Mn  H  C  O                             
   1.00000000000000     
    14.0935000000000006    0.0000000000000000    0.0000000000000000
    -2.3460228299999999   15.1978941069999998    0.0000000000000000
    -2.3512617730000001   -7.5950395430000004   13.1585264530000003
   Mn   H    C    O 
    12    13    48    37
Direct
  0.2445063426354110  0.2652975976143495  0.0896012182071644
  0.2552280123003783  0.7356828582255304  0.9061888534852969
  0.1104784082740622  0.3281011826696911  0.2334638313015347
  0.4005735384100291  0.6835634588768613  0.7692540677829669
  0.0515352265242726  0.5919431360223300  0.8257862336494881
  0.4469615118548447  0.4084437261901925  0.1727343869481501
  0.7419927102481338  0.2634096853462538  0.0910018309631440
  0.7590346652393549  0.7372692909032779  0.9107129162831029
  0.6094890620663449  0.3270234437121999  0.2365409235690166
  0.8886583410038256  0.6729645738608880  0.7642177895768398
  0.5547940788145524  0.5934790281436477  0.8307305562704386
  0.9482634888476298  0.4097528097376539  0.1720701788370675
  0.0984213055146554  0.5557795723514971  0.0305619327085296
  0.4029213738962056  0.4445903547980024  0.9607451142158681
  0.1806759179374424  0.0222138109087524  0.0520962588363147
  0.3205920487645102  0.9748089131997091  0.9415583153822951
  0.1694620444504196  0.5308746874918597  0.4788872084201614
  0.3263385624418689  0.4728858398911413  0.5228305786801428
  0.5977260246910703  0.5556163698139684  0.0345487013020644
  0.9028811978858116  0.4441940315845301  0.9665945533817890
  0.6814085138449855  0.0227820212154484  0.0591358008648939
  0.8192648224197185  0.9791512985014919  0.9452403386067800
  0.6675354138168501  0.5345415244501694  0.4825722714987037
  0.8290526348666205  0.4671636957702248  0.5200597517087360
  0.4893946484190934  0.7248591293208619  0.6688355289199919
  0.1965030442030198  0.4691886525537683  0.0513887328049449
  0.3045024492517641  0.5309708482843263  0.9392852645124350
  0.4606986451072359  0.0843988091879737  0.0307982813613279
  0.0389960504408933  0.9148711546424195  0.9673241183550658
  0.0810900279353675  0.5523978286813218  0.5855853257978794
  0.4154028864420809  0.4489490349865761  0.4158345556050094
  0.2850317702119796  0.4370741266311882  0.0321441767443176
  0.2168459590336909  0.5636546781090104  0.9600087095709711
  0.0657210336485932  0.1004786704366722  0.0617303163010945
  0.4370255844820718  0.8990395062156153  0.9380039660281270
  0.0152748247384693  0.4637690755848993  0.3998206044416577
  0.4800984115688465  0.5405490062831717  0.6020582949235802
  0.1655474204150593  0.5313204233254751  0.0151377132319084
  0.3358890379527395  0.4691477044695063  0.9763144867236306
  0.1012051557048892  0.0132891840125069  0.0287539795091405
  0.3999506449996204  0.9850419851827326  0.9676478628119511
  0.0942593688289080  0.5163980542250215  0.4873395226209354
  0.4015422212447461  0.4865691253298579  0.5141890335644277
  0.1351371423259735  0.4407349524502990  0.1088951718961937
  0.3649328127392764  0.5582428805494715  0.8799488332798973
  0.4131256379919535  0.1698251084334359  0.0593181921082078
  0.0856684465583868  0.8290834522980788  0.9398058395194084
  0.3263022741753829  0.3907832945712499  0.3290125239679043
  0.1712968715103500  0.6092572318308385  0.6719460595820834
  0.6951086395550021  0.4682096873737365  0.0548952044577362
  0.8052810591382098  0.5313308308008686  0.9460003021206091
  0.9609401471788885  0.0866643506973404  0.0303468630341186
  0.5412213109521673  0.9137656312839582  0.9726681817842930
