PUBCHEM-ZINC05515548 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 22 0 0 1 0 0 0 0 0999 V2000 -0.8400 1.2110 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -0.1290 0.2020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7040 -0.0550 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -0.3510 1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -1.0230 2.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 -0.8610 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 -0.4080 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 -0.6910 -0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -2.5910 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -2.8610 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -1.9300 -2.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 1.9790 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 1.5910 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 1.1340 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -1.7680 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -0.1100 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -3.3070 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -2.7970 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 0.1600 1.8630 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0750 -1.2170 -0.3130 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8050 -1.2940 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 0.1670 -2.1640 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1510 -4.0100 -1.5310 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 4 5 2 0 0 0 0 4 19 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 20 21 1 0 0 0 0 M CHG 1 19 -1 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 23 -1 M END