IFLAB-ZINC04279518 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.0700 1.7660 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 0.2540 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -0.5160 -1.1950 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7130 -0.1080 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -2.0230 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -2.5660 -1.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -3.4870 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -0.4510 -3.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 0.0130 -4.9440 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5840 -0.7430 -5.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.3500 -6.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 0.7160 -7.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 1.0210 -8.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 1.2910 -9.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 1.6150 -10.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 1.6710 -10.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 1.4070 -9.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 1.0830 -8.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 2.1070 -12.6960 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 1.1800 -4.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 1.5650 -5.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 2.1060 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 2.1000 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 2.2620 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 0.0060 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -0.0560 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -2.5240 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -2.2250 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -1.4750 -3.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 0.2380 -3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 1.2010 -5.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -0.5260 -6.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 1.2460 -9.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 1.8200 -11.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 1.4520 -10.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 0.8880 -7.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -0.3800 -2.5530 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6360 -1.1480 -2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4720 0.4970 -2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 37 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 20 21 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 M CHG 1 37 1 M END