PUBCHEM-ZINC01532901 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 1 0 0 0 0 0999 V2000 0.0140 1.4240 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -0.0370 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -0.5080 1.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -0.7480 -0.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -2.1870 -0.2440 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2550 -2.6980 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 -2.4870 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -2.2010 2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -2.6700 2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -3.3570 3.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -2.7500 -1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -1.8600 -2.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 1.8360 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.5680 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 1.9520 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -0.3120 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -1.9060 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 -3.5420 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -2.7140 2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -1.1280 2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 -2.3070 2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -4.0020 -1.7900 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 M CHG 1 22 -1 M END