H2O2pr.mol
  -ISIS-            3D

  4  3  0  0  0  0  0  0  0  0  0
   -0.6730   -0.0120   -0.0022 O   0  0  0  0  0
    0.6731    0.0121   -0.0021 O   0  0  0  0  0
   -0.9254    0.9679    0.0029 H   0  0  0  0  0
    0.9255   -0.9678   -0.0056 H   0  0  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  2  4  1  0  0  0
<CHARGE>
 1 
<MULTIPLICITY>
 2