 C  N Ir Fe  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   Fe   O    H 
    21     7     1     1     1     1
Direct
  0.0867438350848803  0.1680549214903251  0.4605343320963639
  0.1661495649121582  0.0802773918623360  0.4657280550580241
  0.0803078925947904  0.4123519599368176  0.4653736442553636
  0.1684749143413625  0.3301458859058370  0.4658137005905645
  0.0772910009421053  0.6533798825018471  0.4756424493987841
  0.0785350308325128  0.9118708991097431  0.4713163572614971
  0.1633708903850166  0.8250262725820037  0.4753078948208947
  0.3324911300243092  0.1655544197602174  0.4665880386372981
  0.4161029324644582  0.0825856286084935  0.4664886592117889
  0.4175843053655356  0.3351816458065541  0.4702991032521114
  0.3358440163997857  0.9149766049318672  0.4729630062350439
  0.5829425212921663  0.1714072490559393  0.4610318201893414
  0.6712145439907234  0.0943350238131698  0.4574551311074298
  0.6618450275621149  0.3355411435028676  0.4639096896063536
  0.5920689649806438  0.9348130988448973  0.4682532731322914
  0.6805493575709638  0.8562994958332415  0.4740916683144830
  0.8362369708214341  0.1715792983517327  0.4528829499748948
  0.9226277032868870  0.0926095717251038  0.4556100785953223
  0.8328264229578624  0.4169293338551133  0.4641528130232672
  0.9164875713066885  0.3338016210577704  0.4575771440533102
  0.8443350447069302  0.9318763123013286  0.4653849218323681
  0.3309746673093952  0.4117421709647193  0.4752175659728211
  0.5803184656153284  0.4159361370533976  0.4715831092515736
  0.1583351699248035  0.5717726728257848  0.4750811436111291
  0.9161568375565564  0.5744665819422230  0.4744003871429014
  0.4314891538493452  0.8484546366476251  0.4782181535440240
  0.6048770822319578  0.7017794354769904  0.4910677857402740
  0.9159839088216868  0.8432996903751703  0.4738616617181820
  0.3837728050684828  0.6312561829767560  0.4860196651863523
  0.7468103738746119  0.6325456462878476  0.5086199388158634
  0.7587759464637056  0.6155168623160788  0.6244723947234381
  0.6887825844209210  0.6375272366375555  0.6580780596261128
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
