1deH1propanonep.mol
  -ISIS-            3D

  9  8  0  0  0  0  0  0  0  0  0
    0.0614    0.0026   -0.0005 O   0  0  0  0  0
    1.1990   -0.0067    0.0001 C   0  0  0  0  0
    2.6212    0.0245    0.0003 C   0  0  0  0  0
    3.1828    1.4924    0.0001 C   0  0  0  0  0
    2.8698    2.0358   -0.9036 H   0  0  0  0  0
    2.8693    2.0354    0.9040 H   0  0  0  0  0
    4.2805    1.3996   -0.0005 H   0  0  0  0  0
    2.9468   -0.5517   -0.8966 H   0  0  0  0  0
    2.9469   -0.5516    0.8972 H   0  0  0  0  0
  1  2  3  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4  7  1  0  0  0
<CHARGE>
 1