PUBCHEM-ZINC06267861 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 72 0 0 1 0 0 0 0 0999 V2000 -1.4930 0.0440 1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -1.3700 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -1.2870 0.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -2.4650 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -2.3180 -1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -3.4340 -2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -4.7060 -1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -4.8710 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -3.7470 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 -6.1430 -2.5830 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -7.0450 -2.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -5.6740 -3.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -6.7500 -1.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 -7.8450 -1.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 -8.7330 -3.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 -9.9970 -3.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -10.5660 -1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 -9.7890 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -8.3530 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0760 -7.4960 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1140 -7.8000 0.6800 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 -7.5830 2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 -7.2370 2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -7.0890 4.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5360 -7.2700 4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6140 -7.6220 3.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3870 -7.7690 2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3730 -8.0230 1.5360 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0640 -8.8380 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4060 -8.4670 0.4010 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2390 -9.5490 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9590 -8.2310 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5900 -6.8660 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1350 -6.7260 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5150 -5.4770 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7300 -7.1380 6.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -6.1440 -0.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 0.5620 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 0.6260 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 0.0360 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -1.9230 2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -1.8580 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -1.3220 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -3.2940 -2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -5.8630 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -3.9070 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -8.3550 -3.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 -10.6450 -3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -11.6370 -1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 -10.2350 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0490 -7.1030 2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 -6.8330 4.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6060 -7.7670 4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 -8.9940 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 -8.3750 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 -6.7820 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8760 -6.0470 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5030 -5.8330 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9810 -6.6210 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8670 -4.6000 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9420 -5.5580 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3150 -5.4460 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5390 -8.0980 6.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -6.8170 6.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -6.3870 6.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 -5.7710 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6880 -6.7130 -0.1530 N 0 3 0 0 0 0 0 0 0 0 0 0 10.3440 -7.5030 -0.2510 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 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 18 2 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 36 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 34 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 67 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 34 67 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 67 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END