Ti  H  C  O                             
   1.00000000000000     
    14.2838999999999992    0.0000000000000000    0.0000000000000000
     7.1789957129999999   12.4450173320000008    0.0000000000000000
     0.0121829700000000    0.0027684620000000   17.3639955049999983
   Ti   H    C    O 
     6    27    48    29
Direct
  0.5158593241389653  0.2447748919545276  0.7485120573924036
  0.2405519219639984  0.5168945389284687  0.7507793926948523
  0.2664050461386438  0.2657828650040059  0.7504666766498360
  0.5273379822125364  0.7349012010248828  0.2498917947053485
  0.7343495846040753  0.5281766729519148  0.2500127346122554
  0.7609703042821039  0.7632890284384928  0.2509739189200531
  0.6194914907706277  0.3231910600548176  0.5604758419338225
  0.0526159278761682  0.6209793315008696  0.5640159257804385
  0.3231004657567027  0.0499054982015750  0.5617595326600480
  0.3737971696488671  0.6745766654117773  0.0620225914991650
  0.9456172931808027  0.3788243227105852  0.0631173856088836
  0.6778757516991050  0.9481215911954806  0.0615376800628837
  0.6739714532743406  0.3757975016977895  0.4383582106899411
  0.3790071011581162  0.9418541464251078  0.4402529358982363
  0.9455387373029183  0.6765123068028061  0.4416230122722524
  0.3196246100092566  0.6201000788808244  0.9405116463717960
  0.6245239196156760  0.0548234816093967  0.9394462233823333
  0.0529267512664902  0.3226170804524813  0.9408986540739122
  0.3714626113052972  0.6743496339499870  0.4360246463908553
  0.9450240162520700  0.3772704117091976  0.4382171141318807
  0.6765950999919070  0.9493947128012508  0.4393574046827666
  0.6196498113290971  0.3194830459419151  0.9420233952081958
  0.0498873489894294  0.6237108659138713  0.9346212970008452
  0.3257056144164636  0.0500012195710937  0.9369663793863126
  0.3165224186503934  0.6213447423570884  0.5576786746582343
  0.6211864534719211  0.0562551047060040  0.5614116864515992
  0.0532123665879709  0.3211879447872334  0.5600439136948481
  0.6737293489373286  0.3736012245979765  0.0636760127979557
  0.3796501433555832  0.9421544146756631  0.0585089992512096
  0.9432711723056499  0.6794254707153442  0.0571585036240165
  0.1903175856755652  0.7070729452212063  0.7205956714511359
  0.9131838680544533  0.8041061955014683  0.2255621408605037
  0.7138312879806250  0.1188379437094085  0.7837314859982172
  0.5658964931576875  0.3996704355132721  0.5326072560510013
  0.0287614532897180  0.5683171331216741  0.5358311684266965
  0.4004384369655654  0.0271240953736580  0.5346517163821360
  0.4265490261624123  0.5968012279683208  0.0355338723637857
  0.9691989232114011  0.4315794740683856  0.0346636809383369
  0.6010854157992824  0.9707577258216276  0.0336927062571277
  0.5958983129591360  0.4287123770623467  0.4648924262664949
  0.4312489345298687  0.9676135170589930  0.4670497638440878
  0.9697137725605245  0.5989533013431583  0.4680518373585016
  0.3967271604099381  0.5668388808263245  0.9681562054746706
  0.5715973934316523  0.0296131339606305  0.9658917496938173
  0.0282476035210522  0.4006112224932963  0.9667435121810684
  0.4248013036637346  0.5975922993765010  0.4636064319229973
  0.9693420858347324  0.4298089411155175  0.4660632397462692
  0.5994380331278393  0.9718201192543887  0.4666028620928273
  0.5664602310813009  0.3967481246126709  0.9690263969001194
  0.0267399167233222  0.5707780742571771  0.9633410694666011
  0.4028216861573313  0.0269111622934020  0.9644773286872592
  0.3946910648592876  0.5684611874122112  0.5312227820690154
  0.5688531872511717  0.0308453411177680  0.5343021424607315
