 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
  0.0806548261066485  0.1709523260808750  0.4566753975392264
  0.0870418774931556  0.4272937324138505  0.4586111196133508
  0.1646336076931913  0.3424871844405503  0.4532834195900403
  0.0944293019980850  0.6837883384947442  0.4645766882991195
  0.1707180256815048  0.5951258642010208  0.4596921426199266
  0.0892927268876514  0.9311446684936711  0.4630421896767529
  0.1809351136562532  0.8551854214303621  0.4650611763178354
  0.3346077482407297  0.6779192137062597  0.4607649480322171
  0.4088496814224515  0.5881134775075928  0.4600766028164069
  0.3500469310697795  0.9388044623763521  0.4689585012432398
  0.4233588679219161  0.8457598749345848  0.4678136485685429
  0.6035534270338837  0.1771641769413994  0.4828722369492021
  0.6781656683495998  0.0886295784799763  0.4746814729181928
  0.5886786952384349  0.9203032808390960  0.4695851619519726
  0.6624520984679833  0.8280013947825950  0.4702888641272372
  0.8415374852619932  0.1709822488415178  0.4700514224781406
  0.9169837235568350  0.0820382644875585  0.4646034020027456
  0.8476500473140198  0.4236155841764263  0.4789916671416768
  0.9241724255542831  0.3386508250877572  0.4680002098929106
  0.9303119588452875  0.5931403802341552  0.4717174922733458
  0.8302620004165263  0.9102262693353944  0.4685828744894154
  0.9194073450936406  0.8321102195725795  0.4685728342088929
  0.5682676554420723  0.6619441077357583  0.4762868333429989
  0.3260720019953720  0.4264292317418452  0.4501004321959644
  0.1640209515783346  0.0939045380763960  0.4551031762315320
  0.8434937936413537  0.6675071893944781  0.4754056253739795
  0.6893251460518922  0.3416431057341238  0.4966751380383943
  0.4448050934416782  0.1038794353742765  0.4730821072919217
  0.3921799798065502  0.2693908160028387  0.4539309047928103
  0.6235271353268649  0.5034496137961358  0.5140653410996201
  0.5653861291573440  0.4503612008385882  0.6312461100514776
  0.5206341913072207  0.3386621774451896  0.6430641176167901
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
