PUBCHEM-ZINC05850672 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 0.0080 1.7370 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 0.2450 0.1590 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2130 0.0300 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -0.2450 0.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 0.7620 0.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 2.0420 0.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8770 2.8130 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 2.4850 -1.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 1.5260 -2.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -0.4450 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -1.9690 0.9000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1770 -2.3500 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -2.7240 1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 -3.6350 0.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 2.2860 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 1.9720 1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 0.4650 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -0.1550 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -0.0860 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 3.7280 -1.6840 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5430 -2.3750 2.8320 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2200 -2.4470 -0.5360 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3360 -2.7860 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -1.8120 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -3.2730 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 M CHG 1 20 -1 M CHG 1 21 -1 M CHG 1 22 1 M END