HMDB0252021
     RDKit          3D
Phenetole
 19 19  0  0  0  0  0  0  0  0999 V2000
    3.3152    0.0805    0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9545    0.3384   -0.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9971   -0.2865    0.3843 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3296   -0.2076    0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2672   -0.8108    0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6257   -0.7534    0.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0055   -0.0694   -0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1057    0.5439   -1.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7559    0.4621   -1.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3935    0.4764    1.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1314    0.5125   -0.4292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -1.0361    0.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8709   -0.0781   -1.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    1.4416   -0.4987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9568   -1.3554    1.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3338   -1.2475    1.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0687   -0.0388   -0.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4145    1.0770   -2.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0217    0.9511   -1.7136 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
M  END