HMDB0001190
     RDKit          3D
Indoleacetaldehyde
 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4745    0.2264   -1.4945 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8820    0.7961   -0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1835    0.6789    0.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9934   -0.1941    0.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8782   -1.4995    1.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3525   -1.9509    0.7890 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0789   -0.9818    0.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3678   -0.9711   -0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8356    0.1739   -0.9159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0146    1.2746   -1.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7338    1.2321   -0.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2272    0.1015    0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7848    1.4312   -0.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8878    0.3062    1.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9252    1.7122    1.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6774   -2.0486    1.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7523   -2.9043    0.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9730   -1.8522   -0.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8648    0.2107   -1.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4147    2.1605   -1.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0713    2.0983   -0.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  2  0
 12  4  1  0
 12  7  1  0
  2 13  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
 11 21  1  0
M  END