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    26    48    29
Direct
  0.5281956642791314  0.2372976295972293  0.7501418116054381
  0.2382154151687388  0.5181721812133873  0.7507772896517793
  0.2650207412528047  0.2670934108548053  0.7506119317021387
  0.5271029787070560  0.7340370866839905  0.2501606772127900
  0.7362883954905612  0.5259680954740844  0.2501331167154177
  0.7611729409355519  0.7616884264364785  0.2514434518273845
  0.6175288799469740  0.3242057727769350  0.5620069762894957
  0.0524758529347764  0.6211081854049425  0.5632036929414781
  0.3228866501372991  0.0497401081976960  0.5620474568534846
  0.3765979734955920  0.6760797870137552  0.0626159302904981
  0.9462717462172137  0.3783940804581434  0.0633157280680550
  0.6772832405620406  0.9463886798034267  0.0612484076289945
  0.6747366436471154  0.3756555386107721  0.4400601227141010
  0.3779295876928330  0.9419742805873810  0.4402508887264887
  0.9453064342396189  0.6761285202279410  0.4408955790186297
  0.3191050993997919  0.6237579096090968  0.9413446575669866
  0.6229312162423497  0.0526694577654823  0.9385438273751419
  0.0534914404019844  0.3232936026370510  0.9411260284638772
  0.3737126441187115  0.6756814292962048  0.4365494712740343
  0.9462152705481088  0.3759406073767764  0.4379243417255836
  0.6762694784311378  0.9481344569075105  0.4389464926911302
  0.6170802970649660  0.3217243914729266  0.9397293276315892
  0.0493140944741697  0.6250745478187909  0.9360375879949743
  0.3237043812032283  0.0489440044521814  0.9385106469854207
  0.3166665096681243  0.6234314983961013  0.5579504474551129
  0.6219004045810266  0.0538774705561167  0.5617196438989822
  0.0547532096724765  0.3204038116279548  0.5595842903394583
  0.6748363255947822  0.3733002033348853  0.0612955363408716
  0.3789026969896483  0.9406227825904807  0.0601097513707174
  0.9432182619765399  0.6796143260127110  0.0586481406255146
  0.1874466990119004  0.7100873538280581  0.7190134482879387
  0.9089512278119045  0.8054876014030441  0.2205903581101154
  0.5649301123520516  0.4003761652818270  0.5333967212411821
  0.0290308651946205  0.5681498458154692  0.5350015694927066
  0.4001308129667578  0.0268056335596825  0.5347127697149503
  0.4279410202418106  0.5983114773865168  0.0356627357906802
  0.9698578505718416  0.4314059728133302  0.0352756898169204
  0.6001754408709346  0.9692217949036532  0.0338415090247892
  0.5962776713716096  0.4288733932971596  0.4659798114302234
  0.4305014300152479  0.9673831702033269  0.4669815621377182
  0.9699450321446008  0.5984841293957430  0.4673430559481702
  0.3963050396380794  0.5695297082822464  0.9685173594347347
  0.5701103661858937  0.0281010607438787  0.9660250903843064
  0.0288162518740194  0.4010336468498465  0.9673954689519420
  0.4259281474433649  0.5986237357166999  0.4641424822427709
  0.9704266154226957  0.4286880839420633  0.4655688779365121
  0.5991633722466361  0.9707517731101731  0.4663464614040365
  0.5651593053576320  0.3984651086851372  0.9678633672686701
  0.0266638034057181  0.5716806826239136  0.9646144765879754
  0.4009888281449179  0.0258610365406469  0.9657561631676330
  0.3946610165748226  0.5698738078970536  0.5315117580092164
  0.5691004533778354  0.0293303272672603  0.5342678860461803
  0.0301495794795699  0.3980559018575178  0.5331354605696248
  0.5968095608082393  0.4270644744948910  0.0350455516662649
  0.4314341752087572  0.9661247270857700  0.0333619526605702
  0.9683314399759766  0.6016271859266595  0.0326547619487556
  0.4325761200959377  0.4386401301799907  0.6389771003436238
  0.4639302623874926  0.4706170352759571  0.5667519863462829
  0.1243345589095171  0.4361835939072662  0.6396979931980624
  0.0597663453069757  0.4676379805359048  0.5687210952834647
  0.4378116157044545  0.1239046588243298  0.6403377733457134
  0.4691335460063613  0.0583114594908238  0.5690566206427405
  0.5627763041973566  0.5595990207236952  0.1391654965229492
  0.5283068819686036  0.5272517918315600  0.0696985037261726
  0.8751098353936513  0.5656136256422784  0.1400221521590268
  0.9393141413107955  0.5318800814067615  0.0689917495243222
  0.5652218335965173  0.8730880809495716  0.1394767308788047
  0.5311125029942403  0.9376903286177267  0.0683315792769008
  0.5612907541512371  0.5606399056206186  0.3610260848069089
  0.5269809712239706  0.5282979931981373  0.4306287331254524
  0.5646427028406649  0.8740449476104786  0.3611396551186701
  0.5302276421029788  0.9390359947032749  0.4319072061615898
  0.8741417024008058  0.5640243220640642  0.3614993103035857
  0.9398166092242093  0.5291589376621602  0.4318624473939749
  0.4328258246381651  0.4373446024941785  0.8621875235784060
  0.4647132386886454  0.4693477454896069  0.9341630614830336
  0.4382383018269209  0.1237938261216982  0.8605138347921795
  0.4699664669614876  0.0575000972369963  0.9314870986185966
  0.1226368232874435  0.4384842007853962  0.8605366473974598
  0.0578434132007146  0.4708279152318724  0.9312244768745543
  0.4981052426057175  0.3471583302750858  0.6668339065852322
  0.1494423145427888  0.5027308969283411  0.6686055348857849
  0.3443194716071503  0.1531338940149141  0.6703619201274194
  0.4998715198830865  0.6531109622006852  0.1685748723207823
  0.8432123359202492  0.5034081757890689  0.1693569811823039
  0.6564731037440836  0.8498572231892112  0.1691128236196278
  0.6552302732927160  0.4973595944662108  0.3319688657884541
  0.5038645325951023  0.8402876957930161  0.3322003314898936
  0.8485557805950918  0.6561614557203157  0.3332177566310577
  0.3405913186685368  0.5041727083251146  0.8331128429274059
  0.5046628799556814  0.1492874327330966  0.8328681904127393
  0.1547330706793204  0.3442060840174008  0.8320484656913578
  0.4981972887514914  0.6541545746892368  0.3316377617185964
  0.8426555586723268  0.5018351861906041  0.3316290054060858
  0.6562475569517687  0.8507172138110022  0.3313173626280204
  0.4989897703876238  0.3465292605482873  0.8335408257376855
  0.1473375055953028  0.5050383188425016  0.8303164136472745
  0.3442812926503152  0.1537432979821958  0.8311368296443007
  0.3411862229471936  0.5060415465048180  0.6692721879796508
  0.5042588280042963  0.1495378043607900  0.6676722809833606
  0.1546951804925101  0.3426935292937117  0.6692643843803694
  0.6567141663730922  0.4961333706278239  0.1681597810215010
  0.5032376103065133  0.8405867182170823  0.1684595141886831
  0.8509547005483356  0.6567971985158039  0.1696189826507108
  0.3244839291724659  0.3443649106138622  0.7498868453341458
  0.6772657175993402  0.6739255739845333  0.2496737619029403
  0.1682653417356832  0.6644815131590178  0.7482908367121368
  0.8423156144567301  0.8271304613933381  0.2484998366159061
  0.6603856341398071  0.1753289173710399  0.7497841115924260
 
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