FDA-ZINC00000095 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.2960 0.6580 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 1.1490 2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 3.0420 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 3.5300 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 2.9710 0.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 3.3740 -0.7280 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4860 3.5160 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 4.6800 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 5.5250 -1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7590 6.7260 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7950 7.0950 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2330 6.2630 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6300 5.0620 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 2.2270 -0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3690 1.7670 -2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2790 0.7100 -2.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7560 0.1080 -0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3370 0.5540 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4270 1.6100 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9810 -1.3260 -1.1120 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 -0.3640 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 0.7490 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 0.9510 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 1.2800 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 0.1020 2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 1.7720 3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 3.1760 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 3.5650 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 4.6240 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 3.1820 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 5.2550 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 7.3720 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2670 8.0290 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 6.5480 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 4.4250 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0100 2.2270 -2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6080 0.3680 -3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7110 0.0920 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 1.9510 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 1.5670 1.1540 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9150 1.4960 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 40 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 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 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 40 1 M END