OTAVA-ZINC05510877 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -2.8200 2.0370 -3.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 0.5980 -4.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 0.1220 -5.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3920 -0.2950 -3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 0.1360 -2.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 -0.7620 -1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6730 -2.1420 -1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -2.5920 -2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -1.6890 -3.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2830 -3.0020 -0.6100 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 -4.3010 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 -4.9240 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -4.2670 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -4.9550 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -6.3050 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -6.9530 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 -6.2910 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 -6.9960 0.6710 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9680 -6.3540 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1470 -5.0290 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5050 -4.3940 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5430 -3.1310 0.2810 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3230 -4.0430 -0.6070 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 2.5930 -4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8530 2.3990 -4.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 2.2940 -3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -0.5030 -5.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -0.4480 -6.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 0.9480 -5.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 1.1940 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3250 -0.3690 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 -3.6570 -2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 -2.1180 -4.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2100 -2.6640 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -3.1980 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -6.8600 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -8.0070 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8050 -6.9630 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4830 -5.1440 0.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 20 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 39 2 0 0 0 0 M CHG 1 22 -1 M END