 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 
    20     8     1     1     1     1
Direct
  0.0766318162218794  0.1589826929465723  0.4675365383791762
  0.1608670020215801  0.0737684023394889  0.4662719025598558
  0.0778826742099677  0.4103670482927549  0.4697128743721685
  0.1599682688541780  0.3225525676437791  0.4685709232998178
  0.0915131880128916  0.6589677251114848  0.4697021766152996
  0.0873441855355302  0.9098151899846149  0.4666456316441154
  0.1724265048597249  0.8243731330153893  0.4676369069903575
  0.3232261219232760  0.1555066823111683  0.4681023151826574
  0.4106547980147645  0.0708336398227472  0.4696851704806951
  0.3378904152364837  0.9051614163257651  0.4683744936696018
  0.6605052328254236  0.0842338185767586  0.4728791368683080
  0.5865115235056455  0.9188281354399076  0.4708406887862002
  0.6747021077919481  0.8373955133274074  0.4718442007381596
  0.8272708393023556  0.1697030649728016  0.4723388159242506
  0.9125056138466187  0.0848302521041034  0.4693082040030366
  0.9125092830929439  0.3362785118874470  0.4722651322814378
  0.8416858836669872  0.6742864248214319  0.4721964416324210
  0.9257895354976152  0.5864339622194934  0.4718318401169788
  0.8382170341581975  0.9206594299360903  0.4694196335111026
  0.9235079246848344  0.8366231563979342  0.4685498226951930
  0.4263233284741387  0.8298897396414915  0.4697495572875840
  0.1668799278022749  0.5706419889035129  0.4712764050425324
  0.5960940253074722  0.6776034886651314  0.4774699373661809
  0.3198735148101056  0.4013491137244062  0.4704995185023478
  0.6791551629738674  0.5971126136234980  0.4784515397942347
  0.4006310785043737  0.3180473876011795  0.4718877804821678
  0.8389117857801310  0.4264728382183656  0.4756426010145849
  0.5701889397577099  0.1570903906705202  0.4748220236764338
  0.3792562901728794  0.6177567081644879  0.4731683338870542
  0.6190548441592845  0.3765862900117494  0.4921545589742940
  0.6014118546362850  0.3627508983235402  0.6162515144482095
  0.6645337289198993  0.4672198981105568  0.6406641784955392
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
