HMDB0038462
     RDKit          3D
4-Hydroxy-1H-indole-3-acetonitrile
 21 22  0  0  0  0  0  0  0  0999 V2000
    3.4774   -0.7868    1.6490 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9740   -0.1428    0.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3531    0.6651   -0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9274    0.9548    0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3632    2.1343    0.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9637    1.9915    0.6225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2869    0.7304    0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4848    0.0442    0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4977   -1.2736   -0.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -1.9458   -0.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1648   -1.2534   -0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0549   -1.8386   -0.8502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1255    0.0585   -0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5236    0.2513   -1.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8881    1.6526   -0.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    3.0171    0.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5957    2.7430    0.9412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3784    0.5826    0.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4539   -1.8047   -0.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3221   -2.9683   -0.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1086   -2.8112   -1.1662 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
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13  4  1  0
 13  7  1  0
  3 14  1  0
  3 15  1  0
  5 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 12 21  1  0
M  END