 C  N Ni Co  O  H                       
   1.00000000000000     
     9.8736660799999996    0.0000000000000000    0.0000000000000000
    -4.9368330399999980    8.5508456537647159    0.0000000000000000
     0.0000000000000006    0.0000000000000011   15.6500000000000004
   C    N    Ni   Co   O    H 
    22     6     1     1     1     1
Direct
  0.0882078179271165  0.1713078969752480  0.4750130215764186
  0.1726010455735436  0.0884946451100235  0.4743174448088260
  0.0832912540292636  0.4130854319171761  0.4745657588568754
  0.0881482415014248  0.6675138498763884  0.4738929312627582
  0.1676236493731443  0.5818691395310631  0.4745584054820843
  0.0887581926225083  0.9185866230354279  0.4742931805304332
  0.1722966704991410  0.8354325559851046  0.4741714809088161
  0.3438598830882947  0.1783934281412924  0.4742031288637326
  0.4254015655957084  0.0883814042024896  0.4754747942518349
  0.3393556691310350  0.9187193896553134  0.4749883494728072
  0.4143138771390000  0.8238208824479877  0.4752004323461927
  0.5929445696246234  0.1711009147691062  0.4762643843037697
  0.6677071681549135  0.0764315474749065  0.4757213276082122
  0.5814160920077378  0.9066501146684881  0.4755251739884996
  0.6628005590787476  0.8166436765746271  0.4772518087473520
  0.8344489891240994  0.1595754510779717  0.4755658992625572
  0.9183301463948607  0.0762847395061581  0.4758257563875863
  0.8379546782267785  0.4124752700869105  0.4744178663192165
  0.9182135182115077  0.3273175491918888  0.4743835937666250
  0.9228757838372309  0.5823563143025027  0.4735114446359625
  0.8347149400669274  0.9067424025195409  0.4764774462674475
  0.9192139417821595  0.8238169343839897  0.4748445688316865
  0.3280509466550355  0.6606914454112768  0.4749252413173600
  0.1649779556855288  0.3342481078407967  0.4752557262728441
  0.5848220171645782  0.6605989926052841  0.4794194162063917
  0.4226860565162679  0.3348121859266930  0.4726879529580678
  0.6788141241977351  0.3337802484916433  0.4764100469520996
  0.8422171558837486  0.6609626147194989  0.4731622725160442
  0.3795323213274025  0.4973980587895503  0.4754900888353334
  0.6233382973867136  0.4975717281078808  0.4900553199929957
  0.6474528536611764  0.4982717461502997  0.6113081090856678
  0.6166690422699200  0.5703228501953302  0.6351946241885477
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
