NIH-ZINC03958835 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 -0.2010 1.7970 0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 0.2840 0.4380 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1650 -0.1160 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -0.3730 1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -1.7930 1.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -2.1250 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -1.3830 -1.1500 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9800 -1.5040 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 0.0060 -0.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -1.9550 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -2.9820 2.3260 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -4.1150 1.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -2.3790 3.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -3.4290 2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -4.4370 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -4.7890 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 -4.1310 1.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5210 -3.1200 2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -2.7760 2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1860 -4.4860 1.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 -5.7650 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 -6.6260 1.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9360 -6.1270 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0330 -7.6310 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4180 -7.9820 0.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9320 -7.9890 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3300 -7.7100 -1.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3510 -8.3950 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3590 -8.5750 -1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6190 -8.9730 -1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8760 -9.1920 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8770 -9.0160 0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6130 -8.6180 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3420 -8.3450 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1640 -8.4320 2.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 2.1970 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 2.2640 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 2.0080 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 0.1170 1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.2870 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 -1.8120 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -3.2000 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -1.8320 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 -1.4270 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -3.0150 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -4.9480 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -5.5750 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3010 -2.6070 3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -1.9930 3.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8810 -3.8100 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5830 -5.8620 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2520 -5.5810 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3870 -7.8950 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 -8.1760 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1640 -8.4050 -2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4060 -9.1130 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8620 -9.5020 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0840 -9.1880 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 34 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 M END