NIH-ZINC02938660 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.0430 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -4.7540 -1.1490 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7800 -4.6160 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -5.9220 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 -7.1510 -1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -7.0980 -1.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 -8.3090 -1.9940 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -9.5040 -2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 -10.6720 -2.5890 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0530 -10.8140 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -11.9650 -2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -12.6850 -3.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -11.7420 -4.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 -10.4380 -3.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 -3.4970 -0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4440 -2.5300 -1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -1.5450 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3350 -1.9680 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 -3.1540 0.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -5.5350 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8930 -6.1160 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0580 -5.6690 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1860 -8.3510 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -9.3090 -3.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -9.7560 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -11.7260 -3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -12.5770 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 -12.8030 -4.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 -13.6540 -3.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 -11.7330 -5.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5640 -12.0490 -3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -2.5100 -2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5840 -0.6280 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8600 -1.4460 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 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 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 M END