NIH-ZINC04039836 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 72 0 0 1 0 0 0 0 0999 V2000 -0.2170 1.4790 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 0.7670 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -0.2520 -1.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -0.9820 -2.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -0.8100 -3.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -1.9740 -3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -2.9290 -4.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -3.6090 -4.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 -3.1080 -2.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -2.1240 -2.4030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 -1.5680 -1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 -3.4470 -2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -4.6250 -4.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -4.4420 -6.3760 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8340 -5.7080 -7.2520 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3830 -5.3780 -8.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 -6.0940 -7.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 -5.1100 -7.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2880 -5.0810 -7.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 -3.9970 -6.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8850 -2.9080 -6.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5040 -7.3080 -8.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 -7.0490 -9.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 -8.0880 -12.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 -9.0140 -10.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -6.8160 -6.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -7.8040 -5.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -8.8260 -5.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -8.8680 -5.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -7.8900 -6.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -6.8770 -7.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -5.8490 -7.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -6.2590 -8.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -7.8370 -6.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -8.8270 -6.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -5.5200 -4.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -3.1820 -5.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 0.7730 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 1.9230 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 2.2690 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 0.3090 -1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 1.4810 -2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9950 -3.4160 -2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3590 -2.7450 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 -4.4520 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4820 -7.6470 -8.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7760 -8.0930 -8.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 -6.5980 -10.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3990 -6.3770 -10.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3310 -7.3960 -12.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 -7.6670 -12.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 -9.0490 -12.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 -9.3290 -9.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8800 -8.3120 -10.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1310 -9.8970 -11.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 -7.7800 -5.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -9.5830 -4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -9.6730 -5.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -7.2630 -9.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -6.1880 -8.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -5.5590 -9.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -9.8270 -6.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 -8.7760 -5.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4490 -8.6190 -6.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -3.6800 -6.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -2.4780 -6.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -4.2000 -5.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -3.0830 -4.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 -8.3330 -10.7430 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0120 -8.9870 -10.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 36 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 65 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 69 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 69 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 69 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 69 70 1 0 0 0 0 M CHG 1 69 1 M END