Mn  H  C  S  O                          
   1.00000000000000     
   -14.1214912150000007    0.0004533090000000   -4.6970020290000001
     7.2086121609999996  -13.7252825580000000   -5.9544738590000001
    -0.2944755070000000    0.0007332400000000   16.6047381989999998
   Mn   H    C    S    O 
    12    12    48    12    24
Direct
  0.4088468002215606  0.3177550928015478  0.6588552323276389
  0.7499976019324421  0.3411101435200052  0.6588873344182176
  0.0911581241542052  0.3411479182440900  0.6822447978150663
  0.5911568367851885  0.6822444696812155  0.3411479093565291
  0.2500011319785287  0.6588894186623762  0.3411132157382255
  0.9088434753866963  0.6588531012047056  0.3177558810470700
  0.2500051726693968  0.3940194045472154  0.6059832396640701
  0.6440594411176761  0.3940734749213206  0.7880557073437444
  0.8559401602181680  0.2119440735937914  0.6059287412093894
  0.7500002862962845  0.6059823437481313  0.3940199967586366
  0.3559417816155133  0.6059268159451108  0.2119452058978055
  0.1440599819680273  0.7880540313992199  0.3940704802826573
  0.3544015805476022  0.5454591918485718  0.9695032375094002
  0.3849140021906479  0.0305186307026730  0.5759978942990784
  0.8088886293944739  0.4240991008459147  0.4545785939321760
  0.1150806061564396  0.4240009635895632  0.9694821021309252
  0.6911089746382117  0.5454252420941685  0.5759043284886118
  0.1456023640634498  0.0304947670004765  0.4545452509951886
  0.6455985985145958  0.4545418275640216  0.0304976417649954
  0.6150879245473817  0.9694816601976441  0.4240032180973046
  0.1911086843033445  0.5758990040431087  0.5454204296624567
  0.8849178130264477  0.5759993271097272  0.0305174157693386
  0.3088897592727591  0.4545743200882129  0.4240962216678312
  0.8543981918064603  0.9695069809944954  0.5454553938998004
  0.4227162306307477  0.4600265951531171  0.9047264189418271
  0.3370126514854377  0.4240382379071690  0.8071842837888070
  0.4184799380242552  0.5254442833268271  0.9840658233569997
  0.5051009616760567  0.4328569121507755  0.9198347620350518
  0.5179315427646145  0.0952943537517044  0.5552730271970603
  0.5297644733696885  0.1928661522447754  0.6168354565658731
  0.4343947131589161  0.0159533232353510  0.5413699624487123
  0.5851744233770333  0.0801332418873315  0.5129594123012922
  0.9626827530991733  0.4447822725447494  0.5400342451616922
  0.9129411887817511  0.3832085916301011  0.5760110182313625
  0.8929974357539550  0.4586166250255559  0.4745519849942639
  0.0722339401267007  0.4870310382236198  0.5671674214971461
  0.9820639717208195  0.4447237073132868  0.9047033429506115
  0.9702284251297044  0.3831601727143266  0.8071329974038477
  0.0656015372926859  0.4586303598189190  0.9840440027677673
  0.9148250274204131  0.4870412796936847  0.9198663294241811
  0.5373144992392298  0.4599636218097274  0.5552155381678929
  0.5870535827047334  0.4239860524418049  0.6167881487922529
  0.6070007969632414  0.5254494466070128  0.5413857696070039
  0.4277626106403076  0.4328282502402914  0.5129630018565052
  0.0772855934812071  0.0952746117394767  0.5399766420263532
  0.1629947663669640  0.1928161549110143  0.5759654496045314
  0.0815242577072155  0.0159337281644767  0.4745589166934181
  0.9948998061193990  0.0801678833039858  0.5671449835942965
  0.5772849793678603  0.5399751530020325  0.0952768199957248
  0.6629892253764567  0.5759620531194471  0.1928192234953059
  0.5815223901939959  0.4745581933498642  0.0159355841901885
  0.4949002732606189  0.5671448359412352  0.0801672794586352
