HMDB0059877
     RDKit          3D
Propylbenzene
 21 21  0  0  0  0  0  0  0  0999 V2000
    3.2332    0.1234    0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7463    0.1800    0.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9515   -0.2267   -0.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4834   -0.1452   -0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0969   -1.2584    0.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   -1.1697    0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1282    0.0225    0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5173    1.1318   -0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1652    1.0345   -0.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    1.0476    0.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4503    0.0569   -0.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7002   -0.7228    0.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4335   -0.4553    1.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5056    1.2278    0.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1487    0.5249   -1.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2454   -1.2279   -1.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5238   -2.1643    0.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9634   -2.0139    0.8442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1832    0.0722    0.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0328    2.0763   -0.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6288    1.8866   -1.0050 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
  3 15  1  0
  3 16  1  0
  5 17  1  0
  6 18  1  0
  7 19  1  0
  8 20  1  0
  9 21  1  0
M  END