 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 
    21     7     1     1     1     1
Direct
  0.0890059848692862  0.1703346356965400  0.4721233918844678
  0.1679694628529622  0.0822822802023658  0.4720190602621063
  0.0852679871879417  0.4163286085711401  0.4723120862142778
  0.1733792006685682  0.3349600534392475  0.4726194577515012
  0.0792278320740637  0.6549033316135837  0.4721752724278714
  0.0791757775622452  0.9125052457973621  0.4720812677933806
  0.1639105922049001  0.8253744145057935  0.4723753398667019
  0.3352536113865217  0.1677526338745529  0.4722119129189819
  0.4171763316207800  0.0823438563424509  0.4722459123400216
  0.4212198513381690  0.3399716132540955  0.4726946032794039
  0.3360103700317833  0.9125046241431998  0.4723251975188319
  0.5842200204589392  0.1703734700318517  0.4720976729898381
  0.6713482963007289  0.0920423399515187  0.4715520859822703
  0.6643852860192790  0.3349102485212734  0.4723804228245402
  0.5891665225984345  0.9298030453899654  0.4713665450111943
  0.6759734825879512  0.8490649214426385  0.4709964943610155
  0.8372069584746541  0.1714085026136845  0.4718758565095295
  0.9236467266347250  0.0922418133746172  0.4717959723294485
  0.8343150348020044  0.4166264792175380  0.4721083223030760
  0.9186750350921884  0.3342167292442761  0.4722210487479465
  0.8437273982458272  0.9298980735344129  0.4715090937617651
  0.3365404408127147  0.4187737720232858  0.4732335601917934
  0.5851456397865353  0.4185619047910785  0.4721753374736787
  0.1635282759000389  0.5761857761669685  0.4718573382389855
  0.9157350381577896  0.5759824518648032  0.4715143007752079
  0.4283389063732120  0.8416740224243052  0.4722692759117112
  0.5991281575204571  0.6935489098131875  0.4692402235172757
  0.9159302033043590  0.8419873488075735  0.4711185383932954
  0.3846894660090903  0.6316896277675661  0.4723492124224343
  0.7478228696534106  0.6313382650787742  0.4830316275096913
  0.7567862960561186  0.6340747881469704  0.6016329868668814
  0.6563995803744439  0.6192311266947323  0.6215151776003436
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
