IBS-ZINC03982453 MOE2007 3D CORINA 3.40 0006 02.08.2006 80 83 0 0 1 0 0 0 0 0999 V2000 1.1590 -1.1860 1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 -0.3210 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -0.5030 -0.7670 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2200 0.0820 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -0.0290 -0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 1.4790 -0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 1.9340 -0.5830 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3630 1.3470 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 1.7330 -1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 3.4150 -0.2050 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4070 4.0230 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 3.6530 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 4.2990 2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2230 4.9410 1.0910 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7940 5.8520 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3260 3.8440 -0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0180 4.4700 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4480 4.8230 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4570 5.7580 0.4420 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0140 6.7080 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6220 5.2100 1.6160 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0680 4.2890 1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5590 6.2760 2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9540 6.6630 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9720 6.5620 2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8880 6.0150 0.8830 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5600 7.0090 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9940 7.2680 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9760 7.9150 1.7840 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9950 8.1590 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3360 6.9950 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1920 9.1090 1.7420 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6600 4.6970 0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 2.6650 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -1.9820 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -2.4570 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -2.1650 -2.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -2.2340 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -0.8910 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.0490 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -0.6210 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 0.7270 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -0.5480 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -0.2450 -1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 2.0030 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 1.7040 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 1.9770 -1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3010 0.6940 -2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 2.3840 -2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 4.3280 1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 2.7040 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 5.0570 2.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 3.5400 2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 3.7590 -2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4890 5.3730 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9780 3.9060 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9630 5.3080 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 7.1530 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0340 5.8740 3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1210 7.0430 4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5740 6.5950 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0020 7.9460 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5360 6.3240 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4890 7.9360 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2280 7.4900 3.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9820 6.1230 2.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1370 9.5730 2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6430 4.3370 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6920 4.8570 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1940 3.9570 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 1.8940 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1540 3.0050 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 2.2550 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -2.5680 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -1.8720 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -3.5110 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -2.3270 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -1.8270 -2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -3.2190 -2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.5800 -3.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 35 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 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 58 1 0 0 0 0 23 59 1 0 0 0 0 24 25 2 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 31 1 0 0 0 0 26 27 1 0 0 0 0 26 33 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 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