 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
  0.0843346962373704  0.1717017667329076  0.4624766177128934
  0.0909222068383884  0.4279007192659743  0.4614223348579866
  0.1708492902320657  0.3435981473349728  0.4617092876482060
  0.0964209755425488  0.6848435387330805  0.4632307146530297
  0.1732898767475315  0.5960614306374680  0.4617112684321170
  0.0909654396278604  0.9330188637368559  0.4642700742005529
  0.1821073986518298  0.8561175692013698  0.4649530451408874
  0.3370311071165754  0.6792307050207685  0.4641588706976391
  0.4125496876621485  0.5891588491568763  0.4681461424947025
  0.3508338802422488  0.9422635853568975  0.4689109681248878
  0.4244964839324234  0.8482229641128173  0.4682243002253555
  0.6018758710208686  0.1803153843304992  0.4759711051760796
  0.6781058309999920  0.0913258255517409  0.4701909717056407
  0.5897208396293128  0.9233045876644150  0.4696392302448135
  0.6634970303110530  0.8308282830802675  0.4734622176738152
  0.8422295652314817  0.1726969553137515  0.4678225623625576
  0.9188302816479816  0.0840029361360996  0.4667731200727921
  0.8474424008560173  0.4246261955974706  0.4707285422602803
  0.9265412499598752  0.3404601504456953  0.4649305439341167
  0.9312479748255421  0.5952276337600675  0.4662177849308771
  0.8320067296170810  0.9127923829145466  0.4704496030863385
  0.9208162584839699  0.8338735367878277  0.4680212957116432
  0.5713578637367377  0.6670552610618854  0.4820170880754615
  0.3324287613996364  0.4253691436803869  0.4639919926375670
  0.1664844162285671  0.0943864191354949  0.4607124169628964
  0.8454251717334084  0.6701428572977479  0.4692445161090444
  0.6878547804896477  0.3433281158491268  0.4843651795661018
  0.4420519790636699  0.1077302984391269  0.4738688964953516
  0.3847967682076216  0.2648439900476273  0.4653358234095734
  0.6274121120908586  0.5057200561424465  0.5108462345613748
  0.5377555040522292  0.4244398733177070  0.6212398812006077
  0.5037732286359909  0.3140201771540316  0.6304206284206878
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
