IBS-ZINC00495092 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -1.9720 1.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -2.8680 0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 -2.7450 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 -1.6440 -0.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 -3.8600 -0.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -3.7800 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -5.0810 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 -6.0640 -0.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -5.2420 0.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -4.1360 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -3.9760 1.7470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -2.7000 1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -1.9850 2.8480 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -6.5910 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -0.5860 -1.4810 Cl 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 1.7880 -0.2080 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -0.0870 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 -7.3270 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -6.7220 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -6.7250 0.4810 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 4 1 0 0 0 0 2 19 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 14 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 M END