-687.9443029161   -597.7949565508    -90.0692317451      0.0000000000      0.0000000000     50.27    -6.8973     57.17   f2s-cbh2f2s     cbh22                   
   -637.0712389601   -597.7949565508    -39.1439412874      0.0000000000      0.0000000000     83.05    -8.0947     91.14   f2s-ch2 f2s     ch2                     
   -489.4552216148   -399.3626859307    -90.0692317451      0.0000000000      0.0000000000     14.62    -6.3366     20.96   h2s-cbh2h2s     cbh22                   
   -438.5496916849   -399.3626859307    -39.1439412874      0.0000000000      0.0000000000     27.02    -9.3766     36.40   h2s-ch2 h2s     ch2                     
   -568.0743133910   -477.9549645726    -90.0692317451      0.0000000000      0.0000000000     31.45    -7.5411     38.99   me2s-cbhme2s    cbh22                   
   -517.1660329729   -477.9549645726    -39.1439412874      0.0000000000      0.0000000000     42.12    -9.6171     51.74   me2s-ch2me2s    ch2                     
   -444.1791020059   -354.0847284370    -90.0692317451      0.0000000000      0.0000000000     15.78     3.4667     12.31   nf3-cbh2nf3     cbh22                   
   -393.3134877275   -354.0847284370    -39.1439412874      0.0000000000      0.0000000000     53.22    -0.5059     53.73   nf3-ch2 nf3     ch2                     
   -146.6564038490    -56.5417415723    -90.0692317451      0.0000000000      0.0000000000     28.51    -4.0719     32.58   nh3-cbh2nh3     cbh22                   
    -95.7192484778    -56.5417415723    -39.1439412874      0.0000000000      0.0000000000     21.06    -7.8073     28.87   nh3-ch2 nh3     ch2                     
   -264.5314651339   -174.4048081268    -90.0692317451      0.0000000000      0.0000000000     36.03    -6.0751     42.11   nme3-cbhnme3    cbh22                   
   -213.6033355193   -174.4048081268    -39.1439412874      0.0000000000      0.0000000000     34.25    -8.5567     42.81   nme3-ch2nme3    ch2                     
   -731.0996926082   -640.9614541406    -90.0692317451      0.0000000000      0.0000000000     43.30    -8.9776     52.28   pf3-cbh2pf3     cbh22                   
   -680.2109204408   -640.9614541406    -39.1439412874      0.0000000000      0.0000000000     66.22   -10.1520     76.37   pf3-ch2 pf3     ch2                     
   -433.2383239249   -343.1097422877    -90.0692317451      0.0000000000      0.0000000000     37.24    -7.5574     44.80   ph3-cbh2ph3     cbh22                   
   -382.3340905966   -343.1097422877    -39.1439412874      0.0000000000      0.0000000000     50.46    -9.6538     60.11   ph3-ch2 ph3     ch2                     
   -551.1897584386   -461.0275820330    -90.0692317451      0.0000000000      0.0000000000     58.32    -8.2663     66.59   pme3-cbhpme3    cbh22                   
   -500.2799292854   -461.0275820330    -39.1439412874      0.0000000000      0.0000000000     68.03    -9.9742     78.00   pme3-ch2pme3    ch2