NIH-ZINC04144556 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0320 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4250 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 -0.6900 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 -2.0180 -0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1470 -2.2360 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7640 -1.1060 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 -0.1490 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2190 -0.9350 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7060 -0.8690 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9150 -0.9560 -2.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0200 -0.7130 -1.7500 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5080 -0.6460 -3.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3070 0.6510 -3.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2770 0.7580 -2.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7880 0.6920 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9880 -0.6000 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8910 0.9500 -2.5260 S 0 0 0 0 0 0 0 0 0 0 0 0 13.5830 0.4760 -1.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1080 0.4350 -3.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2030 2.6820 -2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5530 3.3800 -1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7980 4.7390 -1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6930 5.3990 -2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3420 4.6990 -3.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1030 3.3400 -3.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9990 7.1060 -2.8440 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -1.7600 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9830 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1710 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4800 -0.0110 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -1.7790 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1520 -1.5030 -3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6620 -0.6510 -3.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8360 0.6280 -4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6300 1.5040 -3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6340 0.6970 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1440 1.5480 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4590 -0.5740 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6670 -1.4530 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6340 2.8650 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0700 5.2850 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2600 5.2140 -4.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8340 2.7930 -4.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 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 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 M END