CO3.mol
  -ISIS-            3D

  4  4  0  0  0  0  0  0  0  0  0
    0.2612    0.0000   -0.0014 C   0  0  0  0  0
    1.4505   -0.0025   -0.0026 O   0  0  0  0  0
   -0.8245    0.8107   -0.0023 O   0  0  0  0  0
   -0.8262   -0.8082    0.0060 O   0  0  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  3  4  1  0  0  0