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    30    49    29
Direct
  0.5289717729029491  0.2392999439510248  0.7499975565789114
  0.2386654896282749  0.5176807754875554  0.7509524447911531
  0.2654156191145418  0.2674490238156864  0.7503661202666621
  0.5266806534860606  0.7363056787898827  0.2501723195069943
  0.7352466984031025  0.5277821261450555  0.2500698505629799
  0.7616450326040933  0.7628391567671287  0.2511491878019427
  0.6165778456493172  0.3253404143575196  0.5605217304034014
  0.0513102423085172  0.6219058911315614  0.5639685999392583
  0.3237382900171113  0.0518950536927321  0.5619349119688195
  0.3725309266519261  0.6767159194079824  0.0637397802100992
  0.9458717482992967  0.3790426746233351  0.0637503999220499
  0.6783942040388098  0.9468895360859690  0.0608058352617107
  0.6723676829741407  0.3770964860283854  0.4381410389640834
  0.3788243257037109  0.9435267019872384  0.4404447017833562
  0.9447148377376280  0.6771698043263186  0.4414501410974694
  0.3167588886979473  0.6229115119130171  0.9423662502857084
  0.6244120210786335  0.0531847172062356  0.9380828199424229
  0.0528840597326621  0.3231788468923114  0.9415202630008608
  0.3700644497146044  0.6758248676668543  0.4347651820245062
  0.9450459182537756  0.3772873253968285  0.4379017456398202
  0.6778876241907170  0.9483249396162066  0.4392748981155421
  0.6163599765291181  0.3223351835559001  0.9419284415887432
  0.0482656255302487  0.6251223552849794  0.9348139756630616
  0.3240578937686536  0.0516737547302455  0.9384465202562069
  0.3141607691140678  0.6230647842951171  0.5564574064707770
  0.6234830254572827  0.0546014775388670  0.5618931807411656
  0.0530878290297423  0.3214554987706961  0.5597084220962429
  0.6720567504601931  0.3751807803621716  0.0638149728188608
  0.3788759683720073  0.9432577537390330  0.0599460456188297
  0.9422921381245430  0.6804788348444930  0.0574620435089983
  0.1808238035283054  0.7132953885613134  0.7204324428144986
  0.9093578395311610  0.8097548659384586  0.2232318126939035
  0.7446389003001244  0.9981017027625469  0.7507770566794392
  0.7634708620137403  0.8861123629416880  0.6936673732617109
  0.7236354517235455  0.8958187180525385  0.7923106594852811
  0.8576885349375161  0.8664587681138585  0.7685005678553907
  0.5632980877529192  0.4012872539886203  0.5319009743295524
  0.0279517671930805  0.5690169575763804  0.5355613494134630
  0.4011291932490124  0.0285658837824911  0.5346932805739115
  0.4246911246373060  0.5989669897315366  0.0370218707727616
  0.9692886222382526  0.4319470367318914  0.0353453686538217
  0.6011099320876099  0.9702358594218197  0.0335068208778111
  0.5939690165157856  0.4299645919495916  0.4642632904643591
  0.4315007585484878  0.9688377900309462  0.4671198203144087
  0.9691258554099633  0.5995064310481126  0.4677750679369126
  0.3939588334469946  0.5693857728156431  0.9698058853713363
  0.5712809025075813  0.0291160947072413  0.9656863714082746
  0.0282059203379319  0.4011245390834972  0.9674343718950809
  0.4229327132479810  0.5989957730468873  0.4624276933880722
  0.9692498869969413  0.4299353300440671  0.4657068745699675
  0.6006090754994844  0.9714085821749947  0.4665662293500290
  0.5636264178686687  0.3990856788343748  0.9697623497892991
  0.0258226958023258  0.5718380420839537  0.9637930360852920
  0.4015125096112726  0.0280957832814721  0.9656037811342202
  0.3922421252174928  0.5699801334059913  0.5299626750349731
  0.5705611974363407  0.0302742999202721  0.5343621902788982
  0.0287635062385050  0.3991213752184066  0.5333905396074030
