Mn  H  C  O                             
   1.00000000000000     
    14.0086080150000001    0.0000964280000000    0.0002931490000000
    -2.3343751519999998   15.0718638540000001    0.0001900250000000
    -2.3344048220000002   -7.5333444050000002   13.0541952759999997
   Mn   H    C    O 
    12    12    48    36
Direct
  0.0650925698607168  0.3077050796192040  0.7248859272020951
  0.4113574266599827  0.4171955266910459  0.6922295815518638
  0.2026612042199289  0.2750648152889994  0.5828538764750704
  0.4113595997732560  0.6922292896554794  0.4171952199525180
  0.2026640270993738  0.5828497902516574  0.2750640508506308
  0.0650944504083668  0.7248853049118082  0.3077051542718863
  0.5650923691170675  0.3077053292778515  0.7248861896090375
  0.9113578291988063  0.4171951128559499  0.6922298439549124
  0.7026613054899826  0.2750661113097763  0.5828549048972533
  0.9113590970159180  0.6922284929520046  0.4171947163442056
  0.7026637157961630  0.5828493764291380  0.2750643132697093
  0.5650941391051560  0.7248848910892889  0.3077054166909647
  0.3584878746393443  0.4836775254271188  0.4836784547282349
  0.1163933627094309  0.9999130140790484  0.5161816357473938
  0.1163970482022236  0.5161771008312499  0.9999120984321408
  0.0573138138851661  0.5866682584305210  0.5866690021833065
  0.2637050711738098  0.0000261589638697  0.4135400594226013
  0.2637041916668750  0.4135516089833260  0.0000317223870709
  0.8584872620673565  0.4836788214604795  0.4836794831664477
  0.6163926692428845  0.9999145907126206  0.5161818981460797
  0.6163957210432898  0.5161756406591778  0.9999115948520014
  0.5573142164239897  0.5866678445954250  0.5866692645863552
  0.7637025671149402  0.0000269698606843  0.4135387897985652
  0.7637044836461300  0.4135505316670560  0.0000319848022556
  0.2504804318485654  0.4720480124813236  0.5664506095280473
  0.0142081312848532  0.0943501208185538  0.5279665088732060
  0.4669943359049995  0.4335627168398446  0.9055809617813892
  0.0142123160489405  0.5279663339306069  0.0943509332310626
  0.4669941555633415  0.9055797130022540  0.4335603151847138
  0.2504823267310812  0.5664509422646091  0.4720473994168941
  0.2926738259695796  0.5071126948896776  0.5071149694720347
  0.0388531913622003  0.9999449004526113  0.4928590740116121
  0.0388575204897776  0.4928580349394167  0.9999440545835299
  0.1628764599276593  0.5021504512620893  0.5962011956491864
  0.4115456422351613  0.0940150228369845  0.4979450171511175
  0.3645130860032211  0.4038979473743112  0.9059575211341340
  0.4115520710476801  0.4979503031993957  0.0940191796557528
  0.3645126171209867  0.9059580125819053  0.4038924558232182
  0.1628752913226847  0.5962040292618624  0.5021503678324919
  0.1069560763821258  0.4654014254089205  0.6514526578028281
  0.3740701070129333  0.1860543257063512  0.5346591527997759
  0.2810158848327120  0.3485751820806158  0.8139445716742202
  0.3740730908868102  0.5346546253739817  0.1860512035979340
  0.2810205687670830  0.8139387922413874  0.3485678629879203
  0.1069595201756997  0.6514524493444469  0.4654032457934534
  0.1237538133932858  0.5643375979843626  0.5643378490733468
  0.3413069365843953  0.9999976718946613  0.4358093165738595
  0.3413112399882579  0.4358178282606389  0.0000013121198279
  0.7504808937173948  0.4720494868089915  0.5664493398277486
  0.5142070245001307  0.0943472313908131  0.5279644732343982
  0.9669948490033917  0.4335629664859155  0.9055812241722947
  0.5142103039680563  0.5279630616344875  0.0943481315809009
