 C  N Ir 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    Ir   Ru   O    H 
    22     6     1     1     1     1
Direct
  0.0850998782307099  0.1726651614153168  0.4735202694087391
  0.1677012563701694  0.0878190386415401  0.4754057479293843
  0.0790272403442207  0.4151300050677752  0.4666615856498273
  0.0853912430412033  0.6698445552488838  0.4652448258392393
  0.1635321644974189  0.5841843987032672  0.4667350064753074
  0.0856785595980599  0.9198562637940472  0.4720013463440739
  0.1693576406772153  0.8369180901144662  0.4698481613414105
  0.3361356421463965  0.1688739422632149  0.4819895922504733
  0.4221232843159174  0.0860778679997150  0.4766734783382612
  0.3362865119559876  0.9187371770440195  0.4726291556198985
  0.4120975168554879  0.8265962466434058  0.4734887272315277
  0.5896549554535669  0.1712384322336729  0.4732542756627037
  0.6654504475157563  0.0793944395398090  0.4716925884316959
  0.5795367070480699  0.9114501524080143  0.4753269865744832
  0.6669814638993650  0.8304334785949611  0.4820020988207220
  0.8321250824405472  0.1623697957047724  0.4696176074177543
  0.9171845686755443  0.0806141369960239  0.4726493531406503
  0.8359819227746368  0.4144197173298160  0.4654732259765073
  0.9152283070831970  0.3294673418779299  0.4650690451077731
  0.9211401221444040  0.5848211225140904  0.4656917802623270
  0.8355875531230482  0.9131409837587204  0.4768831464959874
  0.9179724131631636  0.8279929813407161  0.4737771742566344
  0.3231995201599583  0.6639334527934410  0.4734340721138676
  0.1589101085830571  0.3353563068917798  0.4733010953479628
  0.5919503426012126  0.6777478274164882  0.4936755211127602
  0.4135021528595370  0.3213351200602855  0.4937900694850246
  0.6771328561686606  0.3330639951797651  0.4713390383800726
  0.8435170891425646  0.6660847127438483  0.4721358224661355
  0.3830602748479027  0.4996679839629851  0.4874054428738390
  0.6206606725710111  0.4993520900519636  0.4974751954900041
  0.6961780655243885  0.4897235717739727  0.6133591991718080
  0.6356534599255003  0.5153477495631499  0.6528263617881921
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
