 C  N Ir Os  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   Os   O    H 
    21     7     1     1     1     1
Direct
  0.0930211498639575  0.1702962367574901  0.4600729582218357
  0.1728526416991606  0.0825196167912470  0.4653568584836256
  0.0864361320660527  0.4142517922514279  0.4675362917896502
  0.1748806637304819  0.3321155419105334  0.4680408377296056
  0.0830984875295868  0.6556277402579777  0.4799671935638896
  0.0869058913142277  0.9152890905484263  0.4727420139729283
  0.1688721459659923  0.8265871253631489  0.4765073738508045
  0.3396458332432167  0.1683101832946916  0.4664665328965617
  0.4218746506164985  0.0842895750886373  0.4640840529592129
  0.4234267548649039  0.3371060478435849  0.4739952352797497
  0.3422408169678985  0.9174148837072167  0.4702064893170183
  0.5887354179272251  0.1724786639877016  0.4574425893542313
  0.6771461718862866  0.0963838790334492  0.4505362489773438
  0.6689681684652671  0.3351611403818195  0.4657777321129598
  0.5969524482210445  0.9365060517698283  0.4609137997031331
  0.6858277398241581  0.8596534378240661  0.4691558426155945
  0.8423557421990058  0.1737603940942373  0.4475512439733337
  0.9291144070530505  0.0947723829854646  0.4516475844708348
  0.8372839834793777  0.4151088291967847  0.4664678625865831
  0.9225262725329323  0.3354218628187736  0.4563330886631726
  0.8491754985545442  0.9349967495515014  0.4632622130104802
  0.3377061541648266  0.4130509535271208  0.4786698258812627
  0.5890076446298526  0.4166322426937634  0.4804539345121123
  0.1620470810544925  0.5733121499927886  0.4784318457474989
  0.9183074344169043  0.5731033585165577  0.4838904497203519
  0.4372041257476680  0.8509538501378814  0.4725130405342267
  0.6092845046130712  0.7065089572056085  0.4904541413018580
  0.9219823351054630  0.8471632110131123  0.4795271245057394
  0.3888538605842218  0.6338277072119036  0.4837089388893335
  0.7567215348316330  0.6360423918248703  0.5167585626668616
  0.6840429923259189  0.5985922741221391  0.6336359917989214
  0.5838079514812028  0.5956565926376060  0.6409166968887543
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
