NIH-ZINC00251584 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.3510 1.9800 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 0.4870 -0.0720 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3240 0.3900 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -0.2960 -1.1820 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1280 -0.0130 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -1.8050 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -2.6520 -2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -4.0140 -1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -4.1690 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -2.6820 0.3140 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 0.4270 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 0.5600 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 1.5440 -1.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 1.1840 -2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 1.0720 -2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 -0.0530 0.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -0.2270 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 0.1160 2.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -0.8390 1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 -0.4520 2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5050 -1.0380 2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9620 -1.9680 1.7860 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1290 -2.3370 0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 -1.8100 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 2.4920 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 2.1350 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 2.4780 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -2.3180 -3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -4.8400 -2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -5.0880 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -0.3570 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 1.3820 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 0.8840 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 -0.3970 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 1.9630 -3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 0.2440 -2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 2.0270 -2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 0.7170 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -0.2760 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 0.2870 3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1920 -0.7680 3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5210 -3.1010 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -2.1820 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 0.0620 -1.3170 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4940 -0.8180 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 44 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 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 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END