Mn Zn  H  C  O                          
   1.00000000000000     
    18.4202000000000012    0.0000000000000000    0.0000000000000000
     9.3351731319999995   16.0238618829999986    0.0000000000000000
     9.3351731319999995    5.2928529849999997   15.1244787320000000
   Mn   Zn   H    C    O 
     2     6    28    49    27
Direct
  0.1110338046019308  0.2892794212962428  0.2889739261395405
  0.8883774105784354  0.7038239614298973  0.7038457449430595
  0.2928499725086695  0.1199429675265122  0.2932464700827069
  0.2927741267713770  0.2933074574677548  0.1199148765479592
  0.2908059626363340  0.2931702134855811  0.2931955592372049
  0.7075043226869795  0.8807441240700982  0.7062954161453874
  0.7061692228113401  0.7071534257245276  0.7071708182160705
  0.7074587620585291  0.7063129631578704  0.8807629165966304
  0.9364128043177189  0.1679620911496684  0.4769995798093873
  0.1653543418696586  0.9320587102235010  0.4611709351174227
  0.4508014419284123  0.4526344165353891  0.9332506759479884
  0.4527609462085209  0.4505916865897177  0.1650661847087562
  0.4549345316105828  0.9325288058456991  0.1641359047137030
  0.4548646663760323  0.1642357982606768  0.9323739515176825
  0.9258836340687324  0.4506138683743757  0.4504651116064693
  0.1606161357928428  0.4489662383305415  0.4492108535036792
  0.1652860610081390  0.4612953220252720  0.9320658417254322
  0.9363701747438355  0.4770665525401299  0.1679985171736220
  0.4508154948861147  0.9332498342962765  0.4526450214456190
  0.4529016713923468  0.1650558351814908  0.4504882528998735
  0.0653578609507548  0.8410875518097640  0.5496467116193102
  0.8360625645407467  0.0770663342564291  0.5629893202193017
  0.5460295757323266  0.5489862278451625  0.8375521711831482
  0.5482174852370605  0.5467705907475846  0.0691713095398470
  0.5483516387785770  0.0691510354620064  0.5466793366244289
  0.5460344223267484  0.8375422481363302  0.5490080119212166
  0.0652701751573659  0.5496698051581390  0.8411185750874282
  0.8359999218304139  0.5629514395605852  0.0771292697533994
  0.8301711083009096  0.5464703480037301  0.5463130430087446
  0.0651418112024587  0.5446167656612957  0.5448472073662174
  0.5485329730676085  0.0683078031220035  0.8365894933773248
  0.5484885934449863  0.8366997224450898  0.0682787167940617
  0.1424335589155987  0.1666793792179320  0.1796200747237791
  0.1330642975724530  0.0828779396270960  0.1667541767680163
  0.2400845997845167  0.0764506656167256  0.1503093124915509
  0.1845408861938651  0.1600860847267356  0.0718067722692624
  0.9641641148168176  0.0963068509028915  0.4935508940355362
  0.0932064011103861  0.9631931727087277  0.4847188541109162
  0.4723520357990836  0.4735393302070818  0.9625680499783300
  0.4734494279288270  0.4723402961290972  0.0932964385089505
  0.4757663594805877  0.9617211887457842  0.0923608690754065
  0.4757509048764206  0.0924628609285847  0.9615736355415407
  0.9559297775993656  0.4714418965772893  0.4713828573090453
  0.0881800333755507  0.4705912618388481  0.4707481246898126
  0.0931368095618268  0.4848202843860179  0.9632001378783102
  0.9641123717990894  0.4936180117410132  0.0963418327216203
  0.4723897328818722  0.9625623638501750  0.4735316916970476
  0.4735624522412607  0.0932867793503931  0.4722661935374646
  0.0375900802936684  0.9126517590414664  0.5335145853937817
  0.9083122418219816  0.0456391143875692  0.5413951875693641
  0.5253324238919603  0.5271240376962325  0.9093219173829539
  0.5265304966982924  0.5258697702433608  0.0399775761342909
  0.5266381666848261  0.0399611047021011  0.5258012617105550
  0.5253657182718712  0.9093113614798867  0.5271203154348783
