 C  N Ir Ru  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   Ru   O    H 
    21     7     1     1     1     1
Direct
  0.0884047049568275  0.1675977760934027  0.4590081456422090
  0.1683579987046138  0.0803724424378091  0.4650923524133987
  0.0823747478789928  0.4120021090599051  0.4616200825490459
  0.1706293300126648  0.3299500318254860  0.4621811960998123
  0.0795165395208403  0.6529481428332713  0.4754469923350047
  0.0822849328941815  0.9131280506013268  0.4735355391597712
  0.1649191484052659  0.8244947277757133  0.4763162287317649
  0.3344986914729493  0.1655744839200601  0.4649904228416339
  0.4175671032419938  0.0824682481535415  0.4660294322082133
  0.4182697364700126  0.3346079987185578  0.4687984074153355
  0.3379422396698037  0.9156095309642006  0.4736319410751919
  0.5843755738374078  0.1704437712763371  0.4597870342859208
  0.6727476344641163  0.0939330017572265  0.4574548781700823
  0.6643016612709259  0.3336679184324398  0.4630409359599186
  0.5933497321832083  0.9354850790729913  0.4715237287232913
  0.6817016114449483  0.8581331882771727  0.4801246912302176
  0.8375029673956823  0.1706502692091525  0.4515218049704631
  0.9240112657397814  0.0920822118431284  0.4563408200317630
  0.8338153781359237  0.4139696560068923  0.4628478563616218
  0.9180555250067790  0.3327509390198828  0.4541904749462052
  0.8452332721306909  0.9332368908756845  0.4713940289841255
  0.3333481939499492  0.4113947268233492  0.4717537348870415
  0.5824803486206049  0.4142325809263109  0.4734734357433907
  0.1591683732179906  0.5711050853518398  0.4717953346427066
  0.9171895814916217  0.5717731196233456  0.4769871686237196
  0.4327340148729531  0.8495819834032893  0.4795532726698187
  0.6027631935633965  0.7022345640008707  0.4949208847764620
  0.9196879481379364  0.8464771843559236  0.4810308499928874
  0.3845731314798688  0.6318324331597113  0.4826490354143956
  0.7513171733775829  0.6315678362876335  0.5071231261077095
  0.7347915306452264  0.6133306196946205  0.6288745583531069
  0.6623933527653821  0.6462583125602794  0.6499862006332401
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
