Mn  H  C  O                             
   1.00000000000000     
    14.0085999999999995    0.0000000000000000    0.0000000000000000
    -2.3342783930000000   15.0719092000000003    0.0000000000000000
    -2.3341731710000002   -7.5329926809999996   13.0543846830000003
   Mn   H    C    O 
    12    13    48    37
Direct
  0.0567894024084978  0.3023833588260061  0.7216487202394148
  0.4117594087836736  0.4163640083786362  0.6925335984447472
  0.2032369727752865  0.2725922640754703  0.5835510585129597
  0.4108606628725724  0.6902411733679585  0.4186440136942622
  0.2026463217973244  0.5815054180529273  0.2761302112304236
  0.0663344161362502  0.7249021947446579  0.3102206728497734
  0.5666514931372788  0.3087870521509686  0.7267152171755882
  0.9086523906385366  0.4164987074326589  0.6900233307610719
  0.7019247954504877  0.2737808554887238  0.5819546600226388
  0.9126590043028671  0.6928496366265620  0.4176343912325322
  0.7043915486132732  0.5838447797749495  0.2752937106779143
  0.5666184590904351  0.7261199375808829  0.3089467713673315
  0.3562484081097139  0.4775684541498251  0.4828278124979803
  0.1177583742626069  0.0036894270581911  0.5196177502593073
  0.1203179078188796  0.5173353690852238  0.9998674774765703
  0.0519831384038554  0.5761310092232677  0.5808998420182405
  0.2642490834731959  0.9992440586852425  0.4224304809388144
  0.2635405437891549  0.4240649925129745  0.0017986293931216
  0.8596055888469749  0.4848427192723435  0.4845797142961388
  0.6191023175703378  0.9995469935004877  0.5147665066704405
  0.6179172303486311  0.5151181666057028  0.0009537025529980
  0.5551602953578012  0.5835719419256904  0.5826984714113621
  0.7640906079549836  0.9992761358409155  0.4138686066939457
  0.7667421974686519  0.4168292362066950  0.9979290725946512
  0.9876220491141652  0.2345739948664729  0.8162981449349402
  0.2472027930629679  0.4651250084990011  0.5642142604845759
  0.0138964835391846  0.0960483091510298  0.5286997562579785
  0.4676579989778133  0.4369222999419620  0.9068631182147300
  0.0173488929202534  0.5295952124965453  0.0938366709535714
  0.4688462418661459  0.9050548395567617  0.4363384516635023
  0.2478397263634164  0.5595902289159085  0.4698229866005832
  0.2897697009716182  0.5002474918263715  0.5051000227216136
  0.0400506532729850  0.0024926787005484  0.4951324904970278
  0.0425606141717410  0.4943308814680663  0.9993983107445743
  0.1588516012018033  0.4934866969307663  0.5931064686704701
  0.4127729897708576  0.0929528771624746  0.5031091207655933
  0.3645261155936410  0.4114656674975379  0.9075441154594017
  0.4124005717072379  0.5030299911780389  0.0954139187902143
  0.3658775201955677  0.9053818556198081  0.4094034402831639
  0.1589929104162877  0.5874560696346762  0.4985328805634950
  0.1034016006788079  0.4596580395716003  0.6510578787423071
  0.3750803649495182  0.1844929658142149  0.5388258558949985
  0.2803523655284366  0.3573727672950824  0.8158377632205998
  0.3753113113786810  0.5377092787433426  0.1874680468997454
  0.2823991700871034  0.8137305152742869  0.3542725384845298
  0.1042041213936642  0.6444408820322280  0.4632772931745848
  0.1190851487630127  0.5545797127338403  0.5597582863875559
  0.3422100879164560  0.9991738663613248  0.4425011320160124
  0.3414668681778110  0.4439968526851530  0.0015810779673799
  0.7494647777897043  0.4707927835199470  0.5644272157534402
  0.5158860774956437  0.0936734604112317  0.5308139884236596
  0.9710135378386440  0.4365773593883020  0.9044432416163986
  0.5153971795858823  0.5305275264097773  0.0956330022682508
