H2O+2.mol
  -ISIS-            3D

  3  2  0  0  0  0  0  0  0  0  0
    0.1845    0.3107    0.0000 O   0  0  0  0  0
    1.2658   -0.3325    0.0000 H   0  0  0  0  0
   -0.8958    0.9535    0.0000 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
<CHARGE>
 2