IBS-ZINC04940495 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 0.1450 2.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -0.4610 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -1.8490 3.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -2.6230 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -1.9970 1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -4.0210 2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -4.0140 3.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -2.7260 4.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -2.4670 4.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -5.2370 1.7550 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2630 -5.0800 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -5.5790 2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -6.9620 2.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -7.3540 2.7150 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -6.4290 2.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -7.7430 3.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -9.0150 3.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -9.7400 4.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -9.2080 4.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 -7.9480 3.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -7.2100 3.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 -10.2080 4.6420 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 1.2230 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1410 3.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -2.5880 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -4.8950 4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -4.8680 2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -5.5930 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 -6.5510 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -9.4310 3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -10.7240 4.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 -7.5390 3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -6.2250 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 33 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 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 M END