 C  N Fe Pt  O  H                       
   1.00000000000000     
     9.8736660799999996    0.0000000000000000    0.0000000000000000
    -4.9368330399999980    8.5508456537647159    0.0000000000000000
     0.0000000000000006    0.0000000000000011   15.6500000000000004
   C    N    Fe   Pt   O    H 
    22     6     1     1     1     1
Direct
  0.0767178757723279  0.1610715931493671  0.4639062696281989
  0.0828187577624425  0.4169648143501802  0.4609065106730544
  0.1632385733927731  0.3331823707933851  0.4642982108849663
  0.0890296755016015  0.6742822836621900  0.4629183979288485
  0.1646955092937505  0.5854088400884621  0.4626437493685618
  0.0831170270738175  0.9223217942788764  0.4664231397318567
  0.1741760208211641  0.8452127636219436  0.4661625320808425
  0.3279315284433972  0.6700208056097861  0.4652846108361498
  0.4027904395098612  0.5812165980573405  0.4691369691562527
  0.3428561611895508  0.9310606904434694  0.4670580003714490
  0.4163533632913939  0.8377686644151962  0.4654394385601772
  0.5925982334989670  0.1682251655269454  0.4644851477842068
  0.6699527987910875  0.0800855534194773  0.4619732196893798
  0.5816316065126000  0.9129646529220190  0.4647748841215162
  0.6555322131122108  0.8204378982835295  0.4669995318916020
  0.8340975754966914  0.1618233108883755  0.4604396637354212
  0.9107144684066906  0.0734761010180383  0.4620556470160756
  0.8394874185722089  0.4138321120110331  0.4611924693870342
  0.9188323124334299  0.3297027661980880  0.4596208846900491
  0.9242599338681333  0.5849634549366536  0.4615740800649710
  0.8240534755320350  0.9023898039434944  0.4645591295866816
  0.9135201919311280  0.8237459772303545  0.4641509996520542
  0.5620093001585386  0.6579951459500877  0.4716375777302617
  0.3241996280919356  0.4185609285551680  0.4707175432554515
  0.1566602446715464  0.0818565068392504  0.4688676672324031
  0.8428535840675998  0.6632718866115999  0.4623531248183353
  0.6782178751711815  0.3305572488258126  0.4646086195653290
  0.4338064975307274  0.0947784381366459  0.4696509173832215
  0.3734065633194630  0.2531353635781860  0.5123425924567050
  0.6151886130544566  0.4915916517543430  0.4717993881214792
  0.3693098006531677  0.2503817701427900  0.6293198673747397
  0.4521974033993681  0.3389708657122072  0.6599417840744208
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
