 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 
    22     6     1     1     1     1
Direct
  0.0868047301726503  0.1729830519570305  0.4707608063665222
  0.1693768415016615  0.0881272107520671  0.4729029723317023
  0.0806712157702072  0.4152507612649492  0.4639134205548841
  0.0856278010675846  0.6691272503613446  0.4627692958169779
  0.1650073459562237  0.5839466206874417  0.4639407273051244
  0.0870616982067911  0.9200181970515846  0.4691707066751509
  0.1701037452362966  0.8364075524390022  0.4675882487395723
  0.3384121143111290  0.1705610436143135  0.4812825764046496
  0.4230764239634053  0.0861040747567873  0.4748235023982749
  0.3373903243908322  0.9186166873304783  0.4705720131136574
  0.4133923925543664  0.8262083964143376  0.4708736351490949
  0.5911534221704156  0.1717622211446950  0.4702793320311788
  0.6666624923768190  0.0791844666233223  0.4692822269598111
  0.5808537246525588  0.9110852809338303  0.4729949610781376
  0.6674169275524756  0.8286207248323629  0.4812948999781312
  0.8333164098005645  0.1627993012414724  0.4675923784752786
  0.9183741739270471  0.0805654345602077  0.4704625053087944
  0.8337695450332462  0.4135169668092802  0.4621109003865477
  0.9160999904945742  0.3300787716007461  0.4627804028749599
  0.9198140369999798  0.5856643706436406  0.4620232300930944
  0.8365186944721471  0.9130367649700241  0.4746789279133131
  0.9189526618208258  0.8274022119793210  0.4700654802003776
  0.3255028092494360  0.6632135573689939  0.4700023513250626
  0.1619088940348282  0.3359917546793363  0.4699517638621208
  0.5931424051971180  0.6769235470376015  0.4957873507443422
  0.4157589692415272  0.3222535750574198  0.4956137575310476
  0.6758399965340781  0.3328447558680240  0.4675839014856596
  0.8425270695355596  0.6663145108680125  0.4673047878852811
  0.3899665064632685  0.4995946626996918  0.4857800925224114
  0.6231733773344240  0.4995689157306668  0.5199428765780629
  0.6792206800488668  0.4996047684325922  0.6322228640761800
  0.6161416036669672  0.5062807299612808  0.6780241006396455
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
