IBS-ZINC02317075 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -3.9610 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1480 -4.5400 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 -4.8010 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0230 -5.3340 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6430 -5.6130 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7610 -6.0950 0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 -5.3410 1.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7470 -4.8140 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -4.5790 2.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6170 -5.6250 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2730 -7.0280 2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5710 -7.7190 2.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7450 -7.5080 4.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3730 -8.8680 4.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0010 -9.2370 5.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9200 -5.7040 -2.7820 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 -2.1110 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -2.1010 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -4.2850 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 -4.2950 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 -4.5810 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2540 -4.9170 3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6980 -5.5290 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7320 -9.5520 3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 -8.9400 4.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6420 -8.5520 6.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0860 -9.1650 5.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 -10.2570 6.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END