IFLAB-ZINC04033461 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.8280 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -0.6060 2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -1.6790 3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.9780 2.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -3.2150 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.1430 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.0550 -0.7410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.8040 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.3140 -2.5230 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0580 0.7750 -2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -0.9230 -3.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -1.1660 -4.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -1.3720 -5.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -1.1220 -4.6710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -0.8620 -3.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -1.3000 -5.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -0.2060 -6.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 -0.3850 -7.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 -1.6520 -8.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -2.7430 -7.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 -2.5700 -6.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -4.0630 -5.0910 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 0.4020 2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -1.5080 4.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -3.8090 3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -4.2300 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -1.8620 -2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -0.2190 -3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 -0.1200 -3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -1.7860 -2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 0.7830 -6.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 0.4650 -8.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -1.7890 -8.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 -3.7310 -7.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 M END