IBS-ZINC05453803 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 32 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2090 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4110 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 4.0870 1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 4.3860 2.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 4.3260 1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 4.6850 2.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 5.1080 4.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 5.1740 4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 4.8150 3.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 4.7720 3.4350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 5.0140 4.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 4.3300 2.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 4.6210 2.7300 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4620 4.2510 1.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 4.9400 3.6060 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2360 -2.5700 -0.0230 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.4970 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9650 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 3.9710 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 3.9460 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 3.9980 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 5.3870 4.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 5.5050 5.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END