IBS-ZINC01272616 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 32 0 0 0 0 0 0 0 0999 V2000 -0.0150 1.3610 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.0360 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -0.7240 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 0.0260 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 1.4230 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 2.1060 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 3.6120 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 4.2970 1.6750 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 5.9840 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 6.5620 0.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 6.6580 3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 7.9040 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 8.1380 1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 6.8860 2.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 9.4240 2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 10.4490 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 10.1430 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 8.8960 -0.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 12.2490 1.9640 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -2.2350 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -2.8450 0.1100 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9800 1.8610 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -0.5980 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -0.4870 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 1.9720 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 3.9950 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 3.9510 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 9.6070 3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 10.9350 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -2.7870 0.0610 O 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 20 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 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 15 28 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 29 1 0 0 0 0 20 21 1 0 0 0 0 20 30 2 0 0 0 0 M CHG 1 21 -1 M END