  0.9669918934432431  0.9055769258804176  0.4335598116448836
  0.7504814930399633  0.5664509113356289  0.4720484278793933
  0.7926758773115949  0.5071136079917551  0.5071152318187444
  0.5388555439729927  0.9999441036988159  0.4928585703391803
  0.5388582250422971  0.4928586674664501  0.9999450830018262
  0.6628734847104454  0.5021504203708389  0.5962022241597751
  0.9115496956236271  0.0940170845567891  0.4979475775479258
  0.8645143129436406  0.4038981970077984  0.9059577835090167
  0.9115527756001995  0.4979509357264220  0.0940202080740491
  0.8645105753750926  0.9059537962044075  0.4038904202247195
  0.6628761056898469  0.5962025690520534  0.5021498642042630
  0.6069563980263837  0.4654012921740289  0.6514521541663427
  0.8740678745578379  0.1860524826659002  0.5346578832082756
  0.7810177447206073  0.3485757123017450  0.8139440679935319
  0.8740736039852024  0.5346548750200526  0.1860514659888466
  0.7810192720180709  0.8139410323687102  0.3485681253904929
  0.6069591279779303  0.6514523161221391  0.4654027421729978
  0.6237534211955165  0.5643374647620547  0.5643373454528984
  0.8413068464003146  0.9999985850344828  0.4358095789686516
  0.8413121649149815  0.4358170315320038  0.0000008084794629
  0.2905630911990897  0.4094218900827329  0.5906259909793690
  0.0856167188527266  0.1811221215139724  0.5905419921200590
  0.4950145131639943  0.4093299836743469  0.8187802371633808
  0.0856235313759441  0.5905402559662036  0.1811228216022016
  0.4950147105096434  0.8187819006206709  0.4093304248118557
  0.2905656693601912  0.5906259192664010  0.4094226012614044
  0.1326681343928229  0.3949110797705941  0.6678041718525876
  0.4350769138858510  0.2728587670385991  0.6050224039601346
  0.2986374383685799  0.3321731857308450  0.7271309439483460
  0.4350875066800697  0.6050228768868635  0.2728661100703107
  0.2986408472604936  0.7271247110953496  0.3321663411786915
  0.1326721834171494  0.6678064000466151  0.3949109154854469
  0.0328892181949314  0.4997976842716767  0.6796922519472517
  0.2828156553429011  0.1799285957380832  0.5002700483536131
  0.1928344368830111  0.3202968183561623  0.8200844540801953
  0.2828222512025533  0.5002678758922912  0.1799315835159234
  0.1928324769454122  0.8200796373824986  0.3202876582830072
  0.0328913529823467  0.6796941432037755  0.4997980389529175
  0.7905648917569721  0.4094205321410911  0.5906270194020280
  0.5856197867953910  0.1811268371836192  0.5905445525003685
  0.9950152177165066  0.4093306162013803  0.8187812655816771
  0.5856242062634536  0.5905399444118444  0.1811246160721680
  0.9950127800682438  0.8187811039423565  0.4093299212356030
  0.7905651666028533  0.5906251225629262  0.4094220976530991
  0.6326690303994624  0.3949120951785829  0.6678059662982747
  0.9350775375438047  0.2728596801658441  0.6050226663389040
  0.7986384738548722  0.3321730524833768  0.7271304402958378
  0.9350863197457002  0.6050230242773438  0.2728648404263581
  0.7986389464840968  0.7271248584984136  0.3321650715507687
  0.6326722839422771  0.6678049398493826  0.3949104118732478
  0.5328905549500007  0.4997958411683285  0.6796909822756021
  0.7828163895604234  0.1799301723464950  0.5002703107202393
  0.6928340446852346  0.3202966851338545  0.8200839504597468
  0.7828225431818083  0.5002667985760212  0.1799318459311152
  0.6928319741880742  0.8200788406790238  0.3202871546746948
  0.5328920575348590  0.6796947757308089  0.4997990673712138
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
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