IBS-ZINC05025188 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 0.2050 1.3730 -3.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -0.0310 -3.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.8220 -2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -2.1940 -2.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -3.0020 -1.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -2.4360 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -1.0640 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -0.2570 -1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -0.5100 0.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 0.9090 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -4.3860 -1.9530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -4.8880 -3.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -4.1390 -3.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -6.3770 -3.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -6.7320 -4.8820 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -8.4920 -4.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 -9.2460 -3.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -10.4850 -4.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -10.5990 -5.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -9.3260 -5.8680 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 -8.9440 -7.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9150 -8.7490 -6.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 -9.3880 -7.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -11.8590 -6.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -13.0390 -5.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 -14.1900 -6.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 -14.1390 -7.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 -13.0130 -7.7950 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 -11.8900 -7.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 1.5580 -2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.7450 -3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 1.8880 -4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -2.6330 -3.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -3.0640 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 0.8120 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 1.2200 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 1.3880 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 1.2010 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -4.9850 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -6.8550 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -6.7630 -3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -9.7310 -7.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -8.0140 -7.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 -8.0840 -6.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8470 -9.3220 -7.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 -9.9800 -8.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -13.0500 -5.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 -15.1190 -6.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -15.0360 -8.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 -10.9870 -7.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 29 50 1 0 0 0 0 M END