  0.5784166517248366  0.5583281968023002  0.5890940773412154
  0.9173108059106241  0.4456242335951686  0.4130485293633228
  0.7835125024799154  0.4358484036353829  0.0360245504459158
  0.7173353673784888  0.5641755691233143  0.9654591678921349
  0.5652393136517020  0.0990521430694429  0.0645702999522655
  0.9343881905850608  0.9011397668202790  0.9355128056298057
  0.5137010197372192  0.4661855139067583  0.4027639431307080
  0.9829667841363943  0.5353337248194094  0.5986901366303030
  0.6648529540547798  0.5310753895929778  0.0192833141998321
  0.8357018723252665  0.4686401369644599  0.9817596253001994
  0.6019618385133612  0.0125051898135808  0.0336762631881911
  0.8987739629557296  0.9882125567298843  0.9685742583353090
  0.5921682681749303  0.5207463679519151  0.4908345948210240
  0.9041427887998594  0.4817921975267296  0.5113938877605690
  0.6335909172353809  0.4397395101949613  0.1119631446015106
  0.8658462076109359  0.5594640377832576  0.8880500443372839
  0.9137324358927614  0.1721489292121632  0.0589610092567128
  0.5890589576718952  0.8287444637518249  0.9490431960299688
  0.8276229202068919  0.3884008490391579  0.3273801223402089
  0.6686269212647389  0.6149577714228869  0.6749646346590055
  0.1628717494508294  0.3830807425703853  0.1424285619437811
  0.3382539444124717  0.6156030590242025  0.8449646728844087
  0.4687702779807097  0.2613116757910348  0.1194723440816290
  0.0283497240418171  0.7380365184058633  0.8852252599563926
  0.3381078194176510  0.3585787630173556  0.2381991639561889
  0.1571411663171247  0.6498535953116189  0.7626788634613391
  0.0572888225769645  0.4720332917528935  0.1240351650186398
  0.4419195018026585  0.5251438499608412  0.8655110464442188
  0.3198763332352641  0.1535470138632320  0.0263357756081390
  0.1794184865218398  0.8456415240610156  0.9696921646641457
  0.2409080768663898  0.3736483278075369  0.3443599871296286
  0.2568431996850720  0.6177341027996661  0.6566479940487611
  0.3211676697340167  0.3770657320138753  0.0639068518046955
  0.1810592622282883  0.6244648707280049  0.9297135240557921
  0.1316674088241783  0.1921097482242899  0.1215903623946630
  0.3723337857267097  0.8059458934285573  0.8788552457834982
  0.0357142176052392  0.4339293025682167  0.3083962337648245
  0.4591900041002290  0.5700074065365897  0.6937228140707816
  0.6601950830435683  0.3809239945174596  0.1443748285026913
  0.8369637213975665  0.6161669795907159  0.8536677750447481
  0.9703769798118884  0.2633823351245326  0.1158343987409367
  0.5321611556931032  0.7380729912133219  0.9052191400416518
  0.8388643920659646  0.3543537775965291  0.2363425730919104
  0.6573729998661975  0.6488349650510301  0.7661480969019578
  0.5564519297005646  0.4722774309510811  0.1280128140500096
  0.9438418386814575  0.5284942785302604  0.8730909225311265
  0.8200787105613330  0.1554492666375538  0.0283344796495015
  0.6835122745547011  0.8470505113001749  0.9733924270129677
  0.7422191122168655  0.3736221044345598  0.3439085688024193
  0.7537110292929086  0.6288449875628075  0.6582940750197110
  0.8190483553457781  0.3753582175932237  0.0670614603505868
  0.6826520312892583  0.6257592054567027  0.9356214804122800
  0.6304963717293788  0.1908122918227875  0.1247715696635368
  0.8685538305951468  0.8094341670795941  0.8751481437630559
  0.5346431676671344  0.4337141062019327  0.3116838359256349
  0.9618953528647438  0.5664738452690443  0.6900727093138741
  0.4585381196246345  0.7615904108176679  0.7231812797572346
 
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