 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 
    20     8     1     1     1     1
Direct
  0.0800038413345410  0.1549042397704282  0.4624606487762923
  0.1650719299054424  0.0703465091857815  0.4601871865315397
  0.0777423789031739  0.4049293908991140  0.4702931225397999
  0.1608585939690365  0.3158022211129824  0.4693748681406249
  0.0935978100774799  0.6555824266142425  0.4657766185906013
  0.0928200756247420  0.9067595538083008  0.4575640093112937
  0.1777233139666785  0.8218183435201629  0.4614407052312009
  0.3260424755172321  0.1509776899433220  0.4689745755854258
  0.4142561757944366  0.0692277496868220  0.4706529549757569
  0.3438923729941147  0.9059113694412027  0.4664207422672343
  0.6666149842606013  0.0850584832687379  0.4741442724756518
  0.5946195028942070  0.9218073746779860  0.4703682225387864
  0.6837733034194593  0.8387572437154892  0.4688799844406381
  0.8316774364296124  0.1677879559354745  0.4709916001435120
  0.9168178982342861  0.0827518552702223  0.4628858546428314
  0.9144633307854678  0.3328768712433179  0.4738109296242105
  0.8484452150572277  0.6734775562316404  0.4676263149496274
  0.9302155229903561  0.5852123997389730  0.4694201935402900
  0.8446479495768290  0.9195680021597091  0.4619649460617565
  0.9292299950762798  0.8345642662724579  0.4593954980874082
  0.4353552870057496  0.8338574945384390  0.4722040759209848
  0.1656215804280624  0.5641502356737224  0.4719392268773501
  0.6070627792774614  0.6783755561998196  0.4783153330507749
  0.3211844982652305  0.3925413086527180  0.4788750497708407
  0.6888764387567581  0.5973715165151192  0.4804656942782408
  0.4022631925786440  0.3106567097668281  0.4816633696391554
  0.8409941622651449  0.4250611021949615  0.4823097649429015
  0.5744842733198119  0.1584462969532165  0.4832441232365348
  0.3855021270283944  0.6140851311502017  0.4805734852872323
  0.6249909261480446  0.3751140612149725  0.5083919125400640
  0.5892234684086346  0.4165521542043859  0.6258054382473872
  0.5358515942681268  0.4777890535748296  0.6293300764760459
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
