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    12    48    37
Direct
  0.0593211745193187  0.2971418471080511  0.7299907449800997
  0.4128200320874527  0.4170735731647284  0.6912704213283689
  0.2008200913703178  0.2745463833981674  0.5830761223018257
  0.4114925444153315  0.6915399384093632  0.4180871126853987
  0.2031694939351354  0.5816919444333948  0.2762259644987992
  0.0658904015377004  0.7245595735067241  0.3087253898108528
  0.5669514329190335  0.3079283299453053  0.7253555207646869
  0.9125125385495494  0.4186234589830491  0.6934873009977451
  0.7035349139248623  0.2751853366875139  0.5825146251360849
  0.9130280744777224  0.6930701222594280  0.4179109266715955
  0.7045597445693090  0.5836086515568866  0.2747827712378736
  0.5668884329855572  0.7262288002363775  0.3084703031039027
  0.3594443760888666  0.4834807979631535  0.4868249369329547
  0.1187464032073962  0.0033475971019286  0.5228817876716150
  0.1205714620931886  0.5174301323828061  0.0009345518993271
  0.0529711099234831  0.5782523302360332  0.5821201216703855
  0.2632773012119429  0.9996498310924125  0.4181460966987203
  0.2626746168071961  0.4233914768998801  0.0013152668943732
  0.8613676083791404  0.4857826512025980  0.4853120352926581
  0.6174642671319432  0.0000949507946046  0.5144769487868786
  0.6168917739466195  0.5130096370230675  0.9988559642325043
  0.5563760555928638  0.5834777722444855  0.5828830837127867
  0.7656122981648110  0.0017145765241011  0.4193793987953711
  0.7667450908186098  0.4165673060450956  0.9973943863440553
  0.2490793142341232  0.4687043981913348  0.5662158868066527
  0.0151987460136809  0.0969496691251095  0.5364450466301633
  0.4664614325930785  0.4355856706920989  0.9050928317890481
  0.0171623155628353  0.5294624558002567  0.0942334724977130
  0.4676189242985487  0.9055188461685475  0.4344379407928329
  0.2494966441697173  0.5633619311138389  0.4720965522048388
  0.2922535260359709  0.5049526258380439  0.5081725535971771
  0.0411897816142570  0.0032298705603253  0.4994881151687878
  0.0427849981746036  0.4940527772531382  0.0000976926167695
  0.1600880652950423  0.4957776556395643  0.5939904628440900
  0.4115275500028375  0.0936788821229868  0.5002380547666903
  0.3630285736922261  0.4109533765138877  0.9060863677016897
  0.4117183716861561  0.5018673641765119  0.0940289435164630
  0.3647848804938292  0.9058176759645846  0.4064243645975267
  0.1603777062374263  0.5905901584693609  0.5002993368584470
  0.1043344026837048  0.4598363265422876  0.6507070387669813
  0.3736963566053575  0.1853739782332511  0.5372087746987049
  0.2796118885650145  0.3588386457843669  0.8142505570440477
  0.3748164697910781  0.5373562149328137  0.1863979083724061
  0.2813116346953208  0.8139881722539499  0.3518450016247314
  0.1049212573996314  0.6464683478536628  0.4640456174000107
  0.1203370359245071  0.5571878535957069  0.5612145020929731
  0.3411749309587009  0.9996883554092406  0.4389957963674007
  0.3404205245711012  0.4431820505677280  0.0004818304464536
  0.7516053339153856  0.4717333716178160  0.5655670626601506
  0.5146635164713516  0.0943163695650640  0.5285917465712515
  0.9720004379935574  0.4352069447283853  0.9048262546898940
  0.5148084318239299  0.5293807820206027  0.0941032480527184
  0.9697954500907642  0.9081252666982849  0.4379363822061180
  0.7516345505626845  0.5659774621457174  0.4710785034554945
  0.7945859064368648  0.5078522939669270  0.5072663446652896
  0.5396179425714607  0.9999715893755052  0.4925548125124166
  0.5389665087271851  0.4925877930906424  0.9993171119729922
  0.6631964531685171  0.5007565756803416  0.5941712450147847
  0.9129182172532992  0.0958944566515214  0.5051475163427313
  0.8689965200692384  0.4057955134691298  0.9046607930421473
  0.9141375582311184  0.5003047132905039  0.0929480806230671
  0.8671447634828766  0.9080379829002396  0.4085860903843255
  0.6631743360208375  0.5944736422937638  0.5000473142560935
  0.6071304647705986  0.4639585439742362  0.6490861274399577
  0.8755798425092465  0.1878080739795465  0.5390694522097377
  0.7846315851469399  0.3511933900963129  0.8134515917727398
  0.8754336302716013  0.5370089613390405  0.1843012948081082
  0.7836206760497504  0.8159687184121793  0.3522234185413424
  0.6071159804466078  0.6494762659773841  0.4633745784952552
  0.6235933068340458  0.5622531893294251  0.5617208453761293
  0.8432755199560233  0.0019421650634825  0.4418592021048369
  0.8448022369797101  0.4382893491429627  0.9983266401649331
  0.2898838400574704  0.4072253747499914  0.5918409934756497
  0.0863817951024828  0.1849997145321609  0.6004212523480419
  0.4948452153574934  0.4097466967148762  0.8182836847079287
  0.0880859315691893  0.5914831122709430  0.1815864981431830
  0.4956108997382742  0.8186639826447362  0.4096033731075224
  0.2905286343286662  0.5890779673218915  0.4108167585243478
  0.1265716989153987  0.3883240011265698  0.6673780658038524
  0.4351166927884833  0.2723698841723206  0.6065310768964096
  0.2983652800781798  0.3324263563008216  0.7266102715934508
  0.4358811733477381  0.6073744690869773  0.2731733503030540
  0.2983973275930865  0.7273112065819518  0.3365911229597884
  0.1305136715702773  0.6631091605272132  0.3936179394722075
  0.0325550544830691  0.4985568688273929  0.6796069072143496
  0.2820081525251581  0.1786997792053171  0.5037648391474150
  0.1896804315687604  0.3420371382538789  0.8235110471349643
  0.2839023335164015  0.5018904968684197  0.1802574427781636
  0.1932948992013550  0.8202105670639952  0.3230056492429796
  0.0313461064472946  0.6754244557000249  0.4990016885654569
  0.7915618001162272  0.4092768033878755  0.5897619985127278
  0.5861450545504496  0.1812349231216004  0.5904912554046575
  0.0029126674105910  0.4153934967171935  0.8196985350014145
  0.5866393599837920  0.5907761469185928  0.1806764590805656
  0.9985014425318965  0.8214073568563265  0.4123403845307081
  0.7917002195050671  0.5902029309084398  0.4084160325796944
  0.6320953959583733  0.3930258803428757  0.6650876476243610
  0.9368598318131731  0.2752958217990269  0.6057252173897822
  0.8011412854226947  0.3363297198380479  0.7268400794375438
  0.9354770720913947  0.6080286758233839  0.2715976345187059
  0.8008950896828608  0.7288665790751736  0.3352413848887963
  0.6326948793901295  0.6661033802914531  0.3929951602147099
  0.5333675024949116  0.4989144088331088  0.6776818835069705
  0.7841289239729079  0.1804162379514196  0.5032431753413178
  0.6966585631216233  0.3229506032268219  0.8200953365455561
  0.7841512954312293  0.5021100182025222  0.1774920883875382
  0.6955615194284874  0.8221842712936365  0.3235947233500127
  0.5331149211744091  0.6775374036027344  0.4980533481954836
  0.9919050521453414  0.2154835890565181  0.7506351496413899
 
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