 C  N Pt Fe  O  H                       
   1.00000000000000     
     9.8736660799999996    0.0000000000000000    0.0000000000000000
    -4.9368330399999980    8.5508456537647159    0.0000000000000000
     0.0000000000000006    0.0000000000000011   15.6500000000000004
   C    N    Pt   Fe   O    H 
    22     6     1     1     1     1
Direct
  0.0858580562150576  0.1718602185932191  0.4726683977828503
  0.1714834116669420  0.0896290551833554  0.4756367509516805
  0.0787601065065702  0.4141307327660457  0.4654369180560021
  0.0846789605181237  0.6688620128327165  0.4658038105742500
  0.1634221617820251  0.5835947946314567  0.4657055170545705
  0.0875476753864396  0.9200831740314281  0.4724804978784852
  0.1703846639410036  0.8366464872455213  0.4705718500211574
  0.3417928653047044  0.1739977387996973  0.4824642770639786
  0.4236816285403309  0.0867932283987691  0.4780898549342858
  0.3373096952182621  0.9187676453332462  0.4736838414697931
  0.4128264291057714  0.8259471888809936  0.4734627298061460
  0.5912937206682158  0.1712507301427399  0.4749391053551206
  0.6663405115903994  0.0775358361008255  0.4736284713202911
  0.5805522929065151  0.9080738218816026  0.4768588882637934
  0.6665878380529304  0.8236127121674046  0.4841463783894149
  0.8327941796998123  0.1610638961032292  0.4712714971365172
  0.9175452734443231  0.0789887222168731  0.4737099440143763
  0.8355302911074837  0.4138761330226474  0.4665987926457566
  0.9147937486903865  0.3286824766029429  0.4660610826742098
  0.9202795565778454  0.5836523864525575  0.4659422543799933
  0.8356558058356515  0.9107654590649435  0.4781751179000955
  0.9186053398256189  0.8263684135251270  0.4737189876237975
  0.3235312857150915  0.6644477349452090  0.4702289748259139
  0.1580721857343657  0.3332892757638040  0.4694333779298466
  0.5958387124756562  0.6696215780628595  0.4962683033927073
  0.4252754265302616  0.3283840285785187  0.4928987653307429
  0.6764927878097894  0.3338457936891721  0.4730039145068787
  0.8409574429605268  0.6636643548525288  0.4709405275395747
  0.3816015632761464  0.4989714001611819  0.4812671301411202
  0.6263519097604580  0.4985763066922841  0.4988398850456700
  0.6774946135723778  0.4955629295648165  0.6132867522302801
  0.6196988833187879  0.5331118733841406  0.6471544005657486
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
