IBS-ZINC04273370 MOE2007 3D CORINA 3.40 0006 02.08.2006 81 85 0 0 1 0 0 0 0 0999 V2000 1.4110 -0.2200 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -1.7100 0.8870 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6130 -2.2150 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -2.3210 1.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6990 -3.8180 1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 -4.1530 0.0760 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5170 -4.0720 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -4.6360 -1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 -3.8280 -2.6610 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7410 -3.5090 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -3.4330 -3.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -3.7060 -4.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 -3.7470 -5.0570 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8800 -2.6980 -5.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 -4.5670 -4.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7150 -4.8180 -4.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8570 -5.3300 -5.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 -4.2760 -6.7340 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6690 -3.2980 -6.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 -4.1900 -6.5030 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1710 -3.1020 -7.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -3.4400 -8.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 -3.4450 -9.0990 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3820 -2.4380 -8.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 -4.4280 -8.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2100 -4.0900 -8.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 -5.8540 -8.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 -3.8060 -10.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 -5.4980 -6.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -5.9270 -3.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -3.3280 -0.9210 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2000 -3.8010 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -1.8760 -0.5750 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1490 -1.5080 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -0.9660 -0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9530 -2.5210 -2.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -5.6100 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -5.8970 -0.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 0.2850 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 0.2150 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 -0.1000 2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 -1.8620 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -2.1440 2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 -4.2680 2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 -4.2670 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -3.0510 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0350 -4.6760 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9430 -4.5330 -1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 -5.6910 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -3.1350 -2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -4.6340 -4.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -2.8950 -5.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3170 -3.9140 -4.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1270 -5.5800 -3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9270 -5.4360 -6.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -6.2930 -5.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 -3.0540 -7.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -2.1440 -7.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 -4.3940 -9.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 -2.6650 -9.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7680 -4.7730 -7.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5540 -4.1940 -9.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3700 -3.0650 -7.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 -6.0900 -8.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -5.9370 -9.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0120 -6.5510 -8.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -3.2060 -11.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -5.4460 -6.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 -5.6630 -7.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5550 -6.3220 -6.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 -5.7690 -3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -6.4750 -4.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 -6.5010 -3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 -1.2430 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 -1.0710 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 0.0690 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9830 -2.7460 -3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 -1.9090 -3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 -1.9770 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -6.5710 0.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 -7.4780 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 48 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 18 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 28 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 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