NIH-ZINC04574689 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -0.9970 1.6940 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 0.3190 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -0.7010 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -2.1350 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.5380 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -1.5720 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -1.9390 -1.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -0.1400 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -3.9550 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -4.8600 -0.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -6.1950 0.3160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9580 -6.4460 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -7.2310 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -7.3290 -1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -8.3210 -2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 -9.0550 -1.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 -8.3420 -3.8840 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -8.9780 -4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -7.7510 -4.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -6.1950 1.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -5.0860 2.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 -2.9540 1.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 0.4670 1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 2.0480 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 2.4450 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 1.6510 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -0.4660 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -0.6100 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -0.0770 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 0.5040 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -4.1880 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -8.2180 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -6.9760 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -6.3540 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -7.6390 -2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -3.8940 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 0.8130 2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -0.4750 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 1.1990 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -7.2730 2.4630 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M CHG 1 40 -1 M END