Mn  H  C  O                             
   1.00000000000000     
    13.9694682490000002   -0.0000126770000000    0.0000180470000000
    -0.0000196940000000   22.0022167149999994   -0.0001063360000000
     0.0000343690000000  -11.0012004500000007   19.0544310330000002
   Mn   H    C    O 
    12    36    84    36
Direct
  0.4194679854218037  0.3824606803158517  0.6642136454917562
  0.0861324356241155  0.2817559440999275  0.6175402658829938
  0.2527993095159857  0.3357866044343893  0.7182440199989770
  0.0805329583350485  0.7182448139004691  0.3357867212524610
  0.4138647107499338  0.6642142033979397  0.3824618614034634
  0.2472007106212857  0.6175406713514491  0.2817565739053336
  0.9194662584726743  0.3824604177498045  0.6642152711767864
  0.5861357196074266  0.2817569747199329  0.6175408419458677
  0.7528004459583428  0.3357864636432382  0.7182440712450386
  0.5805326630858119  0.7182434313809907  0.3357851980560156
  0.9138651313488424  0.6642137298803874  0.3824603382114091
  0.7471996995251828  0.6175392888318996  0.2817550507095632
  0.1075221730142317  0.4528910307489582  0.9117882443238017
  0.2741908400342723  0.4588948926590746  0.5471049663288667
  0.4408580935538140  0.0882135868416469  0.5410999366109479
  0.3924764727554049  0.5410995340163183  0.0882125765091644
  0.2258133477429709  0.9117887112261869  0.4528869356301257
  0.0591429099649687  0.5471055420494224  0.4588957337282480
  0.0047928398071804  0.4425315340352114  0.4449273219365182
  0.1714625671484171  0.0023940370484539  0.5574638855283069
  0.3381271613630403  0.5550713400343170  0.9976080046139444
  0.4952071507896676  0.9976082223965079  0.5550717901965783
  0.3285381713336193  0.4449257827016524  0.4425307356538823
  0.1618730832223960  0.5574644291404880  0.0023934777761170
  0.4354432165337627  0.3820561693590250  0.5044255979743042
  0.1021127752651836  0.1223668690222723  0.6179408426723469
  0.2687761287324335  0.4955752147364691  0.8776351189873495
  0.0645565196626521  0.8776353752007253  0.4955761808279533
  0.3978896479219927  0.5044259631039480  0.3820568793325236
  0.2312234013873038  0.6179411753479158  0.1223668936881950
  0.6075218777644338  0.4528910820495042  0.9117877707599789
  0.7741898289348512  0.4588957311868000  0.5471060672070536
  0.9408563666087275  0.0882134460502044  0.5410999878597167
  0.8924776091981244  0.5411005646361033  0.0882131525740775
  0.7258123366447435  0.9117885704348154  0.4528869868782195
  0.5591426147142471  0.5471058557590496  0.4588957849782034
  0.5047932604032397  0.4425299594239647  0.4449263235506322
  0.6714615560501969  0.0023938962570824  0.5574639367764007
  0.8381275819582541  0.5550719161531035  0.9976085806769959
  0.9952054238461443  0.9976082736969047  0.5550713166341055
  0.8285378760816187  0.4449251874094244  0.4425307868987645
  0.6618713562770324  0.5574650052590542  0.0023940538412006
  0.9354436371280599  0.3820570078868997  0.5044266988511268
  0.6021110483185410  0.1223665361389834  0.6179414187323573
  0.7687765493282939  0.4955762453561832  0.8776356950529376
  0.5645569402581501  0.8776352344095031  0.4955762320746899
  0.8978900685168512  0.5044253678117911  0.3820569305767236
  0.7312216744425797  0.6179422059674096  0.1223674697558153
  0.0649250476990915  0.3846084528617908  0.5581216100131314
  0.2315902229956777  0.1735137625875325  0.6153877935763532
  0.3982556957525958  0.4418782095496496  0.8264875384086068
  0.4350781992297996  0.8264879039897650  0.4418772735317873
  0.2684087687658021  0.5581209303497587  0.3846084142676389
