CHEMBRIDGE-ZINC04020592 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 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 0.6060 -0.6070 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1610 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -0.4550 -3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -1.8350 -3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 -2.6020 -2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -1.9910 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8280 -0.0270 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3900 -2.1910 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -3.7470 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -5.1020 0.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 -5.0020 -0.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -3.7860 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -3.3950 -1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 -4.2570 -1.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 -3.6450 -2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -2.3090 -2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 -1.7420 -1.6120 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -6.2920 0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -7.5130 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -8.6890 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 -8.6520 1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0590 -7.4370 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -6.2580 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 -10.2650 1.9800 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 1.1260 1.2390 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 0.1430 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -2.3140 -4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -3.6800 -2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -3.6000 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -3.5700 1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -5.3300 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -4.2050 -2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 -1.6720 -2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -7.5430 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -9.6390 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 -7.4120 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -5.3100 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END