NIH-ZINC04755000 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 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 0.0220 -0.6790 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -0.1380 2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 1.0580 2.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -1.0500 3.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.3270 3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.4380 1.4010 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -3.3740 4.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -3.1410 5.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -3.9790 6.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -5.5350 4.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -4.7640 3.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 -6.2470 6.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -7.6920 6.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -8.3460 7.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -9.6700 6.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -10.3420 5.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -9.6880 4.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -8.3640 5.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7500 -1.3070 C 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 1.0620 -3.4400 5.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -2.0850 5.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -3.9050 7.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -3.6100 5.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 -5.1410 3.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -6.5910 4.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -4.7800 2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -5.2220 3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 -6.0520 6.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 -6.0390 7.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -7.8210 7.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -10.1810 7.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -11.3760 5.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -10.2120 4.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -7.8540 4.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -0.0380 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -1.3650 -1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -1.3890 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -5.3830 5.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 8 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 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 43 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 43 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 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M END