NIH-ZINC04039421 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 69 0 0 1 0 0 0 0 0999 V2000 0.0610 1.5050 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 0.0160 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -0.7940 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -2.1200 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.1310 -0.7150 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -2.9600 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -0.8510 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -0.5540 -2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 0.5610 -3.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -1.7230 -3.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -1.5540 -4.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -3.3860 1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -0.3340 2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -0.4340 3.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -0.0280 4.7190 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3800 -0.5420 5.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -0.5770 5.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 -1.1130 4.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 -1.5830 4.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -1.0020 2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 -1.2950 1.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 -0.5470 6.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 0.6000 6.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 0.6600 9.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 1.4110 8.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 1.4700 4.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 1.9910 5.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 3.3640 6.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 4.2400 5.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 3.7320 4.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 2.3590 4.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 5.5550 5.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 6.4900 5.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 7.8440 5.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 8.9070 4.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 0.2420 2.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 1.8410 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 1.8840 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 1.9620 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -2.5450 -5.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 -0.9860 -5.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -1.0590 -4.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -3.6790 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -4.2000 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -3.2760 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 -1.5020 6.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -0.4880 7.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 1.5790 6.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6390 0.5860 6.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 1.6480 9.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -0.1310 9.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 0.5720 10.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3110 1.1770 7.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2130 2.4370 8.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0150 1.2410 9.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 1.3400 6.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 3.7570 6.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 4.3720 3.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 1.9980 3.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 6.4700 4.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 6.2600 5.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 7.9520 6.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 8.8550 3.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 9.8610 5.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 0.7740 3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4090 0.4700 8.3260 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7950 -0.4810 8.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 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 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 20 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 66 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 66 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 66 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 32 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 2 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 66 67 1 0 0 0 0 M CHG 1 66 1 M END