IBS-ZINC00754646 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.1120 1.5000 -0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 0.0080 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -0.5140 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -1.8830 0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -2.7300 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.2080 -1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -0.8390 -1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -4.4750 -0.0550 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -5.0250 -1.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -4.6860 1.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -5.0090 -0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -4.9050 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -5.3620 -1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 -5.2690 -2.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 -4.7360 -3.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6920 -4.6250 -4.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1610 -4.0810 -5.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 -3.6310 -5.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -3.7240 -4.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -4.2790 -3.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -4.3760 -2.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 -5.9130 0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5180 -6.2590 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9190 -7.3530 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2550 -7.7000 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2010 -6.9620 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8090 -5.8620 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4610 -5.5080 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8190 -5.0710 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4760 -4.1140 -1.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 1.8910 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 1.7240 -1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 1.9650 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 0.1470 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -2.2910 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.8700 -2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -0.4320 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -5.3940 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7150 -4.9710 -4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 -3.9970 -6.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 -3.2030 -6.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -3.3710 -4.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 -6.0590 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 -7.9340 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5600 -8.5510 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2440 -7.2360 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1520 -4.6560 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1210 -5.4110 -1.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7450 -4.8630 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 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 36 1 0 0 0 0 7 37 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 38 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 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 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 48 1 0 0 0 0 48 49 1 0 0 0 0 M END