IFLAB-ZINC04852907 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 1 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 3 0 0 0 0 0 0 0 0 0 0.7450 -0.5110 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -2.0430 1.2490 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1720 -2.4790 2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -2.5640 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -3.8700 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -4.3760 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 -3.5770 -2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -2.2700 -2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -1.7560 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.4620 -1.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -1.4860 -3.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 -2.0750 -4.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 -6.1600 -1.4450 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -2.3680 1.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7170 -1.6060 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 -1.9260 0.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -0.5080 0.0190 N 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 1.7960 -0.2250 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -0.0980 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -4.4950 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 -3.9720 -3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -1.3440 -5.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -2.3930 -4.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -2.9390 -4.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -3.1310 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 -0.0280 -0.4750 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 12 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 31 1 0 0 0 0 M END