ASINEX-ZINC04892965 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 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 1.2070 0.1370 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4900 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -1.8700 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -2.6300 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0080 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.7540 0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -4.1740 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -4.8390 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -6.6380 -0.7820 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -7.1320 -2.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -8.4250 -2.6240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -9.2210 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -8.3870 -3.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -9.3600 -4.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3400 -8.9890 -5.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 -7.6480 -6.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -6.6680 -5.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -7.0280 -4.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -6.3130 -3.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4690 -7.1610 -7.6790 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 1.1650 1.2150 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1000 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -2.3560 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -3.7080 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -4.4700 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -4.4890 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -4.5430 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -4.5250 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 -10.4050 -4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -9.7480 -6.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -5.6260 -5.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 M END