NIH-ZINC04042234 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 0.9750 -2.2320 -6.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -2.7540 -4.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -3.6640 -4.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -4.2530 -3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -4.0350 -2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -4.6780 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5740 -5.5440 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 -5.7850 -2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -5.1370 -3.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -5.4620 -5.0590 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -6.1900 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -6.6430 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 -5.7030 0.2020 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6430 -5.1340 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 -6.6560 0.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -7.9650 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8860 -8.9890 0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -7.9290 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -9.0370 0.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0630 -6.2730 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5750 -6.2710 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3730 -5.4460 -2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9920 -6.8420 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 -4.7720 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 -3.3980 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2850 -2.5210 2.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4630 -3.0050 3.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6730 -4.3660 3.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7100 -5.2450 2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -6.2910 1.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -1.5270 -6.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -3.0580 -6.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -1.7310 -6.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -3.2660 -4.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -1.9100 -4.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -3.3710 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -4.4920 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 -6.4830 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6230 -7.0040 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1910 -5.2900 0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9830 -5.5660 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5000 -7.2610 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2580 -6.3290 -3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7000 -4.6440 -3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4050 -5.0870 -2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7910 -6.9810 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8650 -7.7760 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0030 -6.4470 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1710 -2.9940 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 -1.4600 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 -2.3230 4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 -4.7450 4.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8630 -6.3040 2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -9.8060 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0210 -5.8250 -1.3830 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.1300 -4.9680 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 30 2 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 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 18 1 0 0 0 0 18 19 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 55 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 55 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END