IBS-ZINC02239803 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -0.1780 3.2460 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 2.0320 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 1.0150 -0.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8660 1.5830 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -0.1370 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 0.5070 -1.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 0.5290 -0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 0.9060 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 0.9030 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 0.5110 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 0.1160 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 0.1180 -1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -0.2760 -3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 -0.2920 -3.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -0.0320 -2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -0.3060 -2.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -0.5960 -4.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -1.2880 -5.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 0.0540 -5.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -0.0270 -6.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -0.9930 -7.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -1.0710 -8.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -0.1840 -9.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 0.7900 -8.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 0.8700 -7.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 2.2210 -5.9500 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 1.9620 -4.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 1.9870 -5.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 3.5720 -6.6600 N 0 5 0 0 0 0 0 0 0 0 0 0 1.4950 3.6390 -7.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -0.5990 -3.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 3.9640 -1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 2.9670 -2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 3.7500 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 1.5720 -1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 2.3840 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -0.7090 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 0.2430 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -0.8310 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 1.1950 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9430 1.2040 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6500 0.5080 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 -0.1900 -2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 0.7110 -4.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -1.7210 -7.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -1.8330 -9.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -0.2480 -10.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 1.4880 -8.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0660 -0.9770 -4.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 44 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 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 31 49 1 0 0 0 0 M CHG 1 29 -1 M END