PUBCHEM-ZINC04202505 MOE2007 3D CORINA 3.40 0006 02.08.2006 20 20 0 0 1 0 0 0 0 0999 V2000 0.2370 0.9110 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.5720 0.1750 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0380 -0.8340 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -0.0490 2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 1.4570 2.2120 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7270 1.9540 2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 2.1040 2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 3.3330 2.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -1.3610 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 -1.3570 -0.8400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 1.1740 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 1.1330 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -0.2460 3.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -0.3540 2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.9250 1.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -0.6890 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 1.7830 0.8190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 1.5780 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 1.3300 2.4790 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0560 -1.9010 -1.7970 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 M CHG 1 19 -1 M CHG 1 20 -1 M END