 0 0 0 0999 V2000 0.0138 1.8741 -0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1256 0.3564 -0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4804 2.3246 -0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6579 3.5642 0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4973 3.6135 1.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3186 2.5133 2.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8797 1.3668 2.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4025 1.0857 2.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0636 -0.2846 2.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2202 -0.1842 1.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -1.2718 3.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7344 -2.7015 2.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0895 -2.7781 1.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5092 2.3681 -1.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7306 2.7100 -2.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8162 2.6461 -1.6305 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3892 3.6041 -1.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7404 3.0063 -3.5739 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6158 4.9488 2.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 4.9585 3.7490 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7236 2.5217 0.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2534 -0.7942 1.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2503 -1.5518 1.8492 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -1.5332 1.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2408 -1.6526 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8561 -0.2941 -1.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5885 -0.2228 -2.6738 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5065 -0.5420 -2.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4796 -1.2185 -3.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0027 1.1410 4.0367 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5693 2.5920 3.4826 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0116 1.9890 4.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 2.1889 5.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4085 -0.9375 3.8862 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4596 -1.7391 5.7536 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4806 -1.2250 5.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7341 -0.9065 5.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0942 -3.5249 3.6997 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2615 -5.2518 2.9657 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4465 -4.8194 3.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1745 -5.7332 4.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 2 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 1 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 3 16 1 0 15 18 2 0 5 19 1 0 19 20 1 0 1 21 1 0 9 22 1 0 23 25 1 0 24 23 1 0 24 25 1 0 10 24 1 0 13 24 1 0 2 26 1 0 26 28 1 0 27 28 2 0 28 29 1 0 8 30 1 0 30 32 1 0 31 32 2 0 32 33 1 0 11 34 1 0 34 36 1 0 35 36 2 0 36 37 1 0 12 38 1 0 38 40 1 0 39 40 2 0 40 41 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 26 27 28 29 M SBL 1 1 29 M SMT 1 OAc M SBV 1 29 -5.8753 5.1516 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 30 31 32 33 M SBL 2 1 33 M SMT 2 OAc M SBV 2 33 -5.8753 5.9491 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 4 34 35 36 37 M SBL 3 1 37 M SMT 3 OAc M SBV 3 37 -5.7282 5.8625 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 4 38 39 40 41 M SBL 4 1 41 M SMT 4 OAc M SBV 4 41 -6.0846 5.6565 M END $$$$