NIH-ZINC04144284 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.0910 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 1.8960 3.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 1.8830 3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 1.5420 2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 1.6430 2.9120 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 2.1340 4.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 2.1940 4.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0130 2.4270 5.4870 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3280 2.3320 5.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6910 1.9890 4.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3290 2.6430 6.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9150 3.0370 7.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8550 3.3270 8.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2040 3.2280 8.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6210 2.8380 6.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6920 2.5510 5.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3420 2.7150 6.5840 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.4610 1.8100 5.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9980 2.5230 7.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8320 4.1930 6.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8230 4.6000 4.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3630 6.0390 4.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6460 6.3460 6.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3200 5.2310 6.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5030 5.2740 8.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0060 6.4090 8.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3320 7.5140 8.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1430 7.4830 6.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 1.1450 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 1.2250 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 0.0340 2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 1.4400 4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 2.9220 3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 2.7010 6.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8620 3.1140 7.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5360 3.6320 9.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9360 3.4560 8.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0180 2.2510 4.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8060 4.5750 4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4720 3.9490 4.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6130 6.7250 4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2800 6.0980 4.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2510 4.4140 8.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1450 6.4360 9.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7260 8.4020 8.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3980 8.3450 6.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 0.0640 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 1.6400 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 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 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M END