PUBCHEM-ZINC05850963 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 1 0 0 0 0 0999 V2000 -0.1130 1.5290 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 0.0040 0.1430 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1530 -0.3730 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -0.5460 1.2110 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4070 -0.3240 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 0.0690 1.0380 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6670 -0.2570 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 1.4840 1.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 2.0320 0.0230 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7500 1.6930 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 3.5770 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 4.2220 0.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 -0.3930 2.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -1.9740 1.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -2.2450 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 -0.4700 0.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -1.4250 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.9210 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 1.8830 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 0.1820 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 4.0180 -0.3990 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 M CHG 1 21 -1 M END