IFLAB-ZINC05258478 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 46 0 0 1 0 0 0 0 0999 V2000 -0.0310 1.5090 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -0.0210 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.5230 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.4950 1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -0.6980 2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -1.2030 3.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -1.4200 4.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -2.1240 7.0080 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0450 -1.3730 7.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -2.0130 8.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -0.6040 8.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 0.2300 7.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -0.2700 9.4350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 1.0120 9.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 2.1080 9.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 3.3720 9.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 3.5470 9.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 2.4590 10.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7380 1.1920 10.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -0.2950 10.7000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -3.4980 6.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -4.2200 6.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 1.8800 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 1.8710 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 1.8670 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -0.3910 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 -0.1520 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -1.6130 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -0.1610 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 0.2450 2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -1.4340 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -2.1450 3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -0.4660 3.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -0.4770 4.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -2.1560 4.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -2.2630 9.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -2.7030 8.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -0.9170 10.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 1.9720 8.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 4.2240 8.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 4.5370 9.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 2.5990 10.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -1.9050 5.8190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -2.7440 5.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -3.9200 7.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -4.8080 7.8430 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 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 43 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 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 38 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 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 M END