Ni  H  C  O                             
   1.00000000000000     
     6.7343700000000002    0.0000000000000000    0.0000000000000000
    -2.2462816700000001   14.9376494139999991    0.0000000000000000
    -2.2460209579999999   -7.4671988000000002   12.9373677110000003
   Ni   H    C    O 
     6     6    24    19
Direct
  0.1073015176263965  0.2876727266921790  0.7223370479030535
  0.8297716854814894  0.4146926779061033  0.6969137927751703
  0.4086221379152093  0.2848014015383384  0.5890232209695014
  0.8253036626720700  0.6965479956267657  0.4151462739544272
  0.4120450066003301  0.5856332159932833  0.2832593215143859
  0.1293857209488323  0.7177443669644674  0.3047412803029346
  0.7353323740094169  0.4786169235162845  0.4798093506086332
  0.2552050148566067  0.0005161044985087  0.5201668647230449
  0.2597236716781666  0.5238093068755489  0.0018976039445135
  0.0967506790291282  0.5742561245762587  0.5761272436944509
  0.5192417441015067  0.9999749435664498  0.4248360348702747
  0.5244103022796338  0.4255876908507119  0.9996492554666929
  0.5062293011973722  0.4635053706560512  0.5603829281157218
  0.0403658654149268  0.0954104251978478  0.5341357032098983
  0.9502892978398307  0.4445326561337808  0.9056479078072357
  0.0446138861479994  0.5379249859931576  0.0968937443846585
  0.9454558416411771  0.9045122203309077  0.4398846911618080
  0.5062925547414707  0.5591361080135542  0.4648194388791325
  0.5968341119829574  0.5013329928124222  0.5025628199832184
  0.0939792231350935  0.0001951971058887  0.4969287527117103
  0.0981141202449294  0.5013408518904683  0.0015111265627397
  0.3210066947529242  0.4919976218690962  0.5886421542710707
  0.8257795497165645  0.0949212094629601  0.5064268208462011
  0.7369389062559932  0.4158799758308973  0.9059246256125846
  0.8301824474226152  0.5085582331350267  0.0954313139720284
  0.7319808962346528  0.9055134639638780  0.4122098188077103
  0.3205941534993570  0.5869257561073127  0.4936993477096081
  0.2004180106511484  0.4546018813063526  0.6433889942637023
  0.7428102342361242  0.1868240961787677  0.5441709749050503
  0.5618354779469996  0.3609578156996349  0.8140952808386928
  0.7447346173846228  0.5455391369907971  0.1865093467157450
  0.5568541236204183  0.8140478018411983  0.3594494725573938
  0.1985923701423289  0.6403954986284717  0.4558353856624038
  0.2379873218457291  0.5536641453021787  0.5554708005933691
  0.6813815357887307  0.0001833500669619  0.4450998169514762
  0.6862964803402178  0.4472827843372684  0.0002187461980867
  0.5890235420686025  0.3982629461005942  0.5816159954704077
  0.1889062996519755  0.1820203457242400  0.5983496931464813
  0.0156479686142745  0.4254236171153991  0.8205123512856787
  0.1927757805531698  0.6022065628616673  0.1835280601927352
  0.0071617697867907  0.8183560499875000  0.4193735635562774
  0.5896897171600557  0.5804882789475698  0.3996438932166981
  0.2461974992033475  0.3829276900553609  0.6605555466073554
  0.8704502505805323  0.2747343859898734  0.6137624111316384
  0.5986463112588893  0.3438031657073068  0.7262296480922856
  0.8664450899441007  0.6188850129811598  0.2740943968829868
  0.5923339158691903  0.7270901130281686  0.3464066338772724
  0.2476454809052271  0.6542059487608256  0.3822918317297876
  0.0468679468525508  0.4917897818206640  0.6701084945300622
  0.5535544494491091  0.1800347534547484  0.5106193274836883
  0.3823325732157343  0.3336575809686551  0.8230422322267685
  0.5560200778936490  0.5093130514843267  0.1787001847396112
  0.3755305351900589  0.8213898906092538  0.3308555569894338
  0.0459266242997884  0.6692342695767408  0.4917221294244456
  0.9774890828925891  0.2112436156563433  0.7608479730873441
 
  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
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  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
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  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
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  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
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  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
