HMDB0245045
     RDKit          3D
2-Butyne-1,4-diol
 12 11  0  0  0  0  0  0  0  0999 V2000
    2.4863   -1.1151    0.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2008    0.2342    0.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7430    0.3705   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4454    0.4991   -0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8817    0.6589   -0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5229   -0.4645    0.1401 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0642   -1.6486    0.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034    0.6887    1.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7615    0.7109   -0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2703    1.5764    0.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1229    0.7861   -1.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5160   -0.3651    0.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  3  0
  4  5  1  0
  5  6  1  0
  1  7  1  0
  2  8  1  0
  2  9  1  0
  5 10  1  0
  5 11  1  0
  6 12  1  0
M  END