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    16    49    37
Direct
  0.0595292233167655  0.2995516135903316  0.7293980588173383
  0.4130501962496496  0.4172895636601552  0.6914518256888158
  0.2014074657163576  0.2746142863060683  0.5829499533474802
  0.4128848970890857  0.6922606521175396  0.4190476713092295
  0.2036892201767913  0.5830332650593917  0.2770418730545146
  0.0670168915284961  0.7261583352078915  0.3102549654899818
  0.5685798077761390  0.3097023860966388  0.7271485238847504
  0.9127190040872577  0.4188822540957275  0.6919564040828092
  0.7039755349139014  0.2745946232325736  0.5830042842311016
  0.9133253782842132  0.6924303197723489  0.4173556938165603
  0.7056347304248405  0.5843099226704425  0.2736904088523886
  0.5681108454467960  0.7271096500384076  0.3092345316767364
  0.3609186869029628  0.4842033039801947  0.4876623866087044
  0.1198734103221284  0.0049295863435219  0.5280378848904022
  0.1232339039783668  0.5192736973738334  0.0004519257208315
  0.0535076752659620  0.5777878666769354  0.5813547793887253
  0.2646576513823362  0.0003407013233243  0.4212076885605356
  0.2617169627558908  0.4297379721244496  0.0024456352019868
  0.8602673285124851  0.4823897774058281  0.4817047371935601
  0.6190356693140018  0.0009578749027028  0.5159464303294854
  0.6164369999394523  0.5116244611155309  0.9983756824286587
  0.5574788056065358  0.5835565980899702  0.5821737802525107
  0.7672564872790062  0.0021390539410504  0.4202352890104848
  0.7696937313691024  0.4173024936017029  0.9969422297394317
  0.8490984978342482  0.1027169393707652  0.7150280304107639
  0.7610150246708685  0.9913006638482571  0.6099115769091483
  0.7180972895517357  0.0851960099874631  0.7084534756397503
  0.7844558771336878  0.0051469701755451  0.7348014930509663
  0.2500576897430236  0.4690341678799612  0.5663835581354562
  0.0163415950612560  0.0980155449334319  0.5386883086451846
  0.4655812779430732  0.4369390974786427  0.9053413838910558
  0.0198393045985767  0.5313941030230893  0.0939542681715864
  0.4692398879173609  0.9063214444471370  0.4359789631839490
  0.2507273778541474  0.5637423877486469  0.4723719623278839
  0.2935362779186690  0.5054754183162515  0.5086477445434952
  0.0424688733510195  0.0044448469162219  0.5032963718763526
  0.0454933871589631  0.4957575773142366  0.9996875918693604
  0.1610618968280804  0.4961870034754128  0.5940560273499358
  0.4129512361788983  0.0943824289065205  0.5027668735092092
  0.3620536339516391  0.4145300974891484  0.9067042719758973
  0.4113748823321828  0.5051508928619413  0.0945625232435887
  0.3663404699649888  0.9066398031058895  0.4086694381814766
  0.1612644872266316  0.5904735418013658  0.5000230072718068
  0.1051576001603607  0.4605242885023486  0.6506972179491655
  0.3751196863898443  0.1859831330209190  0.5391243699120380
  0.2787329673113277  0.3615697030504847  0.8147946590025725
  0.3753458713684665  0.5393954822049452  0.1873537643904655
  0.2828903181163085  0.8149248657297221  0.3538440793443982
  0.1055334973620887  0.6460527368944682  0.4637176603025850
  0.1211240250875818  0.5571332259551909  0.5608705787018309
  0.3426100110468653  0.0004448598202842  0.4417045895685519
  0.3395773391578345  0.4479275998094536  0.0012565656934385
  0.7512707715587581  0.4698161422654721  0.5632361467467106
  0.5160843996594622  0.0949973921248741  0.5307418488263025
  0.9746096416152170  0.4368254069813347  0.9044458810979563
  0.5145856987179016  0.5308129242165123  0.0942740798205577
  0.9713903485672830  0.9091358877829663  0.4411539364016690
