IBS-ZINC04041427 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 59 0 0 1 0 0 0 0 0999 V2000 0.1500 0.6320 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 1.2570 3.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 2.0440 3.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 3.5200 3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 4.4190 4.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 5.7610 4.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 6.2380 3.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 5.3810 2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 3.9950 2.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 3.0240 1.5730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3940 3.1650 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 3.2910 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 2.8360 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 1.7500 0.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 3.7080 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 3.3440 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9550 4.0720 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 5.2710 -2.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0560 5.6240 -2.6010 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2550 6.4610 -3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9930 4.6760 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3310 3.6840 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0840 2.5860 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4560 2.5190 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0830 3.5250 -2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3630 4.6240 -2.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 5.7300 1.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 7.0750 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 7.5950 3.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 7.9060 4.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 6.7430 5.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -0.4040 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 0.8670 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 0.8020 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 1.5350 3.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 0.1820 3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 1.7420 3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 1.8210 4.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 4.0790 5.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 4.3450 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 2.7330 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 4.6250 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 2.4070 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9710 5.9120 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 1.7940 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0350 1.6740 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1490 3.4560 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8560 5.4070 -3.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 7.1380 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 7.7580 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 7.3650 2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 8.4050 5.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1290 8.5940 4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 1.5260 1.9010 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8100 1.2680 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 54 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 54 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 54 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END