IBS-ZINC02115277 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.2200 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.1590 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2840 -2.5140 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -2.6920 0.6180 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2870 -2.2950 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -4.2210 0.5330 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6090 -4.6200 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -4.6440 -0.9290 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1170 -4.2790 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -4.0890 -1.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -2.6610 -1.4400 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0780 -2.3200 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -2.1360 -2.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 -2.0230 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -1.7980 -3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 -1.3000 -4.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 -0.9670 -5.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -1.1300 -6.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -1.6250 -5.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -1.9540 -4.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -0.6740 -8.0480 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 -6.1700 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -6.5680 -2.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -4.7260 1.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -2.2870 1.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 -1.1740 -3.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 -0.5800 -6.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -1.7510 -5.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -2.3370 -3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -6.5280 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -6.5950 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -7.5260 -2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 -5.6900 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -2.5900 2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 26 27 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 29 41 1 0 0 0 0 M END