  0.4820703715043777  0.9047059371801822  0.4447286839212623
  0.4702370887641081  0.8071348672987426  0.3831670184620606
  0.5656057931004099  0.9840469676287569  0.4586313503599300
  0.4148296522514912  0.9198699635342464  0.4870439553419530
  0.0373142211980451  0.5552151036671802  0.4599632166465568
  0.0870553840352386  0.6167865988054473  0.4239861484260814
  0.1070005946832850  0.5413800226086281  0.5254449120592000
  0.9277626823008731  0.5129656093427855  0.4328290772466445
  0.0179323484476939  0.5552736687384581  0.0952915248150674
  0.0297703589229528  0.6168379320846142  0.1928634308907959
  0.9343955486947308  0.5413699306231479  0.0159515244912356
  0.0851742079886080  0.5129590107553383  0.0801279991335377
  0.4626850007561956  0.5400373975058272  0.4447839445078046
  0.4129455033414331  0.5760127811289451  0.3832116374545791
  0.3929979987618069  0.4745530299318048  0.4586152408879229
  0.5722368522135710  0.5671713119128299  0.4870365500109131
  0.9227135665825159  0.9047285934132887  0.4600247328110925
  0.8370061164345231  0.8071863217926207  0.4240373557987738
  0.9184774039133003  0.9840687483836064  0.5254404955331324
  0.0051003358012451  0.9198316789461742  0.4328559648718198
  0.5064763902800351  0.3380480855777677  0.8263357697666152
  0.6800588625998358  0.1736418512063054  0.5116945307706686
  0.1683819096041717  0.4882968106810992  0.6619520665705707
  0.8199429104001368  0.4883074412729442  0.8263585516123868
  0.3316195684929752  0.3380451737117554  0.5117020716777745
  0.9935266614286178  0.1736682458140493  0.6619532113487878
  0.4935241035102536  0.6619522053179168  0.1736661417639596
  0.3199430516691564  0.8263584397255883  0.4883071803476469
  0.8316168741829415  0.5117027513749832  0.3380460886981425
  0.1800555212517807  0.5116928493947697  0.1736403675659446
  0.6683834265885622  0.6619558458364025  0.4882996042159746
  0.0064752899819283  0.8263335022802707  0.3380484305778069
  0.3628774738389708  0.4232427308648354  0.7386068880378431
  0.2439810936643170  0.4000511222954586  0.7965909178108816
  0.6242162739892052  0.2614230315738197  0.6846498617962880
  0.4473295196163676  0.2034679589773560  0.6034176621193481
  0.9396098144286000  0.3154316748391395  0.5767979447906342
  0.8439139123049486  0.3965916543244390  0.6000245157355195
  0.8757774066436710  0.3153471363685370  0.7385750012435111
  0.0526646338437118  0.3965745622492420  0.7965316042666970
  0.5603858756136972  0.4231982806124179  0.6845664507101645
  0.6560834050514686  0.3999735397954538  0.6034053022484329
  0.1371324640650897  0.2613924377902705  0.5767604273516795
  0.2560224832564160  0.2034053546105312  0.5999516445693800
  0.6371282998548011  0.5767582889136094  0.2613973806410499
  0.7560208333392566  0.5999477113477099  0.2034084676114318
  0.3757867086232949  0.7385779880059147  0.3153524128193865
  0.5526702332930853  0.7965294174648534  0.3965823924740377
  0.0603892716175665  0.6845671587316104  0.4232018414561978
  0.1560847969335128  0.6034064506639396  0.3999755048907119
  0.1242213031258856  0.6846480541055371  0.2614215654345813
  0.9473333713899095  0.6034235427052437  0.2034682172047013
  0.4396124570826032  0.5767976385364335  0.3154320773214110
  0.3439160453333727  0.6000260223892440  0.3965948483409178
  0.8628707958684032  0.7386078533672702  0.4232446756859716
  0.7439787270077431  0.7965949362874696  0.4000498673941024
 
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