NIH-ZINC04257978 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 58 0 0 1 0 0 0 0 0999 V2000 2.7080 -3.0060 10.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -2.6160 9.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -2.5870 7.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2780 -1.6730 7.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 -2.0500 8.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -2.0870 10.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -1.7130 6.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0370 -2.7390 5.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9520 -0.7870 5.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3180 -0.7460 4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5650 -0.0280 4.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 1.4050 4.4610 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5910 1.6350 5.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2210 1.5360 4.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 2.5670 4.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7070 0.3170 3.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7410 -0.6400 3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9100 -1.8210 3.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 2.2920 3.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 2.7400 4.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 3.6990 3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 4.1760 3.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 5.1890 2.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 5.6790 3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 6.7380 2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 7.1050 1.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 -1.3090 5.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -2.0550 5.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 -2.9610 11.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -4.0430 10.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -3.3250 9.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -1.6280 9.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -3.6080 7.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -2.2490 7.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 -0.6460 7.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -3.0300 8.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2190 -1.3290 8.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -1.0720 10.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -2.4210 10.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 0.2300 6.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 -1.1170 6.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 -1.7700 4.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 -0.2700 3.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6600 0.1380 3.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4730 3.1930 3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6990 1.7730 2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 1.8740 4.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 3.2420 5.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 4.5650 3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 3.2000 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 3.3170 4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 4.6370 4.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 6.0420 2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 4.7320 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 4.8290 3.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 6.1100 4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 7.1230 3.2810 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 25 57 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 57 -1 M END