  0.9689797569032805  0.9074027756365126  0.4359784193744218
  0.7507644770439370  0.5662819277342237  0.4713358882408869
  0.7930145593602020  0.5072676790612505  0.5067232321270794
  0.5410559370572656  0.9994301906613856  0.4940363070806839
  0.5399891706895872  0.4942970808329790  0.0011589975603883
  0.6612461090977604  0.4998375972679270  0.5932259687494010
  0.9113631294124929  0.0948036737351785  0.4978993769399409
  0.8683706116102528  0.4062684420721325  0.9045742320875334
  0.9142902369070498  0.5004625121610005  0.0928668818514851
  0.8663520210822497  0.9069166256767076  0.4055924602019019
  0.6625553320751933  0.5950764823107448  0.5006348563108318
  0.6055326757669945  0.4632003785096117  0.6485621655554183
  0.8731375635100846  0.1862732875842852  0.5322617778414696
  0.7841936641812239  0.3505776430846552  0.8131528415754161
  0.8757853158008260  0.5368738360498497  0.1845035257109089
  0.7831883962484767  0.8147395615206037  0.3500999940618925
  0.6074326665824472  0.6512970380836478  0.4649280795213429
  0.6222587252865068  0.5620620254114357  0.5614512041723927
  0.8419807067265310  0.0003563264386770  0.4365782178475115
  0.8446650952196251  0.4386008760948101  0.9985158486232422
  0.2882457322374918  0.4040648705370558  0.5900415980563736
  0.0842899241355823  0.1839638887502133  0.5904621464110704
  0.4962154871348972  0.4111899970490427  0.8200815480749100
  0.0883433079240703  0.5915958365098533  0.1809491643888919
  0.4965278256917571  0.8180734800145473  0.4107914796614978
  0.2893225859488595  0.5856793062932795  0.4091023920073980
  0.1278248867657865  0.3899665639554399  0.6707202378831596
  0.4358297998561795  0.2719668669884783  0.6079535874513624
  0.2995210652844378  0.3338889593704053  0.7280312500961088
  0.4366734513525046  0.6060514813324360  0.2748685661663401
  0.2992597382125908  0.7265834842831467  0.3377263737096214
  0.1312374480252529  0.6631268662162100  0.3945295105871196
  0.0307935397451189  0.4968798241444361  0.6785865603865631
  0.2836046954728531  0.1771056179439512  0.5039218745075473
  0.1917102860031648  0.3360773528153871  0.8235355599716669
  0.2839289565442655  0.5029536027941717  0.1807078661525878
  0.1944950780939578  0.8202850658351011  0.3257127856464308
  0.0301894882059486  0.6726584984203043  0.4977009761678701
  0.7889301946223952  0.4075037813577822  0.5877756927135920
  0.5869860539016329  0.1808254566465521  0.5926920485249525
  0.9999900523084477  0.4167669431361034  0.8185556239901075
  0.5871423032071093  0.5918277360125472  0.1824804506567190
  0.9977777601713100  0.8209698834069528  0.4129930388079401
  0.7911582566806530  0.5907655267179877  0.4089920842422288
  0.6323079206307796  0.3941317341318253  0.6667652448862640
  0.9344572192165899  0.2750052018449551  0.5968017788035311
  0.8007732927589757  0.3327609834721486  0.7256642293019198
  0.9364424469106041  0.6062565257621131  0.2720304392917541
  0.8010556577423671  0.7278461481811433  0.3331983931547811
  0.6343355940807029  0.6695169073626275  0.3960309218352123
  0.5307996945793363  0.4969976627446115  0.6756695328188371
  0.7806135412119559  0.1777112253644191  0.4998581057977844
  0.6963840020590837  0.3234686411019254  0.8206499394759703
  0.7841887744949290  0.5028810718862005  0.1773143703214402
  0.6949441092289277  0.8206956558465421  0.3218535459179108
  0.5330032892708019  0.6786809007515942  0.4992858842659871
  0.9916601252392852  0.2074936663885580  0.7454468545478505
 
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