IBS-ZINC04085647 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0240 -0.7410 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -0.0930 2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -0.8180 3.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.1980 3.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -2.8520 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -2.1300 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -2.7510 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -2.1740 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -2.8490 -1.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.7040 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.0070 -2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 0.5880 -2.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 1.2380 -4.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 1.2980 -4.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 0.7090 -4.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 0.0510 -3.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 -0.5330 -2.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -0.4340 -3.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 1.8200 -4.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 2.4740 -5.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -4.3440 2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 -6.4690 2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -7.1260 2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -6.8160 1.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 -5.4140 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -4.7400 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -2.9070 4.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 0.9780 2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -0.3180 4.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 0.5430 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8060 -5.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 0.7580 -5.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 0.6160 -3.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -0.9030 -4.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3050 -0.9410 -3.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 2.8940 -6.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 1.7530 -6.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 3.2730 -5.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -4.6070 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -4.6570 3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -6.6550 3.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -6.8880 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -8.2060 2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 -6.7460 3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -5.2560 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 -4.9850 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -5.1310 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -3.6630 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -3.2300 4.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -5.0210 2.2000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 55 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 24 55 1 0 0 0 0 25 26 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 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 55 1 0 0 0 0 29 54 1 0 0 0 0 M END