IFLAB-ZINC05258447 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.0410 1.5300 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 0.0000 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -0.5080 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -0.5300 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -2.5390 -0.1010 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4210 -1.9480 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 -3.9910 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -4.0320 1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -3.0020 2.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -5.2140 2.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -5.2620 3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -4.2260 4.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -4.2760 5.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -5.3560 6.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 -6.3880 5.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -6.3480 4.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -7.7650 2.9520 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -2.4860 -1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -2.0400 -2.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 1.9080 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 1.8920 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8800 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -0.3500 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -1.5980 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 -0.1300 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -0.1580 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -0.2550 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -0.0980 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 -4.4230 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -4.5620 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -6.0310 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -3.3820 4.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -3.4700 6.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -5.3920 7.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -7.2300 5.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -1.9930 -0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -2.2760 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 -2.9350 -1.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9530 -2.8810 -2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 36 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 M END