NIH-ZINC00528624 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -1.8480 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -2.6800 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -4.0510 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -4.5960 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -3.7690 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -2.3970 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 -1.4970 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0310 -6.3450 -0.0140 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 -6.5940 -0.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -6.8880 -0.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -6.8410 1.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1890 -6.9580 2.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 -6.7290 2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4280 -6.9460 3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 -7.3940 4.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -7.6250 4.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 -7.4110 3.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -7.5480 3.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -7.2300 2.3530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -2.2550 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -4.6980 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -4.1970 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 -1.2740 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -1.9970 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 -0.5700 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -6.3810 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4820 -6.7680 3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 -7.5600 5.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -7.9730 5.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 M END