IBS-ZINC04733052 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 59 0 0 1 0 0 0 0 0999 V2000 -0.0850 0.7170 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -0.3450 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -0.8280 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -0.2480 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 0.8150 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 1.2970 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 -0.7750 -0.1420 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8630 -1.8640 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7720 -0.3090 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 0.9840 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 1.7720 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 3.0620 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 4.1840 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 5.3420 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 5.3800 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 4.2630 -1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 3.1000 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 1.8770 -1.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 1.2910 -1.4270 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4610 -0.2260 -1.4220 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5110 -0.5180 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 -0.7570 -2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 -0.2750 -3.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0210 1.2460 -3.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 1.7640 -2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 1.5330 2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 1.2710 3.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6150 1.7850 4.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7070 2.5580 4.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9770 2.8220 2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1600 2.3090 1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 1.0970 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -0.7980 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -1.6580 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 1.2680 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 2.1270 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0740 -0.9840 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2090 4.1590 1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 6.2360 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 6.3020 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 4.3010 -2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 -1.8460 -2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -0.3700 -2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -0.7180 -3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 -0.5960 -4.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 1.5470 -4.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 1.6870 -4.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 2.8540 -2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4770 1.3560 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 0.6670 3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4100 1.5830 5.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3520 2.9580 4.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8310 3.4260 2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 2.5120 0.6610 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 M END