  0.7517832310104922  0.5643464555490354  0.4689867431795847
  0.7940416462121576  0.5053408661532757  0.5044014558038654
  0.5412245146492367  0.0007537928441508  0.4940794772558235
  0.5384292861559032  0.4930123327230405  0.9993179229174487
  0.6632761859101777  0.4994550392518562  0.5924135948816556
  0.9142229703525544  0.0966404908779097  0.5063124849588405
  0.8717926682368571  0.4067575750107366  0.9042569810935106
  0.9168181045368087  0.5019068117411649  0.0925390609155770
  0.8688412999008719  0.9087836690208206  0.4107178184470257
  0.6639683071559617  0.5937955615733514  0.4988257444033408
  0.6077438266380639  0.4635794541402163  0.6483649045562672
  0.8765536911425542  0.1882317782179186  0.5388234753990488
  0.7872846741818975  0.3517235718461080  0.8131985903105416
  0.8776160783525597  0.5385609161511127  0.1835831356839535
  0.7854675598335987  0.8166410969136990  0.3532381776698230
  0.6088643238092217  0.6501608972197985  0.4632943677707857
  0.6241977712062337  0.5614835055115250  0.5603674166333548
  0.8448572773169545  0.0025434775348501  0.4432870774338937
  0.8476779349346302  0.4393655511121466  0.9979162920327340
  0.7782044141480213  0.0462834084115045  0.6921827510521013
  0.2905260830376122  0.4072408474532025  0.5917896830318483
  0.0874274761996574  0.1863571794925463  0.6021397428936623
  0.4938855709103436  0.4098599607037059  0.8183136624481264
  0.0904666496865687  0.5940306297017557  0.1813509713667258
  0.4972180951179439  0.8193855393916110  0.4105773258956660
  0.2918059891808653  0.5896273008028601  0.4112709660149818
  0.1272662696123064  0.3887976518988765  0.6670061703854699
  0.4365659039839613  0.2732016882991246  0.6077884032492236
  0.2976969407759498  0.3325008427083702  0.7269307928462965
  0.4372886111915761  0.6075128079718510  0.2743664777804398
  0.3000508571486833  0.7279205325677012  0.3371715913298630
  0.1318956882808990  0.6641542884413809  0.3943640299491733
  0.0335166429029456  0.4993833091997573  0.6797953878327903
  0.2833913668340102  0.1790380696046441  0.5054647533794707
  0.1888054235468104  0.3463912200695560  0.8245219589786501
  0.2844103246372782  0.5040852543218861  0.1812730723910931
  0.1948041288863607  0.8216156357938758  0.3259881992908404
  0.0310683892727539  0.6735230980582187  0.4976843720718520
  0.7912262960977117  0.4073452174764896  0.5874879053679862
  0.5875106090280582  0.1819816436851553  0.5929163821157530
  0.0050098016606199  0.4178029552479074  0.8191716621311258
  0.5868045040624779  0.5914040601661696  0.1807348611493822
  0.0003247227575045  0.8225612020305988  0.4158682846732162
  0.7919749606738549  0.5885736160332300  0.4063300203259388
  0.6342319016796338  0.3945499636735903  0.6668444922484653
  0.9380386644651466  0.2762817640925945  0.6038011085032124
  0.8036305581737295  0.3350360343983283  0.7260214972271015
  0.9376488602034456  0.6085176154621905  0.2714162234183064
  0.8029651991272360  0.7290454338553403  0.3340154429180799
  0.6352404095472153  0.6679069744242483  0.3938339703193989
  0.5332602641052944  0.4977797086709685  0.6757696033980594
  0.7848102240701280  0.1801547590025692  0.5034965463666765
  0.6992659470923641  0.3248137095231769  0.8205536451847948
  0.7859170553716055  0.5044387737126499  0.1760204926765638
  0.6973252962857543  0.8231337789756097  0.3254117806056840
  0.5349721544576553  0.6783033697112799  0.4981563350137179
  0.9920573481196513  0.2185109950464579  0.7510878724535743
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
