PUBCHEM-ZINC06095483
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3800    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   -0.6860   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970    0.0110   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3850    1.4070   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1660    2.0890    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5510    2.0970   -0.0210 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.4400    2.6240   -0.0260 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6840   -0.7200   -0.0370 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6920   -1.9380   -0.0430 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7340   -0.1040   -0.0430 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9600    1.9060    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270   -0.5540    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130   -1.7660   -0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500    3.1680    0.0080 H   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 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  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  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  3  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9   1
M  CHG  1  11  -1
M  END