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    40    85    37
Direct
  0.4252552819605597  0.3925948250547293  0.6694446217783963
  0.0856682992738911  0.2813593901707421  0.6184445104480361
  0.2548192645168541  0.3347432697086603  0.7179345348880588
  0.0795462783625354  0.7182601180602077  0.3365318788308613
  0.4126565871550767  0.6650037986461328  0.3820544783842124
  0.2458686456728145  0.6182578461450419  0.2824925540578747
  0.9192300144189787  0.3821144180301772  0.6638778911643541
  0.5863304677002006  0.2813205224275634  0.6163179532265701
  0.7533868619456356  0.3355935569916610  0.7176789491607991
  0.5790115509955100  0.7171823123466723  0.3343517903071742
  0.9125084008141826  0.6633597942102369  0.3823924603315518
  0.7454291183624306  0.6166944326070407  0.2814082827796085
  0.1090423711930413  0.4545064946181014  0.9120741994508279
  0.2800634011658616  0.4538316605857986  0.5435405734103185
  0.4429551463192638  0.0902491742739500  0.5409904891212989
  0.3885646727727448  0.5422411852251372  0.0862777643091093
  0.2257196200143383  0.9139006932081060  0.4539323223965113
  0.0597978216604957  0.5455129301431114  0.4593442320874743
  0.0066596955980884  0.4446907892003509  0.4486720847285071
  0.1734491122673916  0.0040928707264101  0.5570603761206456
  0.3345470498868721  0.5538475434261798  0.9928765512496724
  0.4973381894604216  0.9980356818764236  0.5532134697945423
  0.3315611242598635  0.4457389566796834  0.4425857855929252
  0.1624475574389024  0.5574744586017957  0.0033063451370339
  0.4308998753366780  0.3839683297403340  0.5069692472946272
  0.1041152033221948  0.1239605417821181  0.6175281805100639
  0.2683440362248248  0.4952048493632049  0.8724033059733358
  0.0631673074614554  0.8768437495780645  0.4943893912732520
  0.3986234334077707  0.5061296637477994  0.3825798198893153
  0.2306771353772064  0.6177350153657173  0.1234211406151786
  0.6066557557113725  0.4548354444528968  0.9099597130131940
  0.7710551974171977  0.4565059133665201  0.5462092662709210
  0.9405570529045022  0.0872174738445466  0.5416354888313606
  0.8915454423318465  0.5416287070047971  0.0877897611884393
  0.7236544009814452  0.9114306061878779  0.4537035023203657
  0.5556337579825410  0.5456324401947157  0.4579398226292710
  0.5007360850441387  0.4427225853583892  0.4460947099716819
  0.6695899872974636  0.0024534743725226  0.5568431020116407
  0.8376545108751472  0.5537609803884180  0.9970483191059003
  0.9942750789056092  0.9967414978173110  0.5541665369007092
  0.8261729484436273  0.4454362612677869  0.4440237833191887
  0.6596865532420608  0.5568917960428834  0.0010375625929981
  0.9380683431610422  0.3846124955584642  0.5084466062725213
  0.6010163091798901  0.1224913723834220  0.6168160042638817
  0.7691221293197046  0.4935966110254810  0.8771786130212504
  0.5648624353866083  0.8777062438029049  0.4936546479094659
  0.8955982606043520  0.5050484423328285  0.3840115198153171
  0.7289877495685104  0.6153081009658266  0.1205808326974633
  0.5941344923786218  0.5265200995982156  0.7607564277628072
  0.7163565571123627  0.5502477697487294  0.7578641629929379
  0.6764642294303798  0.5374328818992069  0.8279072478625338
  0.6364122038539222  0.6121604905602140  0.8232316559854240
  0.0689825559297219  0.3836628353777201  0.5588132638599603
  0.2336403943829168  0.1749238901510566  0.6149308627190848
  0.3993982496287174  0.4431476806723822  0.8224932389048192
  0.4344928510551327  0.8272385997915634  0.4411860994849164
  0.2679825243981284  0.5585587689881493  0.3850763728761208
  0.1004703299418210  0.6156896485457750  0.1740706743976759
  0.4965147300151571  0.4327213162918540  0.8345613986549836
  0.1682044368191100  0.4028172978732272  0.5675430646550979
  0.3311837064017595  0.1649609684105684  0.5930586024125901
  0.0026937462424002  0.5936584792842368  0.1628726607169071
  0.3365474150799272  0.8386134919840771  0.4308304165890604
  0.1701979725456937  0.5689222175842659  0.4071470138908353
  0.0345315355731302  0.4652162151409414  0.9059474894302397
  0.2052382566305369  0.4376704969479590  0.5335926730813654
  0.3687147581499914  0.0962747535104356  0.5583587726077894
  0.4631822456486248  0.5588549404729406  0.0921851009539338
  0.3001445409300487  0.9075351949646446  0.4646459302738748
  0.1341133604984392  0.5347487202684462  0.4419859201180643
  0.4767719467052061  0.5098501214689719  0.9618142259122990
  0.1494197872388341  0.4540676877973482  0.4911176840376541
  0.3143820199362466  0.0374385785371487  0.5443892019954930
  0.0208130703181837  0.5450606973843080  0.0357421157479934
  0.3555437224951845  0.9659804588239780  0.5086224198631371
  0.1897644028503862  0.4903992083276378  0.4557980457238386
  0.0520333293142201  0.4341773006628245  0.4827867439257147
  0.2177192022043712  0.0487357727577660  0.5660830246279218
  0.3803720291811317  0.5191270367604091  0.9488470551748733
  0.4522042187630220  0.9537263204566457  0.5180859143886849
  0.2862883535297200  0.4810683181664857  0.4338281695132977
  0.1175566837865034  0.5666108167314619  0.0477105603273600
  0.0132063258794517  0.4002606195125651  0.5156250489366982
  0.1785452833402061  0.1154263494875707  0.6002039816253983
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  0.4903988525286351  0.8866524694167026  0.4853772390997477
  0.3241826147990494  0.5141787697614717  0.3998273955374714
  0.1561440468362250  0.6006752517660985  0.1146357092510684
  0.0622366489952810  0.3847267527853617  0.7800025053604571
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  0.3958110290771018  0.2230081098457362  0.6040603346518907
  0.4359466288616147  0.6046165930748515  0.2185620091582834
  0.2706804382274299  0.7813331840031026  0.3856951317517670
  0.1043318093709473  0.6145055333900729  0.3956488050642903
  0.5600080023618190  0.3857750042717640  0.5602087514344660
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  0.8437052585023466  0.4853999375787268  0.8857997767618855
  0.9885240462697311  0.8853943220086862  0.4861287765975604
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  0.5606832794639445  0.3852897718203394  0.7776235113118659
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  0.6558875063477672  0.5565334324597373  0.7923168041374922
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  0.1915257710112144  0.2383870773008852  0.6496726778589519
  0.3581350507642327  0.4117645091341515  0.7580599196177218
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