OTAVA-ZINC06143915 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.2900 0.4800 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 0.7710 3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 2.6910 1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 3.1430 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 4.5800 0.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 5.5080 -0.3720 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7130 5.2020 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 6.8460 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 6.6440 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 5.1840 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 4.6670 1.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 7.4580 0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 8.0160 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 9.1680 -0.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 8.1540 -1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 7.6910 -2.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 7.7540 -3.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 8.2830 -2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 8.7710 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 8.7110 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 8.2570 -3.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 8.7990 -2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 5.4760 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 4.9980 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 4.9650 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 5.4060 1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 5.8770 2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 5.9110 1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3510 5.3680 2.9270 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -0.5950 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 0.8460 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 0.6850 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 1.1050 3.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -0.3170 3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 1.2360 3.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 3.0170 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 3.0930 2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 2.8640 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 2.6560 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 9.8870 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 7.2710 -3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 7.3820 -4.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 9.1910 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 9.0800 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 9.8620 -2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 8.2330 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9290 8.7100 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 4.6640 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 4.6040 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 6.2260 3.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 6.2910 2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 1.1810 1.7740 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2720 0.8610 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 52 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END