HMDB0060671
     RDKit          3D
Atropaldehyde
 18 18  0  0  0  0  0  0  0  0999 V2000
   -2.3894    0.7664   -0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5343   -0.2335   -0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621   -1.5857   -0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3193   -1.7770   -0.5319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1181    0.0105   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7677   -1.0341    0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1423   -0.8556    0.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6214    0.4347    0.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    1.5135    0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4056    1.3075    0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1788    1.8114   -0.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4477    0.5234   -0.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4327   -2.4434   -0.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4202   -2.0466    0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7873   -1.7098    0.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6763    0.6492    0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1535    2.5193    0.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2611    2.1499   -0.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
M  END