  0.0375117897164898  0.5335600267171756  0.9126793884667421
  0.9082489701729060  0.5414072595418347  0.0456908308871462
  0.9026465502644996  0.5248141820818901  0.5247453575512750
  0.0350165462892207  0.5238330487362788  0.5239823560485775
  0.5277240323390373  0.0391717737371664  0.9083658513752439
  0.5277069447953764  0.9084717873775219  0.0391081246819098
  0.1188429757759906  0.1082688360495041  0.4077621522883703
  0.0571525512903150  0.0555132918609544  0.4643644336079049
  0.3889883234541642  0.3876124398967775  0.1122365953947480
  0.4459281588901405  0.4455604658541148  0.0550895019103805
  0.3930472176238240  0.1115380962230788  0.1113235060748039
  0.4493814261453863  0.0541774582994847  0.0540309530318552
  0.1086197951147057  0.3862984219458099  0.3863280251528636
  0.0492736960131310  0.4437911853025156  0.4438440569721607
  0.1188452840187608  0.4079298647094802  0.1081908361269939
  0.0570973720213885  0.4644820158823251  0.0555153017091072
  0.3890460073737785  0.1122296219187149  0.3875902174133827
  0.4460025404961954  0.0550839032268797  0.4455221313342363
  0.8856645021048877  0.8974104525313749  0.6138558666723881
  0.9444818537714994  0.9532909890900143  0.5620762308993505
  0.6106558611826998  0.6112322018368701  0.8898772803008370
  0.5530399578223495  0.5537359293349198  0.9474931502716970
  0.6107056097824142  0.8898599076141309  0.6112124697852366
  0.5531055058541057  0.9474774415543550  0.5537037109438643
  0.8855931691377918  0.6138413994358558  0.8974649798198442
  0.9444076083369879  0.5620897007809944  0.9533426080657605
  0.8848048644508353  0.6090303811955664  0.6090517341606159
  0.9416240627885344  0.5515706964593434  0.5516018203224888
  0.6104229140163184  0.8892234277157556  0.8891889921168641
  0.5541511324897641  0.9467147532953604  0.9466508071916024
  0.1752362273917711  0.1215868535478677  0.1419705127064574
  0.2384407938919040  0.2530450099237811  0.2530037608439244
  0.7517639810847783  0.7497486155542319  0.7497679887642974
  0.0908969483240796  0.1885685338805345  0.4039378882575306
  0.1980341683069042  0.0681616067996984  0.3654962328258051
  0.3670112973335833  0.3652918498043576  0.0729783828955846
  0.3666558860470133  0.3645234581267118  0.1959862586026446
  0.3714805368263612  0.0726409657071372  0.1949442392194172
  0.3707152259346529  0.1951232036858457  0.0724434884279219
  0.0727931780393760  0.3622076150547144  0.3621704983729828
  0.1925319805076597  0.3655712534818392  0.3656377253055041
  0.1979234665156611  0.3654241556482702  0.0681511090904010
  0.0910945735112705  0.4043627656947635  0.1883760789700446
  0.3670244281633614  0.0729728298629055  0.3653196978160835
  0.3667348926406646  0.1959839310051237  0.3644727264773024
  0.9240015796363323  0.8135514793144978  0.6333018261141348
  0.8012403300790183  0.9368623538422582  0.6352919773473360
  0.6316767114545172  0.6344734031274655  0.8063299381153186
  0.6342442903882315  0.6322595524157748  0.9288677149762705
  0.6343147203067119  0.9288462654844736  0.6322234418412620
  0.6316893381094673  0.8063145126492088  0.6344853379770683
  0.9239407166916962  0.6332546084100983  0.8136095278420754
  0.8011693735144334  0.6352959457836320  0.9369116285653405
  0.8001639058666328  0.6323498312373701  0.6323477436458589
  0.9246540003367727  0.6309725130000317  0.6310081933473697
  0.6322010562690679  0.9284070712111969  0.8056304098745457
  0.6321807956304255  0.8056693822947949  0.9283962937705326
  0.0716816147707604  0.2554880389723806  0.2547671274017134
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
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