IBS-ZINC04040060 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 55 0 0 0 0 0 0 0 0999 V2000 -0.0310 0.8810 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.1170 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.5290 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 0.1060 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 1.1020 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 1.5020 1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 1.4690 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 0.6760 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 -0.1510 -0.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 0.7950 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3680 1.7470 0.7930 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6670 2.4730 1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3590 2.3990 1.9710 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 0.0520 -0.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7480 0.5850 -1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8790 -0.4140 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2010 -2.2830 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0710 -1.2600 -1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6380 -2.7790 -1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5600 -3.7420 -2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2390 -4.9340 -2.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8500 -5.3010 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9480 -5.5530 -3.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3620 -6.7670 -4.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8570 -7.0870 -5.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9820 -6.2280 -6.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5820 -5.0160 -5.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0790 -4.6780 -4.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8450 -3.5620 -3.7860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 1.1820 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -0.5810 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -1.3000 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 2.2790 2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2350 3.2080 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6560 0.7530 -2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0190 1.5530 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8050 -0.0800 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0440 -0.5630 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3510 -2.4650 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9720 -3.2270 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 -1.6550 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8460 -1.1850 -2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5620 -3.2640 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5870 -2.2340 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0410 -7.4350 -3.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1530 -8.0230 -6.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6070 -6.5050 -7.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9040 -4.3490 -6.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5230 -1.7640 -1.6700 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3870 -1.6570 -2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 49 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 43 1 0 0 0 0 19 44 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 29 2 0 0 0 0 21 22 1 0 0 0 0 21 23 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 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END