NIH-ZINC03648038 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.1560 1.5880 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 0.0620 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.5090 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 0.0160 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 1.5480 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 2.1240 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 -0.4830 2.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -0.5730 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -0.2630 0.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 -1.0560 3.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4390 -1.2680 3.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 -1.7180 4.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0320 -1.7620 5.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1930 -2.0300 4.6980 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2480 -1.8870 3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -1.7210 4.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2450 -2.6410 5.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7280 -2.5630 5.9670 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4710 -1.8520 6.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2880 -3.9940 6.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7520 -4.7020 5.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 1.9640 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 1.9660 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -0.2860 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -0.3150 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -0.2610 2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.6050 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -0.3690 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 1.9190 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 1.9140 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 1.8730 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 3.2180 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 -1.2760 3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7080 -2.0310 2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9320 -0.3240 2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2800 -2.8090 3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0790 -1.0390 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4130 -1.9730 4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5830 -0.6850 4.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5720 -3.6580 5.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8080 -2.3270 6.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5650 -4.3020 7.5820 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 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 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 18 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 M CHG 1 42 -1 M END