98
MOLCAS
  Dy  16.20267219893960     16.30723651896074     22.95770569274756
  F   15.68534336019956     15.24597499646471     25.07681231820989
  F   16.26551296109665     13.96338480535507     22.34925003045735
  F   18.34062933564878     15.44011126816346     23.58255002841199
  F   17.25893843491354     17.80180686893846     24.51372790998548
  F   14.58114213951192     17.84108577977591     23.90425117433445
  F   13.97600420416896     15.42370055568848     22.67385447734040
  C   15.45266957531581     17.58275191647409     20.84681636723319
  C   16.05115019293675     16.36098833260080     20.38195967480569
  C   17.45123558923381     16.40073170207373     20.70560806922490
  C   17.71844295804744     17.64919677167160     21.36718986536942
  C   16.48438499780453     18.38075977365790     21.45330670967937
  C   14.03287574275101     18.01249094655438     20.60370285257302
  C   15.35585725782747     15.29502417320534     19.58220175489591
  C   18.48460551349019     15.38909123546921     20.29581954388190
  C   19.07607977105739     18.15171233251403     21.77336244433943
  C   16.32559687817130     19.78703552710376     21.96071482488706
  C   15.86070002322090     14.59397204085617     26.32105560038296
  C   17.15740437658825     14.28589030798851     26.71593783614621
  C   17.31544115805147     13.63662516694666     27.95345330325477
  C   16.19340445542043     13.32801994711580     28.74287208431539
  C   14.90237883191869     13.66536804040796     28.29893319559067
  C   14.71887062987226     14.31239166008389     27.06219488780471
  C   15.53963589004768     12.82990115667539     22.77960044673861
  C   14.49568557095133     12.38781728181784     21.97336372345476
  C   14.07386231090488     10.67885275083245     23.66779759144491
  C   15.15035051523178     11.15616168503605     24.43729011308287
  C   15.91187630318985     12.25197599596141     23.98933337485648
  C   19.31779619418971     14.46044265355966     23.87394399819727
  C   19.28122679831555     13.25769626630281     23.17595582419437
  C   20.25066589344926     12.29512129537711     23.51661664581362
  C   21.20026557260610     12.55997875226057     24.51919435911003
  C   21.19602039579114     13.79611932890039     25.18972822199892
  C   20.23921587499953     14.77668820048165     24.86781519569114
  C   18.00125442120867     17.82498567437052     25.71566962981503
  C   19.35025040882051     18.15218283391846     25.62125057468625
  C   20.09100693623444     18.16455637823857     26.81848851124629
  C   19.46898194401595     17.85573666220045     28.04221463508794
  C   18.09840840123527     17.54523857713677     28.08242815793766
  C   13.75486190823122     11.28540752813212     22.43873838861541
  C   17.33527895694841     17.53050299299761     26.90062175534073
  C   14.38784797821718     18.35281265422170     25.20711076206466
  C   14.96901315221550     19.57904348446184     25.51359927468344
  C   14.81392130350464     20.04845652074929     26.83093416860975
  C   14.09757332579164     19.29365984303655     27.77730850831196
  C   13.51426168010278     18.06741967879734     27.41145146225086
  C   13.65262218584624     17.57824326894778     26.09899630796732
  C   12.78343316089864     15.34599530757571     23.42630085109904
  C   12.62359981192368     14.25038708005894     24.26944185955798
  C   11.44183294607650     14.19914682084351     25.03323783285446
  C   10.48278904784804     15.22290216144072     24.93198419287073
  C   10.68977913636619     16.30364101234336     24.05572551459838
  C   11.86057654983495     16.37683296464722     23.27864981196028
  H   13.63894244405133     18.65126896846424     21.42274121808135
  H   13.35285407227940     17.14412353991222     20.47990702447635
  H   13.96778537309240     18.61191685051188     19.66603014032158
  H   14.31054529531843     15.12994755378395     19.92101180353928
  H   15.89288018047670     14.32492505481953     19.62481595643203
  H   15.30418128172215     15.59262018942871     18.50923179312223
  H   18.07109008910874     14.35960295770549     20.25084216206540
  H   19.35996820039440     15.38028997398005     20.97870185595940
  H   18.87069951909957     15.62776889098619     19.27755601492499
  H   19.69763080706203     17.36356221333367     22.25103011553116
  H   19.00246454148617     19.00969099555741     22.47302487377377
  H   19.63869885904523     18.50680352704269     20.87912663104987
  H   16.99521236745061     20.00240636829092     22.82064934812236
  H   15.28164568688186     20.00111599694285     22.27038083749394
  H   16.58325265578240     20.51689081909100     21.15860786637617
  H   18.02366516961681     14.54154532545999     26.09163502941734
  H   18.32970142855548     13.37694353475569     28.29587021661830
  H   16.32559142458133     12.82052089470150     29.71145024294710
  H   14.02090811778584     13.42466122847701     28.91443402386942
  H   13.71948779763687     14.57585247968693     26.69028921986164
  H   14.25958380184507     12.88937621496877     21.02389221021641
  H   12.91699055157926     10.90613789106407     21.83235430328661
  H   13.48234951134918      9.82123186802948     24.02519324058494
  H   15.41144076738357     10.67653291725899     25.39397782962330
  H   16.76828977833331     12.63444728822065     24.56295861340661
  H   18.53809141158261     13.07130384662374     22.38936657826106
  H   20.25731243947809     11.33046588747794     22.98445540413475
  H   21.95307336913597     11.79824393929838     24.77637806396865
  H   21.94242889377900     14.01006009716270     25.97129068577949
  H   20.20829919790267     15.75184296602086     25.37620738726807
  H   19.80635025571489     18.38574091243660     24.64833033826952
  H   21.16228280922930     18.41992554023977     26.78645816619541
  H   20.05657127247516     17.86721428235290     28.97378638924136
  H   17.60561826460145     17.31394431608240     29.03998747857953
  H   16.25910281169112     17.30824521338894     26.91536761335927
  H   15.53367978179237     20.14341896549192     24.75823164824197
  H   15.26488550006251     21.01268229421915     27.11443017596803
  H   13.98666559860210     19.66851388015457     28.80699808968972
  H   12.94073317534088     17.48044389906996     28.14629392220529
  H   13.19333427886237     16.63296111730207     25.77963045850255
  H   13.38706857473635     13.46244995094505     24.33224119612287
  H   11.27650808007336     13.34431376347057     25.70847506454967
  H   9.56227004281437     15.17431775279534     25.53482034463000
  H   9.93670255043993     17.10303787079530     23.96977786872301
  H   12.04834580857763     17.21166048279759     22.58889621518635