  0.5942585351294696  0.4283838490422198  0.0370785672358522
  0.4317426754175244  0.9683303143259252  0.0331963523314442
  0.9675043478705376  0.6022574986127509  0.0318468461855232
  0.4321410995364658  0.4397195684753470  0.6384527547020440
  0.4623892246643351  0.4712458512459676  0.5655246943576273
  0.1237385884677096  0.4365576120135799  0.6399201483500434
  0.0586124248288016  0.4684364670179235  0.5691379162716572
  0.4390226368743981  0.1256055175886601  0.6401039240545714
  0.4703529554969776  0.0598519396414119  0.5689762504914953
  0.5601706535367441  0.5621495935832357  0.1399461693414352
  0.5252329301553829  0.5288075641913892  0.0712093524922679
  0.8743820258225696  0.5668800003389194  0.1396778331865463
  0.9386297635350687  0.5326903380747297  0.0686465568853976
  0.5655015738268006  0.8747686346969630  0.1393082598972200
  0.5316244682821960  0.9393012733096242  0.0681085311555947
  0.5592777458482345  0.5624814149187500  0.3601383558473401
  0.5242994254526465  0.5293723959305083  0.4290440697857463
  0.5654440876422342  0.8751628947766150  0.3613030642811452
  0.5313837639351036  0.9400409343402814  0.4321200774084772
  0.8737428189044465  0.5652448114655542  0.3614102755394057
  0.9390134470836529  0.5303348167771205  0.4320100003967511
  0.4329426351544328  0.4374814946069989  0.8629094048909209
  0.4634330972780347  0.4694517922846302  0.9355057918826901
  0.4395004525651629  0.1252280010908180  0.8602391676579444
  0.4709439833688123  0.0591203237569360  0.9312480592915904
  0.1224765441279843  0.4378193496005451  0.8603387261116566
  0.0572040958392179  0.4706768852413390  0.9308540517520214
  0.7724368791207610  0.9118327713675001  0.7513523361686509
  0.4988003591663386  0.3489366116921744  0.6667964507984578
  0.1495063026950021  0.5027159310456213  0.6686252105988189
  0.3454531821879883  0.1546894576911200  0.6700039913558982
  0.4977999762076237  0.6561398287053777  0.1687793670088809
  0.8419979712884142  0.5051088883181407  0.1691253949669687
  0.6568180652381841  0.8512859744083201  0.1689614339869081
  0.6534759592874337  0.4993014197837269  0.3314135025149767
  0.5041571889440135  0.8419785575433210  0.3323564816874622
  0.8492035652869063  0.6569226775250172  0.3327715702187319
  0.3407769325164551  0.5036704171300670  0.8334861033695802
  0.5058965296050246  0.1507551472499529  0.8325584242248212
  0.1545169659623653  0.3435485679099202  0.8318786990657969
  0.4968304302865079  0.6565074531645152  0.3313129494885203
  0.8415316443035010  0.5035212864626146  0.3317063541541927
  0.6570374381982020  0.8515540462469886  0.3314015849991492
  0.5003091348994886  0.3473077025165239  0.8339487117862774
  0.1478086940778596  0.5039968125170304  0.8303493861719460
  0.3455806567631754  0.1549556725956833  0.8308446179510796
  0.3407555577278103  0.5066220924932452  0.6689747660917220
  0.5052723113548723  0.1514856235462929  0.6674642653905849
  0.1541409762515897  0.3430207379043608  0.6694080008239354
  0.6543886805460204  0.4988883185468111  0.1686268424100348
  0.5032656098176105  0.8426064130095909  0.1683642860066428
  0.8506672691288344  0.6579998960194473  0.1691895652980975
  0.3251359349503034  0.3445793407553168  0.7496979359726268
  0.6768239428910974  0.6757135111964629  0.2497030950296732
  0.1671743077958538  0.6639008180564616  0.7498423923087358
  0.8417709568567631  0.8292548782720672  0.2490169686844652
  0.6612455145283178  0.1789926605383059  0.7493474278142926
 
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