PUBCHEM-ZINC06027029 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 0.9870 1.7190 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 0.3430 -0.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -0.1910 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -0.4580 -1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 0.0510 -2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -0.7310 -4.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -2.0480 -4.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -2.5550 -2.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -1.7640 -1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -2.8930 -5.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -4.2230 -5.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -4.8590 -3.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -5.7590 -3.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -6.8600 -4.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -6.2160 -6.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -6.6080 -7.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 -5.8400 -8.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -6.5020 -9.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -5.7750 -10.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -4.3940 -10.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -3.7310 -9.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -4.4440 -8.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -3.6210 -12.1480 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7980 -4.2010 -13.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -2.4060 -12.1130 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5420 -5.1330 -6.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -5.0020 -7.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 2.3890 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 1.7880 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 2.0050 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 0.5760 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -1.0570 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 -0.4880 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 1.0660 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.3360 -4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -3.5700 -2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 -2.1540 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -2.4520 -6.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -5.4560 -3.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -4.0800 -2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -6.2130 -2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -5.1600 -4.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -7.4570 -4.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -7.4970 -4.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 -7.4860 -7.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -7.5800 -9.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -6.2850 -11.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -2.6530 -9.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -3.9250 -7.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 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 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 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 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END