PUBCHEM-ZINC04202316
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0190    1.3700   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0130   -0.0300    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1890   -0.7530    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3830   -0.0080    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    1.3950   -0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1780    2.1010   -0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1640    3.6120   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2930    4.1940   -0.1670 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6770   -0.6740   -0.0140 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5220   -0.2940    0.8070 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8420   -1.5770   -0.8460 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1730   -2.2620    0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -2.7620    0.5720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9720    1.8980   -0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9680   -0.5520    0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3270    1.9490   -0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3330   -2.6600   -0.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9480   -2.6360    0.7650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020   -3.7310    0.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0290    4.1820   -0.1280 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  CHG  1   8  -1
M  CHG  1   9   1
M  CHG  1  11  -1
M  END