Mn  H  C  O                             
   1.00000000000000     
    13.9695000000000000    0.0000000000000000    0.0000000000000000
    -0.0000384010000000   22.0021999999999984    0.0000000000000000
     0.0000768020000000  -11.0014325609999997   19.0542721310000012
   Mn   H    C    O 
    12    37    84    37
Direct
  0.4312411586243741  0.3861203981958212  0.6700607565705994
  0.0875116065412982  0.2831662315506875  0.6182949376918430
  0.2541549704763568  0.3378518002335085  0.7176086237245514
  0.0775598058061604  0.7189045892159669  0.3372235872261982
  0.4103866405756591  0.6656682577217765  0.3826307271080935
  0.2442293622179506  0.6195077088134440  0.2827297712010406
  0.9214763365559335  0.3820323970317077  0.6638747422642268
  0.5913406493093802  0.2806915443797848  0.6194930941914976
  0.7573376031615666  0.3356422161329675  0.7192733422602160
  0.5775505051146226  0.7181295942185955  0.3358727090702089
  0.9101124655825004  0.6624390598776699  0.3821562928217617
  0.7435349901451360  0.6169645109403987  0.2818575258648934
  0.1090960585518417  0.4560208203429568  0.9130193943066658
  0.2762393646977443  0.4535646664598545  0.5418113024219835
  0.4437590622572500  0.0914337581336895  0.5376285134152923
  0.3888760653115426  0.5435481199806631  0.0869563522872312
  0.2249286152141750  0.9154289332210297  0.4539354712966457
  0.0577032678990648  0.5443937654951014  0.4570759743601371
  0.0035515084676661  0.4429408279223992  0.4454549584285061
  0.1751979290195536  0.0062522581216484  0.5568950588637946
  0.3379687952264092  0.5555252766787078  0.9927841835125122
  0.4989639014798257  0.9990771865708226  0.5487336345422094
  0.3289089270777339  0.4441105291359904  0.4400598428715696
  0.1618025792677784  0.5588938340321334  0.0043097946452875
  0.4308898343298608  0.3852298627560842  0.5110874838486339
  0.1069621197395847  0.1264056924647008  0.6187651734446646
  0.2737393654365761  0.4944887857912903  0.8713757148974111
  0.0633548534496597  0.8748888989630146  0.4944056605905942
  0.3968187935554113  0.5054659243033512  0.3811596659304612
  0.2291709943643170  0.6193011033532230  0.1246843743841950
  0.6089972571382702  0.4523676925797346  0.9138795688589809
  0.7712298605308874  0.4581469903442894  0.5475979312284736
  0.9435678966375960  0.0865590959876386  0.5415467948110191
  0.8904051026438395  0.5424091101282329  0.0878579873579355
  0.7246558661857136  0.9121268655411612  0.4544660609686346
  0.5534869333358117  0.5460986635401639  0.4590440369416982
  0.4986923304995443  0.4445278019701391  0.4499804527327314
  0.6724390458432694  0.0025243075169996  0.5578764660711357
  0.8370503403122953  0.5546243767071104  0.9969680221525721
  0.9963725027319583  0.9954575470826228  0.5540174889612004
  0.8241972120843712  0.4458955577060735  0.4448923549385171
  0.6615663518653818  0.5564969944452969  0.0028340101174535
  0.9348556400481840  0.3834539447978429  0.5059941378875408
  0.6047658960385718  0.1229578596214651  0.6189551570858711
  0.7693769763472460  0.4946247182344194  0.8765787475463895
  0.5648932349422964  0.8783479845467497  0.4906631927854903
  0.8929446221500967  0.5045916278091838  0.3838141887404731
  0.7294952731136988  0.6163500101274266  0.1230527192999062
  0.5265217792736223  0.4813297254897506  0.6834194405575857
  0.0658342787642354  0.3834228422659436  0.5568425771949492
  0.2360019748668734  0.1770194802649243  0.6146952200259861
  0.4040555195645510  0.4394132655919165  0.8241107239385244
  0.4331313177895382  0.8280946123245059  0.4408192526197112
