HMDB0250857
     RDKit          3D
Dapansutrile
 15 14  0  0  0  0  0  0  0  0999 V2000
   -2.3608    0.6283   -0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6381    0.9284    0.2907 S   0  0  0  0  0  6  0  0  0  0  0  0
   -0.1383    2.1098   -0.4933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4195    1.2056    1.7539 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2719   -0.5230   -0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7650   -0.3293    0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5321   -1.4893   -0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1633   -2.4298   -0.5894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7145   -0.1238    0.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9641    1.5503   -0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4703    0.1569   -1.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0650   -0.8179   -1.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0404   -1.3531    0.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8969   -0.0664    1.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0519    0.5532   -0.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  3  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  5 12  1  0
  5 13  1  0
  6 14  1  0
  6 15  1  0
M  END