NIH-ZINC04058443 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -1.4820 -0.5100 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 0.0090 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 1.5410 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -0.5160 1.2280 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7210 -0.0320 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -2.0310 1.2210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0560 -2.5120 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -2.7020 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -3.9530 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -3.8050 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -2.4070 2.4490 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7030 -1.8120 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -2.1000 3.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -2.8590 4.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -2.4780 5.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -1.3500 5.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -0.5810 4.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -0.9340 3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -0.1560 2.4810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -3.4820 7.4650 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -3.2650 8.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -4.8270 6.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -2.8970 8.2990 N 0 5 0 0 0 0 0 0 0 0 0 0 1.3590 -1.9670 8.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 -0.2090 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -0.1130 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 -1.6000 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -0.3360 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 1.9840 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 1.9310 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 1.8910 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -2.9280 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -2.1170 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -4.8510 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -4.5640 2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -3.7360 4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -1.0670 6.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 0.2980 4.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 0.6920 2.5230 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 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 M CHG 1 23 -1 M END