HMDB0246314
     RDKit          3D
4-(Trifluoromethyl)benzaldehyde
 17 17  0  0  0  0  0  0  0  0999 V2000
    3.8372   -0.7503   -0.2535 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0707    0.2065   -0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260    0.1153   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7893    1.2202   -0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5854    1.1239   -0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2313   -0.1139    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7027   -0.1891    0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0533   -1.1637    1.1111 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1937    1.0215    0.7403 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3959   -0.3902   -0.9800 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4220   -1.2225    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9678   -1.1081   -0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5258    1.2274   -0.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2452    2.2143   -0.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2157    1.9868    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8829   -2.1857    0.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6210   -1.9924   -0.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  6 11  1  0
 11 12  2  0
 12  3  1  0
  2 13  1  0
  4 14  1  0
  5 15  1  0
 11 16  1  0
 12 17  1  0
M  END