  0.1017451867611001  0.6153882367483803  0.1735141603547348
  0.4959673180529265  0.4305333694108100  0.8372906439895047
  0.1626360000382974  0.4067570731941856  0.5694665088155020
  0.3293019271302171  0.1627109214717493  0.5932395115624161
  0.0040335172414885  0.5932398024476910  0.1627113926721435
  0.3373672933463823  0.8372900760813380  0.4305315089913933
  0.1706977812418842  0.5694655365711725  0.4067566993042959
  0.0333626165719139  0.4644161801923303  0.9058543260709584
  0.2000298247886434  0.4414361329065457  0.5355816352081177
  0.3666970399804939  0.0941465980484040  0.5585589711368826
  0.4666367859061182  0.5585588177201259  0.0941466565130966
  0.2999736141567553  0.9058547112849311  0.4644127602664767
  0.1333032398102674  0.5355821694346119  0.4414366680051813
  0.4790380537603554  0.5092677845082392  0.9644578458665194
  0.1457064837601578  0.4551841648159822  0.4907281543439623
  0.3123749521210542  0.0355438852134711  0.5448096626021055
  0.0209606767173725  0.5448117716033423  0.0355448847385773
  0.3542963413371396  0.9644577730187436  0.5092666448969183
  0.1876251818215380  0.4907281293333270  0.4551843495601418
  0.0490249170039405  0.4334370642467533  0.4805089792161326
  0.2156947853182700  0.0470707710980705  0.5665580406981121
  0.3823586828305352  0.5194890190706616  0.9529310168595657
  0.4509757136380159  0.9529312637306830  0.5194882584002158
  0.2843067821574223  0.4805087208426286  0.4334375531962849
  0.1176408085654757  0.5665584360506699  0.0470703177093483
  0.0098815662982759  0.3993374264594607  0.5131920375201275
  0.1765494258096751  0.1138533899419585  0.6006576056091575
  0.3432141471447920  0.4868073894680620  0.8861485048764735
  0.4901203538125216  0.8861488448787043  0.4868062115450726
  0.3234515660446391  0.5131908326543595  0.3993374937384289
  0.1567860620956409  0.6006579164552335  0.1138533624165916
  0.0608448901739322  0.3842162044059734  0.7799282871374587
  0.2275123557075389  0.3957153236510820  0.6157847459495542
  0.3941798977099040  0.2200723396022894  0.6042844453296112
  0.4391530320102177  0.6042841812471380  0.2200719782451444
  0.2724886936952018  0.7799282834877630  0.3842160389975078
  0.1058206726677966  0.6157839095577131  0.3957149681978720
  0.5649247524492864  0.3846085041623368  0.5581211364493086
  0.7315892118965337  0.1735138842052493  0.6153883696382252
  0.8982561163478096  0.4418787856684361  0.8264881144716583
  0.9350771881331355  0.8264879552902400  0.4418767999686395
  0.7684091893622167  0.5581205271494554  0.3846079407005973
  0.6017441756631570  0.6153873790470001  0.1735136867865137
  0.9959677386484245  0.4305332286195878  0.8372906952362413
  0.6626349889407166  0.4067573869037417  0.5694665600661324
  0.8293009160319968  0.1627107806803778  0.5932395628105098
  0.5040325061435453  0.5932389447463038  0.1627109191039224
  0.8373662822481549  0.8372899352899665  0.4305315602394941
  0.6706982018373822  0.5694653957799503  0.4067567505510326
  0.5333616054736936  0.4644160394009589  0.9058543773190522
  0.7000295295376375  0.4414371635261887  0.5355822112743809
  0.8666953130369706  0.0941466493488008  0.5585584975744169
  0.9666379223488377  0.5585598483399181  0.0941472325780097
  0.7999718872119459  0.9058538535834728  0.4644122866989377
  0.6333029445579896  0.5355822910523997  0.4414372440663712
  0.9790391902017959  0.5092679061261762  0.9644584219263592
  0.6457069043563024  0.4551844785256876  0.4907282055932356
  0.8123725093291085  0.0355437444219575  0.5448097138515564
