NIH-ZINC04104058 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 62 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0240 -0.8570 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.1030 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -1.9470 -0.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7780 -1.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -3.4060 1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -0.4040 2.8320 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -1.5020 3.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 0.9130 2.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 -0.2990 3.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -1.4740 3.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -1.6880 3.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3620 -0.4000 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 0.7290 2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 0.9720 3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6560 -0.6170 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8930 -1.6950 1.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5480 0.3870 2.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8060 0.1760 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6320 1.4630 1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9260 1.2460 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0410 0.7890 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2300 0.5880 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3050 0.8450 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1830 1.3050 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9960 1.5100 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2520 1.5580 -2.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0600 2.0280 -3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4740 0.6470 -1.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.5850 0.1730 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -3.7350 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -4.1600 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -3.2670 2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -2.3530 3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -1.3050 4.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -1.9460 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1070 -2.4960 3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5780 -0.1290 4.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 0.4480 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 1.6400 2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 1.3360 4.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 1.7060 2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3580 1.2500 2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5900 -0.0960 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3680 -0.6270 2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8470 1.7350 2.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0700 2.2660 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9830 0.5880 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0990 0.2310 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1240 1.8710 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2520 2.1900 -4.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7500 2.9660 -2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2700 1.2860 -3.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3350 -0.7900 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8150 0.8890 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4510 0.0590 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 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 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 M END