IBS-ZINC04622057 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 0.5830 1.2560 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -0.1510 0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -0.6840 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 0.0570 -2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -0.5690 -3.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 -1.9510 -3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -2.6970 -2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -2.0750 -1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -2.7250 -0.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -4.1420 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -4.7100 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -3.8880 2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -4.4200 3.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -5.7820 3.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -6.6150 2.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -6.0840 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -7.1760 -0.2250 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 0.2250 -4.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 1.1660 -5.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9570 1.6630 -4.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 2.2520 -5.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1010 2.7090 -4.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1570 2.5730 -3.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0840 1.9810 -2.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9810 1.5230 -3.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 1.5820 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 1.7900 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 1.5020 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 1.1280 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -2.4670 -4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -3.7650 -2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -4.3770 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -4.6050 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -2.8190 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -3.7660 4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 -6.1940 4.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -7.6780 2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -0.2380 -5.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 1.2450 -4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 2.0170 -5.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 0.5410 -6.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9310 2.3590 -6.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9250 3.1730 -5.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0190 2.9230 -2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0860 1.8580 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9290 0.3180 -4.3190 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1510 0.7230 -3.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3530 -0.6170 -4.2740 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 18 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 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 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 46 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 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 M CHG 1 46 1 M END