NIH-ZINC04042234 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -1.0300 1.4440 2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -0.0460 2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -0.5810 1.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -1.9010 1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -2.6660 2.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -4.0040 2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -4.5970 1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -3.8240 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -2.4860 0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -1.5270 -0.8120 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -6.0280 1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -6.5530 2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -8.0110 3.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7530 -8.4220 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -8.0650 4.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -6.8160 4.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 -6.5260 5.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -5.8400 3.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 -4.6300 3.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 -9.2840 4.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9210 -9.5890 4.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -11.9830 4.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -11.0070 4.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -8.7840 3.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -9.5460 2.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -10.2560 2.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -10.2040 3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -9.4430 4.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -8.7370 4.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -6.8270 0.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 1.5750 1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 1.8520 3.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 1.9670 2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.1760 3.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -0.5690 3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -2.2080 3.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -4.5970 3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -4.2760 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 -9.1410 5.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -10.1170 4.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -9.7320 3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 -8.7560 4.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -12.1030 3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 -11.8410 4.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0660 -12.8740 5.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4490 -10.1560 4.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9620 -11.0920 3.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2340 -11.9190 5.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -9.5870 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -10.8500 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 -10.7580 3.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -9.4020 5.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -8.1450 5.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -7.7500 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4530 -10.8120 4.9160 N 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 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 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 2 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 30 54 1 0 0 0 0 M END