HMDB0060486
     RDKit          3D
Mandelonitrile
 17 17  0  0  0  0  0  0  0  0999 V2000
    2.1618    1.6039   -2.4053 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0160    0.9751   -1.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8237    0.2066   -0.2109 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5159   -1.0005   -0.2599 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3818    0.0414    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2865    0.8411    0.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6353    0.7102    1.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -0.2298    0.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7233   -1.0327   -0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3780   -0.8905   -0.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2455    0.7842    0.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846   -1.3247    0.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467    1.6007    1.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1635    1.3426    1.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4395   -0.3325    0.6389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3159   -1.7789   -1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1410   -1.5160   -1.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  3 11  1  1
  4 12  1  0
  6 13  1  0
  7 14  1  0
  8 15  1  0
  9 16  1  0
 10 17  1  0
M  END