-152.84566    -76.41885      0.00000      0.00000      0.00000      4.998    -0.0121   H2O2      H2O                                     
   -229.28208    -76.41885      0.00000      0.00000      0.00000     16.029     0.2287   H2O3      H2O                                     
   -305.71995    -76.41885      0.00000      0.00000      0.00000     27.966     0.5665   H2O4      H2O                                     
   -382.15236    -76.41885      0.00000      0.00000      0.00000     36.480     0.5800   H2O5      H2O                                     
   -458.59001    -76.41885      0.00000      0.00000      0.00000     48.278     2.2783   H2O6      H2O                                     
   -458.58887    -76.41885      0.00000      0.00000      0.00000     47.565     1.7655   H2O6c     H2O                                     
   -458.58706    -76.41885      0.00000      0.00000      0.00000     46.424     1.1236   H2O6b     H2O                                     
   -458.58422    -76.41885      0.00000      0.00000      0.00000     44.644     0.3437   H2O6c2    H2O                                     
   -611.47058    -76.41885      0.00000      0.00000      0.00000     75.184     2.5842   H2O8d2d   H2O                                     
   -611.47057    -76.41885      0.00000      0.00000      0.00000     75.177     2.5765   H2O8s4    H2O                                     
  -1528.69984    -76.41885      0.00000      0.00000      0.00000    202.641     4.0407   H2O20     H2O                                     
  -1528.71865    -76.41885      0.00000      0.00000      0.00000    214.445     6.4446   H2O20fc   H2O                                     
  -1528.71753    -76.41885      0.00000      0.00000      0.00000    213.741     5.7411   H2O20fs   H2O                                     
  -1528.71892    -76.41885      0.00000      0.00000      0.00000    214.613     4.9134   H2O20es   H2O                                     
   -153.16888    -76.69265    -76.41885      0.00000      0.00000     36.014     2.5145   H3OpH2O   H3Op      H2O                           
   -229.62415    -76.69265    -76.41885      0.00000      0.00000     58.868     1.9675   H3OpH2O2  H3Op      H2O                           
   -306.07338    -76.69265    -76.41885      0.00000      0.00000     77.937     1.4373   H3OpH2O3  H3Op      H2O                           
   -535.39740    -76.69265    -76.41885      0.00000      0.00000    120.280     2.4800   H3OpH2O63dH3Op      H2O                           
   -535.39224    -76.69265    -76.41885      0.00000      0.00000    117.042     2.1418   H3OpH2O62dH3Op      H2O                           
   -152.24099    -75.76681    -76.41885      0.00000      0.00000     34.724     8.1243   OHmH2O    OHm       H2O                           
   -228.69754    -75.76681    -76.41885      0.00000      0.00000     58.384     9.9843   OHmH2O2   OHm       H2O                           
   -305.14873    -75.76681    -76.41885      0.00000      0.00000     78.678    11.0778   OHmH2O3   OHm       H2O                           
   -381.59623    -75.76681    -76.41885      0.00000      0.00000     96.657    11.8567   OHmH2O4c4 OHm       H2O                           
   -381.59811    -75.76681    -76.41885      0.00000      0.00000     97.836    13.0364   OHmH2O4cs OHm       H2O                           
   -458.04358    -75.76681    -76.41885      0.00000      0.00000    114.547    13.8469   OHmH2O5   OHm       H2O                           
   -534.48754    -75.76681    -76.41885      0.00000      0.00000    130.307    14.6072   OHmH2O6   OHm       H2O                           
   -611.42963   -611.47057      0.00000      0.00000      0.00000     25.687    -2.8132   H3OpH2O6OHH2O8s4                                  
4.78