IBS-ZINC04027631 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 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 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -0.0920 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 0.6120 -0.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -0.4920 -2.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -1.3430 -3.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -2.0040 -4.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 -0.8500 -4.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 -0.1480 -2.7480 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7000 -0.5020 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 1.3450 -2.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 2.0270 -3.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 1.9230 -2.8100 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 3.3740 -2.9590 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6600 3.8650 -2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7930 3.8480 -2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 3.6080 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8940 4.0820 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7420 3.8530 1.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7540 4.2020 2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9090 4.7660 1.8120 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 3.7210 -4.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6040 2.8460 -5.2540 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -2.1030 -3.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -0.7360 -4.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 -2.8620 -3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 -2.2900 -5.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 -1.2450 -4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -0.1670 -4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1850 1.3780 -2.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6560 3.2920 -2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 4.9120 -2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7720 4.1640 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 2.5440 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7570 3.5260 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0420 5.1460 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9270 3.4540 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0100 4.9180 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6230 5.0120 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6190 3.9980 3.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8040 3.6000 3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 5.0020 -4.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8320 5.1760 -5.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 25 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 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 52 2 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 54 1 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 M END