NIH-ZINC04039239 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 66 0 0 1 0 0 0 0 0999 V2000 0.0530 1.7610 0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 0.2800 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -0.4440 1.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -1.8050 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -2.3920 0.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -2.4170 2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -3.7650 2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 -3.8290 3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 -2.5330 4.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -1.7000 3.2680 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -0.6890 3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 -1.9880 5.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -5.0010 4.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 -5.4820 4.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 -6.6500 5.3280 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3360 -7.5860 4.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1370 -6.6090 5.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 -5.6240 4.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6560 -5.3570 3.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 -4.9120 3.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3050 -4.0510 2.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0870 -7.5330 5.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5030 -8.6390 4.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6280 -9.4750 5.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8330 -10.0810 3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8180 -11.6570 5.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 -6.5930 6.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 -7.6790 7.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 -7.5980 8.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 -6.4290 9.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 -5.3640 8.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 -5.4680 7.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 -5.5790 5.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -4.9140 1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 2.0000 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 2.3580 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 2.0550 1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 0.0530 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -0.0030 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 -2.0320 4.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 -0.9440 5.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4930 -2.5600 6.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9720 -6.9490 5.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 -7.9580 6.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6380 -9.2710 4.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 -8.1880 3.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5170 -8.8770 5.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2770 -9.9580 6.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7220 -9.5570 3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1930 -9.4180 2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1100 -10.9450 2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1790 -12.0540 5.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7310 -11.2180 5.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0510 -12.4500 4.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 -8.5960 6.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 -8.4230 9.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 -6.3170 10.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1010 -4.5840 7.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -6.2960 5.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -4.8260 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -5.8720 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -4.9430 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0520 -10.5800 4.3920 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1980 -11.0250 4.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 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 34 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 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 33 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 27 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 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 63 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 63 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 63 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 63 64 1 0 0 0 0 M CHG 1 63 1 M END