  0.5209589497725702  0.5448109139018840  0.0355444111710383
  0.8542946143920531  0.9644576322273011  0.5092666961456942
  0.6876256024161194  0.4907282509511859  0.4551849256206566
  0.5490253375994385  0.4334369234555240  0.4805090304628692
  0.7156930583731835  0.0470706303066279  0.5665580919468809
  0.8823591034273122  0.5194897872812945  0.9529310681113756
  0.9509747025413517  0.9529313150311509  0.5194877848370680
  0.7843072027529203  0.4805085800514064  0.4334376044430215
  0.6176390816201121  0.5665590121692361  0.0470708937744320
  0.5098812710484708  0.3993374777600067  0.5131915639562976
  0.6765484147105312  0.1138535115596753  0.6006581816710295
  0.8432145677415690  0.4868081576786878  0.8861485561282834
  0.9901193427158574  0.8861488961791721  0.4868057379819248
  0.8234512707932780  0.5131906918630662  0.3993375449858476
  0.6567850509974136  0.6006577756638620  0.1138534136646854
  0.5608453107691531  0.3842167805247669  0.7799288632005101
  0.7275120604570944  0.3957149204507004  0.6157842723831948
  0.8941796024585429  0.2200721988109891  0.6042844965770229
  0.9391541684519424  0.6042835859550593  0.2200720294886622
  0.7724876825978981  0.7799278802873104  0.3842155654318304
  0.6058210932632946  0.6157837687664909  0.3957150194446086
  0.0229992087966693  0.3501893428230289  0.5871451529196250
  0.1896645087796287  0.2369568638635187  0.6498085276189016
  0.3563315236483078  0.4128565482295770  0.7630444302229975
  0.4770017526191737  0.7630440852755314  0.4128563333631377
  0.3103331816409849  0.5871459913116155  0.3501908203197956
  0.1436707981720673  0.6498091066779565  0.2369567738577274
  0.0295324331412274  0.3551827862972701  0.7159907956378859
  0.1961989458110764  0.3608144488403298  0.6448219212362574
  0.3628658968784535  0.2840096826153058  0.6391864249695871
  0.4704662131621475  0.6391863777405931  0.2840100273079074
  0.3038012483941728  0.7159904863716093  0.3551825106266477
  0.1371348045704934  0.6448197307704788  0.3608135074079186
  0.3129207680938251  0.4194804134643633  0.6263466454557829
  0.4795876265916661  0.2068699288614724  0.5805176404084591
  0.1462539635176867  0.3736533406707849  0.7931298009992034
  0.1870810492772179  0.7931300780683230  0.3736517217280237
  0.0204122242221274  0.6263478720972060  0.4194807087708412
  0.3537453419635028  0.5805176809282244  0.2068702728021208
  0.5229996293943699  0.3501898486245736  0.5871446793576567
  0.6896634976798452  0.2369565309803079  0.6498091036782370
  0.8563326600906720  0.4128564074384258  0.7630444814690591
  0.9770021732168743  0.7630445910770760  0.4128558598011765
  0.8103336022373995  0.5871455881113121  0.3501903467527541
  0.6436690712257018  0.6498080568846518  0.2369568251014300
  0.5295328537373720  0.3551831000069754  0.7159908468871663
  0.6961986505612785  0.3608145001408758  0.6448214476724345
  0.8628648857802261  0.2840095418239343  0.6391864762176809
  0.9704687812991537  0.6391859745405029  0.2840095537388336
  0.8038016689918734  0.7159909921731540  0.3551820370646794
  0.6371345093212568  0.6448183482510004  0.3608119842114732
  0.8129204728424639  0.4194802726730629  0.6263466967032016
  0.9795880471868870  0.2068705049802659  0.5805182164715106
  0.6462543841138313  0.3736536543804903  0.7931298522484767
  0.6870793223312148  0.7931301996859617  0.3736522977905707
  0.5204133606626442  0.6263482561242242  0.4194818096444521
  0.8537464784065065  0.5805179946380008  0.2068703240507190
 
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