CHEMBRIDGE-ZINC00140436 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.3040 1.2900 -1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -0.1160 -1.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -0.7160 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -0.0800 -0.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -2.1420 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -2.8850 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -4.2180 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -4.8270 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -4.1060 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 -2.7600 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -2.0300 0.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8310 -2.5670 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 -3.7230 -0.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0620 -1.7510 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2890 -2.2970 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4120 -1.4900 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2890 -0.1830 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1200 0.3050 0.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0240 -0.4240 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -5.2220 -0.3210 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 1.6480 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 1.4180 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 1.8600 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -2.4150 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -5.8730 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -4.5880 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 -1.1350 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3560 -3.3210 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3750 -1.8770 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1640 0.4490 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0860 0.0090 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 19 31 1 0 0 0 0 M END