PUBCHEM-ZINC05131713
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 16  0  0  1  0  0  0  0  0999 V2000
   -0.0190    1.5260    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4500   -0.3660    0.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4080   -0.5250   -0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8300   -0.8980   -1.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560    2.0330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5930    3.4140    0.0050 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6570    4.1920    0.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7360    3.8350   -0.0040 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5460    1.8870   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290    1.8770    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750   -1.4820   -1.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1020    1.4130   -0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1940   -0.5750    0.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920   -0.4770   -1.1430 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3970   -0.1540   -2.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0900   -0.9170    0.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 12 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  END