PUBCHEM-ZINC03651603
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 25 24  0  0  1  0  0  0  0  0999 V2000
    0.0760    1.4590    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0190   -0.0740   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4080   -0.5940   -0.1560 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8720   -0.2220   -1.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5900   -2.1370   -0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5130   -2.4020    0.7320 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5090    2.0060    0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5230    3.5220    0.2030 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0970    3.8070    1.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9320    4.1580    0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9470    5.0900   -0.7860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7050    4.1370   -0.8210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4570    1.8510   -0.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460    1.8340    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6210   -0.4450   -0.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4760   -0.4790    0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0860    1.5360    0.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9970    1.7360   -0.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3370    4.8090   -1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930   -2.8590   -0.8670 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.2700   -0.0650    0.9780 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.9650    0.6300    0.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7510    0.2080    1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7710   -0.9760    1.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8390    3.7190    0.8370 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  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 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5 20  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 10  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 12 19  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  CHG  1  20  -1
M  CHG  1  21   1
M  CHG  1  25  -1
M  END