Ni  H  C  O                             
   1.00000000000000     
     6.8695100000000000    0.0000000000000000    0.0000000000000000
     0.0168868180000000   21.6937934279999993    0.0000000000000000
     0.1602263080000000  -10.7192803879999996   18.7060923649999999
   Ni   H    C    O 
     6    19    42    19
Direct
  0.8466435877782814  0.3832368860060242  0.6668860005706208
  0.1892793272932281  0.2849369453003803  0.6166660094265524
  0.5288904911109000  0.3261059787838718  0.7216178750557845
  0.1443776367694269  0.7167896246711294  0.3365233222818844
  0.7968895729950063  0.6702774448289759  0.3926638865822412
  0.4739572626357358  0.6147299211536321  0.2810965993823231
  0.2173288172202490  0.4547016158635628  0.9102604135113097
  0.5573148265892058  0.4564709398993188  0.5443882327711691
  0.9053562282390573  0.0882921390172839  0.5443719330808605
  0.7729182936174794  0.5516724902020869  0.0947517033306227
  0.4490783189317469  0.9091811701491466  0.4555474075046959
  0.1047835930524030  0.5446575651277357  0.4514448323070468
  0.0007015792937821  0.4500647241850686  0.4503870558404870
  0.3439928615391921  0.0010446065762508  0.5477881079628162
  0.6650522171781432  0.5545795517306544  0.0014176739691862
  0.0125232805359019  0.9927759961101756  0.5439136633347559
  0.6675456009613043  0.4551788218576860  0.4476865906977068
  0.3354558896505893  0.5449270794500123  0.0019926334936287
  0.8663076140285355  0.3835777803755818  0.5065274010490484
  0.2089908732426764  0.1231261193164954  0.6150021427540366
  0.5279483906761655  0.4990445922896498  0.8795026109335211
  0.1380289560564378  0.8701503903174341  0.4929590848287120
  0.8006546538478290  0.5119447119492264  0.3816191402363316
  0.4739804024695005  0.6088413559795001  0.1235090447714384
  0.5559585942219769  0.2974238056520662  0.8125048769057557
  0.1342175547926985  0.3791618639584087  0.5544768663218775
  0.4773017596623674  0.1748781687919561  0.6184781199429281
  0.7937501905651061  0.4479720810643926  0.8254713308056694
  0.8649039629128978  0.8197211871624219  0.4491500922326352
  0.5305622339749476  0.5583336293875547  0.3763376693015843
  0.2043209224375744  0.6202351019212244  0.1784771167871995
  0.9922266704635803  0.4355995712958887  0.8359214399653965
  0.3335069709608476  0.4012047995849386  0.5654306506480395
  0.6788103184657572  0.1639753701232891  0.5971239770000238
  0.0006555404680384  0.6029157900420969  0.1692826319751433
  0.6667598170517053  0.8325834546735535  0.4386965373714133
  0.3289523511819965  0.5667665224916192  0.3965717656677441
  0.0662949057520024  0.4668825249213029  0.9053614860863703
  0.4057228113291416  0.4399494010342835  0.5337626753116922
  0.7521350342828654  0.0943419679000286  0.5598395268597400
  0.9270159692495525  0.5648897375266060  0.0995910209510669
  0.6005435802241692  0.9025731061009736  0.4658704048972169
  0.2579143780402333  0.5353912776247185  0.4358384623537006
  0.9544106392438252  0.5098867499153386  0.9663594246200233
  0.2919440357512997  0.4583370842383871  0.4918769120316142
  0.6371238069228014  0.0342952769038405  0.5408108917859664
  0.0403752800856481  0.5440023276978039  0.0380458982352465
  0.7184063363717570  0.9618561958995500  0.5052656062087877
  0.3737142070379136  0.4948578573747753  0.4552933174937124
  0.0942392853455871  0.4378896821716296  0.4835937475760446
  0.4378849350244849  0.0462022092877277  0.5603471521235406
  0.7568673424728658  0.5203438764412098  0.9554621478271628
  0.9154567730038750  0.9482185740057503  0.5130745151172178
  0.5723116695162886  0.4877091592743170  0.4351949653036442
  0.2412593071857216  0.5595910019041668  0.0482335521091031
  0.0180399206740987  0.4001984198266371  0.5141072431562890
  0.3613259311164043  0.1139379051905252  0.5982725221781280
  0.6795869945315189  0.4902954327579039  0.8877154542240575
  0.9865541458519118  0.8797864518924641  0.4856323618939413
  0.6477926934935923  0.5186135413463404  0.3975496368788356
  0.3197332955834753  0.5957697313826458  0.1158640145223799
  0.1294567814254037  0.3898749303158127  0.7776418156613119
  0.4706913606301271  0.3861763532792040  0.6091476318630811
  0.8166545392748219  0.2222358629378789  0.6110679472448410
  0.8553027619839639  0.6265162664284887  0.2283933920370629
  0.5215330197948020  0.7756224946044412  0.4052820365581979
  0.1864550202058410  0.6059286978549423  0.3781760552595088
  0.0474413179430186  0.3388105930568130  0.5773896404580867
  0.3879209230318992  0.2375522666681391  0.6567231046263942
  0.7072943624442800  0.4241478059606365  0.7626984009993691
  0.9467128825516866  0.7556159939305545  0.4273964675772746
  0.6218358264412700  0.5838927377244829  0.3378023389520024
  0.2957862319454421  0.6594174928060710  0.2412076045375784
  0.0787926765019265  0.3671087049562445  0.7117684706124479
  0.4155091384708598  0.3470544008331586  0.6356268067763011
  0.7504399471015759  0.2862632280672273  0.6433795050369326
  0.8940156095220644  0.6783527965102394  0.2907217002962952
  0.5593217364019125  0.7139675304509012  0.3973050561584728
  0.2369778100893285  0.6254584011085740  0.3321973435176204
  0.6425557322508553  0.4115275323072893  0.6198584388331554
  0.9930425191016781  0.2079509786547078  0.5896140463800279
  0.2930723260621804  0.3751545291826659  0.7933973440783717
  0.3544951881803939  0.7872159612280711  0.3870294346590413
  0.0152456601652773  0.6191108254125908  0.4048213270170038
  0.6880007966767749  0.5962038367902451  0.2150529686336853
  0.6528306742165384  0.3004585333257310  0.7807638750120418
 
  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
  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
  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
