 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 
    21     7     1     1     1     1
Direct
  0.0878238220024955  0.1696930331992589  0.4649877256051005
  0.1667380904983573  0.0813584638305052  0.4676309095392266
  0.0845006093830839  0.4152745724527493  0.4665199539294135
  0.1721431630057332  0.3338367427767212  0.4670103266145794
  0.0803476091615394  0.6538945781255787  0.4746547935760885
  0.0799365786602765  0.9134958602889256  0.4731226471042762
  0.1631575778934140  0.8246384883871791  0.4743877554892568
  0.3332425456109279  0.1659046403832409  0.4668709180708479
  0.4155840292783517  0.0808931632016904  0.4666205687626447
  0.4170628695422711  0.3361874961748998  0.4696281601045835
  0.3350873178605061  0.9121365776469241  0.4708360757614009
  0.5826836979161416  0.1685320317928724  0.4626908940260215
  0.6701959995214961  0.0915284115707333  0.4608600740613651
  0.6632282323433908  0.3317697898244419  0.4655046222947012
  0.5877632168509415  0.9301345090768790  0.4672793813428349
  0.6747315938337424  0.8520757181443964  0.4738331385488482
  0.8358845379924635  0.1707935230847407  0.4592196881126998
  0.9225291462389787  0.0924400980201872  0.4626783737144851
  0.8332040064624645  0.4136897607709789  0.4666024993204379
  0.9180127117155259  0.3331818007507099  0.4618236263880200
  0.8419388299876135  0.9317169890871960  0.4706676891681906
  0.3351389762660364  0.4169938333243715  0.4715645350426040
  0.5806196200747362  0.4124535517638550  0.4726826956915377
  0.1634099484051432  0.5749763622795311  0.4716434897345002
  0.9171003290471934  0.5729829761318170  0.4763220940554858
  0.4271670536733043  0.8415649079686965  0.4721274070128327
  0.5943406050942939  0.6965829618751588  0.4854537332393049
  0.9169539613608044  0.8459342018182380  0.4786480307284705
  0.3828468841484544  0.6319875193891066  0.4772244627918693
  0.7457874461072279  0.6287434330798195  0.5009559759935895
  0.7502793431369322  0.6116407625834177  0.6232913859034119
  0.7008662838862800  0.6658581555365344  0.6496809642508400
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
