PUBCHEM-ZINC05428876
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0160    1.3570    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060   -0.7050   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3990   -0.0500   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4200    1.3550   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1960    2.0690    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160    3.4730    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100    4.1290    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6140    3.4280   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320    2.0670   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4360    6.2240    0.0130 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880   -2.1860   -0.0200 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1260   -2.7810   -0.0130 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2350   -2.8080   -0.0330 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9570    1.8870    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9300   -0.5490    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3240   -0.6070   -0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2910    4.0300    0.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5470    3.9720   -0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5730    1.5360   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1  12   1
M  CHG  1  14  -1
M  END