PUBCHEM-ZINC03995770
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  1  0  0  0  0  0999 V2000
   -0.0450    1.1700   -0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690    0.0860   -0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3270    1.8320   -0.2110 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4100    2.8350    0.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.7040   -1.4590 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7820    0.9400   -2.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1200    2.9110   -2.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1710    4.0620   -1.6190 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4970    0.9640    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2300    0.6610   -0.9920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1010    1.8140    0.7420 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2010    2.8860    0.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4980    1.0970    0.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5280   -0.0920    1.0790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8600    2.7250   -3.1050 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7130    0.5840    1.2010 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.4410    1.7840    0.1350 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6490    1.6310    2.1570 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3740    1.6560    2.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8940    0.6580    2.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  1  15  -1
M  CHG  1  16  -1
M  CHG  1  17  -1
M  END