Mn  H  C  O                             
   1.00000000000000     
    14.0935000000000006    0.0000000000000000    0.0000000000000000
    -2.3460228299999999   15.1978941069999998    0.0000000000000000
    -2.3512617730000001   -7.5950395430000004   13.1585264530000003
   Mn   H    C    O 
    12    16    49    37
Direct
  0.2436844988759859  0.2642712198105812  0.0892972328016342
  0.2575775226445103  0.7360440014607050  0.9103124155113207
  0.1106346035714907  0.3268023985429593  0.2342329143775288
  0.3926699475979518  0.6828116720165127  0.7583554310311769
  0.0509276416362852  0.5917312790786013  0.8284248269694885
  0.4471865288268759  0.4082575453427495  0.1740392443013903
  0.7427522737646299  0.2638183308165978  0.0917997926526652
  0.7561252768144300  0.7356887032080479  0.9092986241838759
  0.6110100721870708  0.3255572162260307  0.2368327495583316
  0.8872204013534741  0.6723815835174918  0.7637253332198810
  0.5507533142804633  0.5901994737457628  0.8265393574916899
  0.9488327266150378  0.4098848489782441  0.1731941648740190
  0.0972435678041634  0.5543239140385197  0.0313515347993985
  0.4034214719259808  0.4459735931325071  0.9634300653102130
  0.1801252538188720  0.0209646903128942  0.0525894751567861
  0.3181976862836251  0.9763130592954781  0.9407656734373688
  0.1726797088920407  0.5296963786012938  0.4798196836516269
  0.3259194992611540  0.4683516090313091  0.5209002713550248
  0.5949896094379739  0.5531811707191565  0.0332886817961366
  0.9022626094237793  0.4457321727179391  0.9676592622646609
  0.6790524352065788  0.0189178241407575  0.0507701225046873
  0.8189128589406565  0.9784937575877990  0.9455177252893279
  0.6671381341492904  0.5331444563662373  0.4825205939797641
  0.8323339065374924  0.4693714580417279  0.5224946748070352
  0.5819019567124784  0.8397552834730675  0.7238029299115496
  0.6327900466151277  0.9194182939834121  0.6781678808697862
  0.7050023629665674  0.8447503041465865  0.7055349269661875
  0.6807121811374941  0.9518507541480687  0.8070447734350097
  0.1961823890188299  0.4686244737264786  0.0526495122743782
  0.3044165137187065  0.5317715300506194  0.9419223379054174
  0.4596455494684193  0.0837732354963023  0.0285168708928225
  0.0383350630661212  0.9137657498958163  0.9679100502242264
  0.0850913887311009  0.5521468151052531  0.5878743359015246
  0.4153497071430223  0.4459782414088451  0.4147075297140006
  0.2849965538285844  0.4371077796524432  0.0338388953801498
  0.2161621614249611  0.5633147405350272  0.9616760695203084
  0.0654045711072513  0.0994493702526142  0.0622341721107631
  0.4332885126451700  0.8980335291899806  0.9318079834999011
  0.0182847666072448  0.4645033456115755  0.4017889099424679
  0.4789586841667415  0.5382048119018563  0.6011212599110323
  0.1647260283536696  0.5305307259099479  0.0162632191958849
  0.3360959789211293  0.4699941330692283  0.9787007721570475
  0.1006638040128038  0.0121159568725275  0.0292357963769021
  0.3975506327973193  0.9850472490395603  0.9647486020067078
  0.0977579181509327  0.5161174881955475  0.4892257520622536
  0.4011315137343345  0.4832329031112721  0.5127679017935733
  0.1348925334017750  0.4399191718855064  0.1098420864344192
  0.3648049224833798  0.5599879495588382  0.8830168059852141
  0.4130784086290689  0.1699667935742397  0.0587406198376996
  0.0850038570143781  0.8279207981213759  0.9403720123372068
  0.3264425239444648  0.3883591320518534  0.3281932833000027
  0.1738545694908353  0.6082803044253495  0.6756159233903531
  0.6940244816247727  0.4676331947973438  0.0549134435820733
  0.8032996792190019  0.5313349035880250  0.9461006173044311
  0.9606645300525471  0.0859280056705671  0.0309563537722042
