 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 
    22     6     1     1     1     1
Direct
  0.0843017448303564  0.1727836719082286  0.4717004964005769
  0.1669637801857871  0.0879861343090271  0.4745115859773416
  0.0784702217386917  0.4154578083121079  0.4634672679799986
  0.0848779867037330  0.6702135535485333  0.4633485562538734
  0.1629853066399060  0.5845710719098494  0.4635663745962164
  0.0845686568378435  0.9196543924197615  0.4714142643325187
  0.1687661560563529  0.8372494451114298  0.4687261630485010
  0.3347275223558268  0.1682961354679695  0.4829349076156612
  0.4212881217448678  0.0863630971641255  0.4771419620057287
  0.3356973349637104  0.9191408899021269  0.4715469217808250
  0.4114883944357388  0.8271025845771963  0.4715127139903726
  0.5889192189045440  0.1718553732510767  0.4738060698109948
  0.6648233874902371  0.0802996243628474  0.4706871273861309
  0.5789705784506282  0.9119609742186199  0.4739200387214291
  0.6665520409090527  0.8317578131093019  0.4819078514672082
  0.8314839523651762  0.1626797914256927  0.4680558981082304
  0.9165494874830269  0.0809599385752117  0.4712737414380825
  0.8359735671906348  0.4149776341910634  0.4652437942814188
  0.9146798162181644  0.3297836874939411  0.4629745259955824
  0.9208813480695742  0.5848693015034442  0.4656044764291238
  0.8347499721733130  0.9134647020378965  0.4769721242322678
  0.9170342292164031  0.8281282405628502  0.4745913270811522
  0.3227505469444630  0.6646500330706966  0.4704937122624337
  0.1581322336899697  0.3353820829127639  0.4704539131704161
  0.5919396207721092  0.6789222765517463  0.4958916580007089
  0.4122329039915733  0.3204674017172783  0.4977501913955086
  0.6772344478599480  0.3344283216910143  0.4733124070720577
  0.8424961190158632  0.6652935076821802  0.4748323992716038
  0.3807768025929992  0.4999460067557143  0.4874293240810814
  0.6186815314507722  0.4997931762438183  0.5032322310557551
  0.7029279828043602  0.4826560994033822  0.6165352513051644
  0.6511140096522485  0.5125633682809616  0.6595377202570840
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
