IBS-ZINC05427922 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0210 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -0.5030 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -0.3600 2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -0.7890 3.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -1.3650 3.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -1.5090 2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -1.0810 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -1.2920 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -0.3760 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -0.4760 -1.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -1.0970 -2.4880 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -1.9310 -3.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -1.5600 -1.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 0.2480 -3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 0.6730 -4.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 1.7490 -5.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 2.1980 -4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 1.2310 -3.4730 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.7860 4.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -2.9110 5.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -2.4700 6.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -1.8600 5.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -0.6480 4.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 0.0890 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 -1.9570 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 -1.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 -2.3300 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 0.6520 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -0.6950 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 0.2120 -4.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 2.1910 -6.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 3.0260 -5.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 -3.5980 4.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 -3.4210 5.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -3.3350 6.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -1.7330 6.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -2.5690 4.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -1.6480 6.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END