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    36    84    37
Direct
  0.4252996693555957  0.3945057889547883  0.6694923800970471
  0.0853561918655359  0.2811631211436989  0.6181437904855756
  0.2552287293878237  0.3355222656151753  0.7180699375936683
  0.0802048585831585  0.7184835558332949  0.3361697553158578
  0.4132643373950771  0.6650916845425527  0.3825283878538528
  0.2466245777789808  0.6181834836926896  0.2825392627431427
  0.9190410312154000  0.3822431059749363  0.6639534647674878
  0.5859124143035501  0.2816325819272620  0.6164339377147101
  0.7532494184404612  0.3352294481248492  0.7177188352291211
  0.5795269582454310  0.7176955316471378  0.3348482668944186
  0.9130581706725138  0.6640168511521551  0.3825903162230873
  0.7460941389060736  0.6169245715669476  0.2814649629819570
  0.1086916067205621  0.4540565785733293  0.9119052084771582
  0.2779996206299202  0.4546636947063405  0.5437247840679547
  0.4428993056067156  0.0908147948338822  0.5421435113857527
  0.3898181131574390  0.5414682752945339  0.0867317307445887
  0.2259866300109010  0.9140480694502742  0.4540561791349802
  0.0588235595979114  0.5458689010459921  0.4589217546533035
  0.0051299376993512  0.4437564929151065  0.4475925368004283
  0.1732193247231564  0.0044830995845189  0.5574781302046290
  0.3352228009694826  0.5530181757170993  0.9937020879005516
  0.4970038841380315  0.9982884982728422  0.5543580949919829
  0.3297564773312374  0.4453339782617149  0.4425821118761064
  0.1624933729391245  0.5574440413040378  0.0030355397258077
  0.4322370807357601  0.3831908364077989  0.5053979461294986
  0.1037572797818669  0.1242870194543571  0.6178593398404502
  0.2688801991891410  0.4950871417933627  0.8732750264927986
  0.0637986830557296  0.8773421641599413  0.4946208354328476
  0.3980450271224427  0.5057694291750678  0.3830064958570034
  0.2310966222358886  0.6175384005650031  0.1230406485160742
  0.6072513366770522  0.4543300854114563  0.9101197821031590
  0.7720516537861499  0.4566073880527668  0.5462958610245110
  0.9403780927142691  0.0874406149988047  0.5415436459108918
  0.8919921290501236  0.5414236678164528  0.0878160020228620
  0.7242678805848541  0.9116902468757075  0.4537900970739557
  0.5572515668921980  0.5459657998105030  0.4583465555627910
  0.5026352276293835  0.4420800413801231  0.4448314762026655
  0.6699450443556429  0.0024200418383913  0.5572225444773693
  0.8380131504785737  0.5543104271770005  0.9971154956420207
  0.9945148854147874  0.9971614796074277  0.5546756090884770
  0.8276289809025101  0.4452569924421681  0.4433425712576238
  0.6603837844829314  0.5568370563716982  0.0013771189904048
  0.9368778960018673  0.3833256762482691  0.5071728761697329
  0.6008853088801231  0.1223522599327822  0.6168595640490153
  0.7690798964640493  0.4943772416818959  0.8772027545889145
  0.5647665069755021  0.8780665036378679  0.4947714578224236
  0.8968073264779903  0.5051527129901388  0.3834683345428047
  0.7296355890883959  0.6159246926846578  0.1209649985133794
  0.0676303262990317  0.3833006997839021  0.5582653552372534
  0.2333526225612061  0.1754054966152410  0.6155422741610863
  0.3998678413162864  0.4431292053000746  0.8229907651254393
  0.4347362361240741  0.8274812343888982  0.4417277103073616
  0.2678772941063627  0.5586603211427246  0.3853167389194141
  0.1010938314904237  0.6154242488565913  0.1738743929562077
  0.4969535403533030  0.4323076463127933  0.8348621186174441
  0.1666710975991990  0.4030606048743692  0.5674333779672196
  0.3309553487133172  0.1655045937965909  0.5938867631469122
  0.0033036462488880  0.5934473672596354  0.1627913141302031
  0.3368860087836794  0.8388113680134879  0.4311279876513936
  0.1700068425549333  0.5691982964938802  0.4071601343080431
  0.0342795581261797  0.4649476877489533  0.9057994911241067
  0.2034013990580164  0.4380778211430325  0.5335601344466809
