PUBCHEM-ZINC05543469 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 74 0 0 1 0 0 0 0 0999 V2000 0.2020 1.4440 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -0.0840 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -0.4960 0.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -1.8150 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -2.5990 -0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -2.3180 1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -3.8470 1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 -4.3580 3.2350 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7380 -3.9010 4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -5.8560 3.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -6.5560 3.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -6.4120 3.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -7.8600 3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -8.3060 3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6390 -4.0040 3.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 -3.8790 4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -4.0600 5.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7460 -3.5240 4.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 -3.3940 5.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7840 -3.0620 5.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4360 -2.8560 4.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7390 -2.9840 3.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4050 -3.3210 3.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7850 -2.5200 4.3200 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2700 -2.3490 2.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7340 -1.9040 2.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5340 -2.9080 3.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0490 -3.0790 5.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5850 -3.5240 5.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8970 -2.5690 3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8320 -3.4160 3.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1110 -3.0650 3.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5020 -1.9210 3.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6410 -1.0830 4.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3430 -1.3640 4.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4430 -0.4790 4.8110 N 0 0 0 0 0 0 0 0 0 0 0 0 17.8490 -1.5920 3.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4020 -4.7220 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 1.8090 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 1.7530 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 1.8570 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -0.4490 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -0.4970 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -1.9790 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -1.9310 2.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -4.1860 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -4.2340 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -8.2920 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -8.1980 4.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -7.9680 2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 -9.3940 3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -7.8750 4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 -3.8600 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 -3.5530 6.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3280 -2.9620 6.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2470 -2.8230 2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -3.4250 2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1880 -3.2960 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 -1.5920 2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1050 -1.8050 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8120 -0.9450 3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6490 -3.8360 5.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1310 -2.1330 5.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2140 -3.6240 6.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5070 -4.4840 4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5140 -0.7360 4.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7430 0.3950 5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4910 -2.1970 3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1490 -0.7580 4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1710 -4.5660 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2080 -5.4500 2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5160 -5.0930 3.0000 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 42 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 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 10 1 0 0 0 0 8 15 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 48 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 53 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 38 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 37 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 M END