  0.0289126207726156  0.3988875298270500  0.5337901635214664
  0.5962595500604451  0.4266076102506560  0.0364449529958577
  0.4325553382953800  0.9674836655636341  0.0321527381091116
  0.9681111294119660  0.6013871282591623  0.0313407130198371
  0.4336798858867752  0.4385933690000030  0.6385932314257445
  0.4651326650243064  0.4694730793775364  0.5668816256699429
  0.1248548913156284  0.4353668388624499  0.6401188019657909
  0.0591531566833581  0.4678919497336693  0.5694772264340102
  0.4357384576987826  0.1257314264557792  0.6394231095488863
  0.4688440921064796  0.0594908325950669  0.5691092235744080
  0.5607824540624975  0.5610216597356299  0.1393268040931801
  0.5268142034035392  0.5271824767004674  0.0704146692302459
  0.8744869011459429  0.5665274607896009  0.1394028234632430
  0.9388472284311860  0.5321247437502734  0.0680310012554344
  0.5654207998119460  0.8744596138672520  0.1390480664029639
  0.5318992856698088  0.9389735532945878  0.0678553504382506
  0.5600598992363999  0.5615100147676912  0.3605374119221167
  0.5259859410233290  0.5282556333582633  0.4296562964354464
  0.5653072548685074  0.8748296613951680  0.3611035258673283
  0.5309617971637479  0.9395369866391405  0.4319789185524812
  0.8739124744607096  0.5651136741653957  0.3614029961130214
  0.9393151549354783  0.5300517412750878  0.4323313719954811
  0.4352199772242287  0.4352194260987190  0.8621028492946508
  0.4666177331362604  0.4666754885774296  0.9338962334636918
  0.4395480998761627  0.1247406324239293  0.8599242032572718
  0.4719939093020642  0.0587298742461684  0.9303711231293619
  0.1238271514089817  0.4362765295820097  0.8600543576332811
  0.0577929919516009  0.4698020364518527  0.9303048941327177
  0.4992566190409065  0.3465981391782833  0.6682954966590771
  0.1524003350477301  0.5002764247096252  0.6686830802655166
  0.3425107823600797  0.1542461695954600  0.6695941608975886
  0.4980387440933711  0.6549628860012859  0.1681554224751594
  0.8422306598090117  0.5047219185025327  0.1686771917878360
  0.6565945017707406  0.8515120517441943  0.1689593849039639
  0.6544097923712258  0.4985121262575021  0.3315734560252608
  0.5044837941319145  0.8411439267646657  0.3320445457579027
  0.8496710609512519  0.6567124603156884  0.3330546819327793
  0.3428652307589530  0.5006384705655691  0.8327933508066181
  0.5045002975931467  0.1524915395713791  0.8308393074535090
  0.1554561503069252  0.3421102165641869  0.8316622747248275
  0.4973429632397526  0.6553918102107872  0.3314340871801562
  0.8418918474635362  0.5032971058040374  0.3318792612184538
  0.6569247471317325  0.8517676151900773  0.3313269689768887
  0.5016188169551867  0.3440900554681505  0.8319767184827995
  0.1509994610540701  0.5011500930547967  0.8302104199375648
  0.3454047475736743  0.1549631945898255  0.8309153268235647
  0.3418935556576486  0.5040015117142431  0.6691265265908655
  0.4998694578416973  0.1551884656607001  0.6671051024324726
  0.1547684349916878  0.3421333877110087  0.6697076140483631
  0.6551129988006323  0.4981032963021335  0.1682682997216105
  0.5035528889354453  0.8416103661660586  0.1677488340262059
  0.8512152610707844  0.6575533953197521  0.1685407024643197
  0.3360971228542979  0.3356157120393348  0.7501084641636453
  0.6774064757650677  0.6758736491408186  0.2494967243427624
  0.1685946700027046  0.6635333080495158  0.7500485701145081
  0.8429626455348043  0.8280150459180362  0.2486587835591578
  0.6629474860831266  0.1706073089548212  0.7473763740760688
 
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