  0.2663117477199108  0.5580870850728274  0.3837312677037019
  0.0985726239199565  0.6171108543202237  0.1748369067627635
  0.5004318088975523  0.4280178885174024  0.8369823780386554
  0.1643703794544109  0.4032111917175030  0.5659738627567279
  0.3329905140798246  0.1666912015604822  0.5913214591739262
  0.0009270407370323  0.5948137611028983  0.1633533928035007
  0.3350870929376981  0.8397483259449032  0.4310093790798106
  0.1684820985476705  0.5682377726228935  0.4055263799570028
  0.0346954645970854  0.4666681383424560  0.9065888154234827
  0.2015044183292716  0.4372952448382392  0.5315060019282143
  0.3699181119825994  0.0977130189348756  0.5558050146019511
  0.4635015095152610  0.5601511234116998  0.0933984771375549
  0.2995418062992528  0.9089150526723984  0.4640523625992685
  0.1319644024491637  0.5336228976993880  0.4397234353742974
  0.4792430346428773  0.5092242546953827  0.9632858119066157
  0.1460918347976019  0.4527527564156415  0.4882679294195498
  0.3155331147017577  0.0390587948236245  0.5423565869612474
  0.0199111057168011  0.5462819219100581  0.0362811024870027
  0.3559796875182428  0.9673471970712981  0.5065273516429727
  0.1871952450336423  0.4888902965031079  0.4530920908783571
  0.0487755299126320  0.4328021565811540  0.4798692879547986
  0.2193921417459705  0.0507454137818755  0.5654091599999944
  0.3836534605763262  0.5192543359510253  0.9494852322679890
  0.4529043355049964  0.9547961144687847  0.5149643047259786
  0.2839024503311833  0.4797015378838836  0.4315137279173769
  0.1165831335116536  0.5679993765398521  0.0485423947785009
  0.0098919732143941  0.3992461399302627  0.5131589353178185
  0.1808760804481508  0.1175839952192277  0.6003687740655579
  0.3472322508318015  0.4856160106933913  0.8817497663773679
  0.4902277802569444  0.8874830583695683  0.4831116054558464
  0.3222784734920978  0.5133376499387765  0.3981306631838208
  0.1546966064898498  0.6021724956299721  0.1156176412750938
  0.0632660350569978  0.3863611302741461  0.7807078589896932
  0.2302221299254157  0.3917180551377939  0.6119420316785451
  0.3981654588732724  0.2242566698242072  0.6019888831827060
  0.4344712721819661  0.6065947984022060  0.2194877857966517
  0.2684498611794979  0.7825203141223582  0.3868885649012270
  0.1025708346113134  0.6140493303372381  0.3945991716874602
  0.5621039889101311  0.3855716227169665  0.5616163097927966
  0.7353576930748034  0.1730746571661044  0.6165572696364876
  0.9002722743972740  0.4428688144118951  0.8264031232335327
  0.9324347826322494  0.8249438237239701  0.4424713755548524
  0.7630560745282366  0.5571957730805082  0.3849346723702496
  0.5984602392664513  0.6156219125268478  0.1735379854589283
  0.9980544947050589  0.4325175333616187  0.8378079146895345
  0.6600380628299476  0.4071687589672166  0.5718208454823923
  0.8328587695705991  0.1619154268553729  0.5942058516934665
  0.5002183596874232  0.5946979761748779  0.1622528522078852
  0.8348358184801654  0.8364415933264553  0.4316806196242950
  0.6651040184680284  0.5681908111000382  0.4066704803377519
  0.5354456646826620  0.4634936270530616  0.9060419564341515
  0.6966244809922060  0.4415561692655103  0.5373424883201068
  0.8694227159552170  0.0931142310409996  0.5591669903079577
  0.9645537957932220  0.5600341233585908  0.0944706776319961
  0.7987772664029578  0.9053868983684978  0.4654142619057140
  0.6278203655201935  0.5347812769880349  0.4419155946818165
  0.9791449591678330  0.5106241777994569  0.9648366452208919
  0.6411947187834173  0.4558259887440173  0.4932180004247044
  0.8139696814018009  0.0349164577828773  0.5452525254479355
