 C  N Ni Ru  O  H                       
   1.00000000000000     
     9.8736660799999996    0.0000000000000000    0.0000000000000000
    -4.9368330399999980    8.5508456537647159    0.0000000000000000
     0.0000000000000006    0.0000000000000011   15.6500000000000004
   C    N    Ni   Ru   O    H 
    22     6     1     1     1     1
Direct
  0.0864404760371043  0.1732414217870949  0.4723922880373281
  0.1695002817952351  0.0888023560309234  0.4742954587696677
  0.0824518131318248  0.4151950877225262  0.4672615067097300
  0.0872197580142857  0.6693681770825467  0.4665749205448605
  0.1669579392013794  0.5842080630828584  0.4672069868294491
  0.0869595895104692  0.9203312035664689  0.4715629155648692
  0.1707127888588610  0.8372291133326967  0.4702973576019508
  0.3376884135796188  0.1743648677481241  0.4815318305476832
  0.4229836574919547  0.0890843715945096  0.4772631021008937
  0.3372972302512179  0.9197872979708859  0.4730660287570314
  0.4128339043514880  0.8261362228646081  0.4724135402255997
  0.5908726765349689  0.1716851587156361  0.4737588755963655
  0.6663298643214364  0.0790382180489259  0.4718084605940585
  0.5803496078567181  0.9106044097988470  0.4743528057591442
  0.6629531941705605  0.8250005868708239  0.4813992896537533
  0.8331911809682792  0.1621541323825760  0.4704895300155942
  0.9172130086044686  0.0795942117757264  0.4730149305454600
  0.8374448325741832  0.4145355064881175  0.4669793092883333
  0.9175377329508450  0.3300153971355851  0.4667734964752401
  0.9225826584152400  0.5848188172119786  0.4667935769452439
  0.8335522446614297  0.9102677753822366  0.4769974564380341
  0.9188422360920653  0.8276744095253519  0.4733661725748752
  0.3269383610294280  0.6633122763972736  0.4703863302984566
  0.1633513711496315  0.3360840028126555  0.4704338325495019
  0.5826578062682751  0.6699131643130242  0.4937822634999630
  0.4125246131929542  0.3294916189552469  0.4939182987469001
  0.6778427518899088  0.3330424355003243  0.4724143328456124
  0.8444668843793245  0.6663422443839123  0.4719728101639210
  0.3756980260929767  0.4996383214925622  0.4807598046794734
  0.6192279634905452  0.4997640016484237  0.4992889519490377
  0.6969539537159523  0.5010212754935931  0.6159292421734419
  0.6214622031552470  0.5019119925557934  0.6558912903235731
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
