marinedrugs-11-00643-s005.mol corina 04161404213D 1 1.00000 0.00000 CORINA 3.49 0023 12.04.2013 45 49 0 0 0 0 0 0 0 0999 V2000 1.1241 0.4050 -1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3383 0.3936 -0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5919 1.2656 0.9194 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6203 2.1347 0.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4276 2.1130 -0.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1355 1.2490 -1.3761 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5597 3.0489 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 3.1497 -1.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3721 4.1740 -1.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0492 4.6567 -0.1836 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9692 3.9879 0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5491 2.4748 -2.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5262 2.8125 -3.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4314 3.8235 -3.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3596 4.5032 -2.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7775 -0.5590 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -0.2310 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8778 -1.4585 0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9386 -2.4562 0.0701 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6993 -1.9175 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9061 0.9627 0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2711 0.9323 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9466 -0.2790 0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2615 -1.4707 0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9334 -2.6519 0.4589 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0404 1.2583 1.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 4.2720 -4.8069 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.1778 2.2815 0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8709 2.9223 1.7017 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2622 2.9517 1.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4011 4.2271 1.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6298 3.4232 1.9367 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6107 4.7813 2.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3553 5.3112 1.9791 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4194 2.8618 1.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 6.2513 2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6748 5.4943 2.3399 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8215 3.1884 -0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8446 12.6502 8.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8636 11.2513 8.4656 F 0 0 0 0 0 0 0 0 0 0 0 0 15.1571 13.1344 8.4633 F 0 0 0 0 0 0 0 0 0 0 0 0 13.1680 13.1136 7.3399 F 0 0 0 0 0 0 0 0 0 0 0 0 13.1392 13.1362 9.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7751 12.3380 10.5598 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9327 14.3275 9.8696 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 7 2 0 8 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 9 1 0 2 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 16 2 0 17 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 18 1 0 24 25 1 0 3 26 1 0 14 27 1 0 21 28 1 0 4 29 2 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 4 0 33 34 4 0 34 31 1 0 32 35 1 0 34 36 1 0 33 37 4 0 28 38 1 0 39 40 1 0 39 41 1 0 39 42 1 0 39 43 1 0 43 44 2 0 43 45 1 0 M CHG 2 37 1 45 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 7 39 40 41 42 43 44 45 M SMT 1 CF3CO2- M END $$$$