  0.5191895381029852  0.5454105315734026  0.0350483080859050
  0.8544806804978080  0.9634759199602527  0.5095209060337140
  0.6825178973745594  0.4907581572131079  0.4567358931460390
  0.5441325370932830  0.4350862852765758  0.4847637283909876
  0.7173383622692455  0.0469172552724260  0.5670418647176589
  0.8822954861105075  0.5197300310935304  0.9526435790988828
  0.9510824771240038  0.9511984638061790  0.5190332085112814
  0.7793718484365542  0.4808415703508473  0.4352498979222190
  0.6162681639092682  0.5661587061061226  0.0472035874063508
  0.5057271642087002  0.4013652224932045  0.5181168785733021
  0.6791294017246514  0.1138880210065594  0.6014950306789046
  0.8439951808588475  0.4868689855625661  0.8856181901876923
  0.9888991438453232  0.8840798897623756  0.4864405177104771
  0.8183212664019450  0.5130477168866321  0.4006476840214717
  0.6546808599229479  0.6000248922709019  0.1141749201986357
  0.5658903026935747  0.3794803224227152  0.7810857270053546
  0.7266643614232748  0.3952519365285951  0.6169262157684443
  0.8976027736047030  0.2193105262521087  0.6051388329465865
  0.9354748795712169  0.6054358939527873  0.2202960034968129
  0.7690404303315788  0.7795148684521820  0.3859617386294829
  0.6003023195599582  0.6141729278376502  0.3949345295513567
  0.0234037279669224  0.3496502792836651  0.5865613718099780
  0.1942832087760777  0.2403585968448496  0.6503087556853160
  0.3639713185812212  0.4080693955622081  0.7595551223630181
  0.4736774863508018  0.7642220130007047  0.4127667509904072
  0.3075325322373104  0.5879869829530620  0.3498632723500492
  0.1397699780407464  0.6518367939961038  0.2385737943043367
  0.0306910446884316  0.3546464718277420  0.7170386728009319
  0.1943315283767717  0.3637938454506511  0.6469152909780078
  0.3678393830276505  0.2888564105103768  0.6358059713175805
  0.4651514267001602  0.6415942390352427  0.2836198603045972
  0.2989491456071178  0.7183427533335518  0.3580052784541579
  0.1334920381748432  0.6444707791486195  0.3609416278258593
  0.3174256996660532  0.4089282276454540  0.6170642425574968
  0.4834463374179734  0.2092637369538366  0.5784403583734061
  0.1497071145760458  0.3782459927648105  0.7940933086277866
  0.1824976951675978  0.7959322431749598  0.3777499319058109
  0.0166936444032046  0.6228367445043759  0.4173337058130215
  0.3487953454602462  0.5834331179619383  0.2060624500902364
  0.5211938964843199  0.3494082981924294  0.5895769685016248
  0.6944642996161861  0.2367217839692088  0.6517651219956733
  0.8592159574527116  0.4136662217734681  0.7625785913049938
  0.9733395949018799  0.7611889402376733  0.4135235366551058
  0.8050929234443700  0.5859318824141369  0.3503335081028709
  0.6399883122854320  0.6495516662748386  0.2371678103960662
  0.5318062860880488  0.3412754556744702  0.7186246688333284
  0.6958126050651643  0.3610153089958743  0.6468176750739616
  0.8654169323499659  0.2831624848630909  0.6384893590454652
  0.9666203313570563  0.6393785499300648  0.2842879519489543
  0.7991717703223458  0.7152750630212097  0.3570448639143535
  0.6315191720324123  0.6425139936462614  0.3593587806935901
  0.8123718107009665  0.4176738095222774  0.6253678922016448
  0.9835128801647528  0.2061690067986106  0.5825061132585745
  0.6536148999709113  0.3758154429470437  0.7953770102476554
  0.6838592371182344  0.7933800684409107  0.3756889767703910
  0.5150228595296085  0.6252144620203666  0.4189039573447673
  0.8498612319790411  0.5820264205168755  0.2066386988141176
  0.4841056119791247  0.4727236228244962  0.7136079461087448
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