  0.3685894813986508  0.0967919629670817  0.5593149886140907
  0.4642739057820648  0.5583575089637236  0.0926364433059774
  0.3003106157006812  0.9077411651262608  0.4649896852047846
  0.1331734576474517  0.5349459613774599  0.4417313840241803
  0.4775264437856706  0.5093517945505326  0.9622555967472550
  0.1476129957921586  0.4540330724051032  0.4907503123557646
  0.3142624709044171  0.0378360233343287  0.5451113497587556
  0.0210242449126099  0.5448945973954835  0.0356135356593299
  0.3554606816696406  0.9662828350859485  0.5092789655403465
  0.1882897630800215  0.4903618842833453  0.4555225169624180
  0.0504284071448566  0.4335782830180008  0.4819696043418489
  0.2175130369010745  0.0491408045218265  0.5666267347171257
  0.3810091262223452  0.5185810264160295  0.9495230190695523
  0.4520324116373686  0.9540016496089407  0.5190001450599127
  0.2849418481753077  0.4808421586016962  0.4338003542288149
  0.1177807442707177  0.5664700558253202  0.0474717687341268
  0.0118240315028757  0.3994537552665207  0.5147176408824237
  0.1782560801625053  0.1158522451008679  0.6007266990470583
  0.3433072724647133  0.4866307178005655  0.8820657060237949
  0.4903809523358902  0.8869371728438225  0.4862584063195996
  0.3235261830729499  0.5140081360996120  0.4000415207463490
  0.1565821450448723  0.6004618441363121  0.1143607053063320
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  0.3955246896930618  0.2235893930419550  0.6045856761569937
  0.4370597649739381  0.6044461415312199  0.2190637339124066
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  0.1046918805272625  0.6151298397160261  0.3957784347863296
  0.5608462605631672  0.3853703341359562  0.5593821651502040
  0.7310053622425201  0.1733120529441692  0.6151859236296531
  0.8989851815642353  0.4413930026103969  0.8262294089096613
  0.9338858085181982  0.8261946098854480  0.4417151147068381
  0.7669910777459421  0.5579840652275792  0.3849714095384371
  0.5999098289737645  0.6141693685616758  0.1722464115887377
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  0.8288586324363862  0.1622980594537680  0.5932994932725748
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  0.9500044167720390  0.9525829234853518  0.5192578300539239
  0.7829331840173808  0.4805321093005475  0.4340874289573762
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  0.6755093800023175  0.1137163620233466  0.6000218702345137
  0.8436143476677671  0.4859482566679389  0.8857992519451940
  0.9891604328771066  0.8858228629624492  0.4863077390883106
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  0.6549629097175895  0.5991727397523903  0.1125170242799243
  0.5610984662197112  0.3844646256472259  0.7778439343209982
  0.7251074050635467  0.3945976345557511  0.6153213263352626
  0.8939519671380225  0.2194662375206278  0.6044476493679412
  0.9381893636852539  0.6046680607609360  0.2200965731552174
  0.7711264113621255  0.7795661225243009  0.3845289890700982
  0.6041886446017202  0.6149091493251078  0.3950725563404092
  0.0247244563521321  0.3495175856725794  0.5875994592196676
  0.1912465904150409  0.2388888885716796  0.6500972545598813
  0.3585910435928810  0.4126221147423479  0.7585952326399052
  0.4762029890515578  0.7638069403322874  0.4124292938597591
  0.3094123351284921  0.5880909119212347  0.3511328039193344
  0.1427149662075919  0.6499365338898500  0.2374648566417079
  0.0293058879887624  0.3542506729926629  0.7161443851638651
  0.1948970381813169  0.3634059622629380  0.6481638298797492
  0.3660289917313904  0.2880223784367715  0.6387900790079257
  0.4683727281374601  0.6396790148610094  0.2830472852975348
  0.3023444050885900  0.7173145704608288  0.3564843596911231
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  0.8525885999708436  0.5812436982319582  0.2066749111656208
  0.4789179207158156  0.4703559691789039  0.7053032468312210
 
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