IBS-ZINC02291038 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 58 0 0 1 0 0 0 0 0999 V2000 0.7430 1.6720 -2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 0.2900 -2.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -0.4760 -2.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 0.1140 -1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 1.5260 -1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 2.2780 -2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 2.1690 -1.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2050 1.3620 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 1.7120 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1800 0.5150 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2770 -0.5460 -0.6090 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0800 -0.0170 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9450 -0.6810 -1.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5110 -1.9210 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3400 -2.2750 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5580 -3.6180 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -4.6010 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1020 -4.2680 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 -2.9240 -1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2330 -6.3350 0.6940 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9780 -7.0040 -0.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6340 -6.3190 1.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -6.6890 1.8490 N 0 5 0 0 0 0 0 0 0 0 0 0 5.2890 -6.6190 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4970 0.3450 -0.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1130 3.0410 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2910 3.2190 -0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2410 4.0660 -0.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6160 5.4680 -0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8380 5.9750 -2.3610 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5310 5.3110 -2.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3290 7.4150 -2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0470 8.2040 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 7.3070 -3.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 5.9590 -3.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 2.2830 -2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 -0.1950 -2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -1.5600 -2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 3.3620 -2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7830 -1.5240 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1930 -3.8940 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 -5.0420 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2440 -2.6880 -1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0980 1.1610 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9710 -0.5520 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2810 3.8310 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 6.0020 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 5.6020 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9540 7.6970 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9170 7.5740 -3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5960 8.3050 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 9.2040 -2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 7.4400 -3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3950 7.4760 -4.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 0 0 0 0 32 33 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 M CHG 1 23 -1 M END