 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 
    20     8     1     1     1     1
Direct
  0.0757067330723454  0.1567004046016720  0.4691133903816368
  0.1614495404565966  0.0732350100697586  0.4682586457979200
  0.0729205816845614  0.4067040552559329  0.4693880107914233
  0.1574620790896765  0.3189474008294356  0.4690283531921448
  0.0882638572913412  0.6576663638061051  0.4694380099513588
  0.0877284936218446  0.9092409647790866  0.4690382938157898
  0.1729151211889990  0.8239525726084522  0.4692827424876759
  0.3250861887619433  0.1566182202992423  0.4681929350717951
  0.4133147888726261  0.0746708633435285  0.4707368413244556
  0.3392074574984680  0.9085582833462376  0.4706288206823042
  0.6617080935771794  0.0883018727648585  0.4747712421912608
  0.5899396692477775  0.9235300656775026  0.4743686734936440
  0.6778686121340165  0.8392868683794023  0.4749124493652023
  0.8269162873849421  0.1698428328725965  0.4734365692182517
  0.9124402052934933  0.0844401621352257  0.4716358465324205
  0.9084305056655442  0.3349731588562423  0.4715835537048655
  0.8406046010950682  0.6720285793966718  0.4722009087177722
  0.9220719770101249  0.5835852227083340  0.4705403713654266
  0.8400971269434137  0.9210826399396003  0.4726080174380035
  0.9237582292553016  0.8356364809662916  0.4707797452478317
  0.4302477956981278  0.8376334078660715  0.4734312974178348
  0.1590271474588205  0.5664645350580980  0.4692198912943469
  0.6025454792935636  0.6786382466521418  0.4767918410053351
  0.3177361748645787  0.3942419237576125  0.4697186556986176
  0.6798443396135041  0.5926390442664277  0.4764553291652687
  0.4038083552045628  0.3170850479680909  0.4681743430464403
  0.8328990472852502  0.4243229509348112  0.4717025419260629
  0.5723577439004075  0.1635029361330179  0.4748458089437845
  0.3796115409244648  0.6170221815541087  0.4727025764488296
  0.6191107569212558  0.3768743593815901  0.4912472756024317
  0.6052516875234589  0.3651176307977959  0.6082327367934772
  0.6635942167280123  0.4695778361296380  0.6332850806083832
 
  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
