HMDB0003654
     RDKit          3D
4-Coumaryl alcohol
 21 21  0  0  0  0  0  0  0  0999 V2000
    3.9626    1.5499    0.6061 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4963    0.4196   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0148    0.5405   -0.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1794   -0.3480    0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2676   -0.3254    0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9370    0.6366   -0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3137    0.5847   -0.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0242   -0.4223   -0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3897   -0.4905   -0.2753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3632   -1.4088    0.5408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0063   -1.3386    0.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3131    2.1744   -0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9686    0.2533   -1.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7237   -0.4474    0.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6046    1.3526   -0.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6558   -1.1547    0.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3904    1.4429   -1.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8203    1.3567   -1.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0214   -0.0464    0.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8914   -2.2159    1.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4937   -2.1131    1.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  4 16  1  0
  6 17  1  0
  7 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
M  END