CO2cH25.mol
  -ISIS-            3D

  5  3  0  0  0  0  0  0  0  0  0
   -0.8987   -0.1101   -0.0132 C   0  0  0  0  0
    4.1008    0.0837   -0.0029 H   0  0  0  0  0
   -0.9433    1.0642   -0.1075 O   0  0  0  0  0
   -0.8540   -1.2843    0.0814 O   0  0  0  0  0
    4.8519    0.0361   -0.0053 H   0  0  0  0  0
  1  3  2  0  0  0
  1  4  2  0  0  0
  2  5  1  0  0  0