  0.5376398247455185  0.9119373646871551  0.9641763494807947
  0.5774197330956596  0.5564858452493553  0.5883804716017309
  0.9201241600012651  0.4468974471941252  0.4150274743533231
  0.7829115951612380  0.4361162685795819  0.0366211218042665
  0.7146748577282835  0.5633310555130180  0.9647554416783279
  0.5642100598046795  0.0974776010605609  0.0609969515102478
  0.9336613310428419  0.9002355929625807  0.9362644095449753
  0.5136393616809798  0.4638652753892529  0.4021065746912456
  0.9864036332690134  0.5361294027841623  0.6009274692150086
  0.6626820183239559  0.5296722287083924  0.0186137863441544
  0.8346147463474551  0.4692795700812837  0.9823926749072172
  0.5996738584949455  0.0100539175209633  0.0267119575474837
  0.8983412464648737  0.9875124726773592  0.9692734247680264
  0.5916609221823776  0.5189666168180551  0.4904029355451698
  0.9074185969526241  0.4832364888401059  0.5134860673141333
  0.6332962333604684  0.4391839957323143  0.1125118382584915
  0.8641588307126398  0.5595896263407880  0.8885409807672175
  0.9137792098903361  0.1716837302591756  0.0598076086111163
  0.5837979524316879  0.8258876080484185  0.9381665982200857
  0.8299244172205462  0.3896672111316306  0.3291728762693253
  0.6676717463199822  0.6128205835418896  0.6737874511760893
  0.6501586612775085  0.8888163310787789  0.7287396528973673
  0.1619661828758368  0.3814156943372922  0.1424726398275808
  0.3391995745746783  0.6184577552966033  0.8496855662323028
  0.4692402210304323  0.2608946529554785  0.1197451709830872
  0.0276677543320929  0.7370110107227887  0.8842107086654352
  0.3378262906041485  0.3574982030444573  0.2373601642369252
  0.1595286336720605  0.6518769514710385  0.7649291154257796
  0.0574439381795742  0.4719007339135644  0.1256500874855249
  0.4412845148392606  0.5258030871771240  0.8678137358911187
  0.3199391735314734  0.1543175429387489  0.0257012060740962
  0.1785006478145021  0.8441011401147094  0.9715669946527541
  0.2411116596147380  0.3705166445212242  0.3435035082495475
  0.2613582335000970  0.6125924209739679  0.6607160787382753
  0.3212323980134926  0.3770199724292098  0.0652846656552626
  0.1800928404371689  0.6239550437776771  0.9309408651306228
  0.1315172698659950  0.1909049144762704  0.1219733840056278
  0.3674022979649934  0.8052467455007459  0.8737551306422091
  0.0381080735883543  0.4347807411686659  0.3102421851399058
  0.4559528319266235  0.5667936210831215  0.6914459633833587
  0.6604686542041520  0.3804702553813470  0.1448809642028976
  0.8360420826125079  0.6165983656730063  0.8543137440315007
  0.9703811647236975  0.2628765352583926  0.1173976436888822
  0.5264555951333705  0.7351165080620063  0.8843855002736163
  0.8406929346891800  0.3557803150137531  0.2379476160331109
  0.6570144211278475  0.6437487161077087  0.7646760475756764
  0.5563251553342425  0.4717685527761759  0.1291854377518433
  0.9421230493767752  0.5283196502866261  0.8736973734151618
  0.8202033277526226  0.1553062641439737  0.0287988173564528
  0.6771689897962361  0.8424229602668305  0.9706565583631885
  0.7446454415929935  0.3744394107271916  0.3456770038990911
  0.7529144181415077  0.6287174535035760  0.6576017482586138
  0.8192536428481390  0.3762421096374666  0.0681968458402409
  0.6791598637134726  0.6241591139571057  0.9343485415266173
  0.6302370048169621  0.1887036127462238  0.1227903447829917
  0.8675839137327586  0.8086470876367002  0.8762143725729530
  0.5349851032739679  0.4310640447938709  0.3110485064280795
  0.9648215913459453  0.5674608820863654  0.6919293001781526
  0.4452542868228804  0.7471493742887390  0.7112954504009892
 
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