98
MOLCAS
  Dy  16.20042645480072     16.31290402617228     22.96112428253875
  F   15.69162842890692     15.26810146819471     25.09230140342470
  F   16.26898617854176     13.95958312958000     22.39076901896710
  F   18.32791412499309     15.42347395484415     23.60724717828752
  F   17.26045459540406     17.80463507405736     24.51299811814665
  F   14.57780200617451     17.84261824044480     23.90457767778034
  F   13.97426029790061     15.43111250293879     22.67174803647673
  C   15.45721422845519     17.58653489506307     20.84969440423345
  C   16.04558293545546     16.35889120410477     20.38729483109700
  C   17.44610166139762     16.38760742629005     20.70991642508893
  C   17.72380699163134     17.63582120429395     21.36776815082483
  C   16.49589008808329     18.37784777417493     21.45272395120111
  C   14.04091449930291     18.02773156973983     20.60643968397410
  C   15.34365778677238     15.29999862624504     19.58411433475030
  C   18.47059103946739     15.36671743120822     20.30067838619804
  C   19.08637020179326     18.13048542316945     21.76703505792921
  C   16.34939181624832     19.78757034963659     21.95429526361614
  C   15.87128390507184     14.60612076713201     26.33266128290766
  C   17.16968688410047     14.29941659616320     26.72306465306088
  C   17.33058851517384     13.63679775365380     27.95348676376504
  C   16.21070839813549     13.31469189164463     28.74014753783773
  C   14.91812304294467     13.65147590166743     28.30086322814721
  C   14.73116955152254     14.31112065876292     27.07120631624557
  C   15.52767565806266     12.82497223216552     22.79881609291960
  C   14.50172405763806     12.39016389132505     21.96610017027149
  C   14.04639396105370     10.66223491618407     23.63154390644050
  C   15.10423694371670     11.13354151040059     24.42959142509159
  C   15.87335307290951     12.23626910531692     24.01120235130022
  C   19.31796150571652     14.44843990653898     23.88931662134132
  C   19.28545879255541     13.24888089112440     23.18579501720169
  C   20.27092741923093     12.29613090823331     23.50835439690467
  C   21.23073359295833     12.56761977073023     24.49900509082062
  C   21.22064842845669     13.79971818151215     25.17633498414879
  C   20.24800773474583     14.77113699424246     24.87304906664511
  C   18.00227006614323     17.82877747438086     25.71759327321638
  C   19.35119449738962     18.15729019996114     25.62431161391164
  C   20.08875365075913     18.17987426984351     26.82351363198964
  C   19.46341778378229     17.87845027658009     28.04730680869352
  C   18.09360384109132     17.56501436282906     28.08549082390030
  C   13.75241436140385     11.28202129484898     22.40311216158916
  C   17.33289782859584     17.54100486117482     26.90200618592844
  C   14.38164384583622     18.35208744474071     25.21033786895757
  C   14.94960329518779     19.58483836635636     25.51450962954091
  C   14.78501277159386     20.05813728039342     26.82926999679242
  C   14.07224123649624     19.29975426274361     27.77515806199077
  C   13.50305272162159     18.06635613342338     27.41158216720045
  C   13.65091659027842     17.57252696130197     26.10162604784401
  C   12.78539867591376     15.35321321774998     23.43355210910149
  C   12.63300409616440     14.25959236375759     24.28058879004750
  C   11.45247366461420     14.20671055894225     25.04700092295731
  C   10.48847688575919     15.22562331142526     24.94436527472500
  C   10.68820757111121     16.30374609160964     24.06342156153879
  C   11.85712324657142     16.37873828010639     23.28372941498328
  H   13.65195141301675     18.67317109312853     21.42284256944178
  H   13.35228748291862     17.16606284722009     20.48276703682695
  H   13.97868660807857     18.62551188325314     19.66775573473026
  H   14.29244875163872     15.14853826053364     19.91113404458915
  H   15.86874137764344     14.32333259911353     19.62980538480802
  H   15.30534151123664     15.59461345825011     18.50993586905553
  H   18.04447762823657     14.34322323175687     20.23849064146042
  H   19.34039327194811     15.33673938443135     20.99015674272510
  H   18.87083371080000     15.60952293623075     19.28907234065710
  H   19.71111732621850     17.33690795044661     22.23170823717393
  H   19.02340712860385     18.98476816704687     22.47245356813881
  H   19.64340894992347     18.49228583439448     20.87219471576852
  H   17.02584924346193     20.00439652020141     22.80861264112529
  H   15.30881581225153     20.01237385743953     22.26792893550868
  H   16.60651702839809     20.51285546926818     21.14812333292639
  H   18.03554431543649     14.56552337465980     26.10247609237120
  H   18.34549189856156     13.37645950450496     28.29336049882742
  H   16.34564336720162     12.79686837517768     29.70274823287162
  H   14.03930695433955     13.39908806355446     28.91550377985141
  H   13.73132654749375     14.57325510075494     26.69903367079237
  H   14.28865891813907     12.89774148843672     21.01448940950732
  H   12.93164606314499     10.90459602861434     21.77272589855579
  H   13.45319398393687      9.79550995596366     23.96306919678650
  H   15.34755527887830     10.63975775193236     25.38373019260404
  H   16.71789890900663     12.60983143886177     24.60791672997468
  H   18.53615132253435     13.06074164636132     22.40558613201668
  H   20.28508254354617     11.33526808104475     22.96958241661331
  H   21.99810495706556     11.81521828327294     24.73947344364860
  H   21.97821269893060     14.01839946284720     25.94573259865826
  H   20.21566664104208     15.74552613387296     25.38349467057088
  H   19.80891020503624     18.39123322670508     24.65208530262580
  H   21.15810769685618     18.44371166847106     26.79462321071043
  H   20.04720144988958     17.90255788417972     28.98092042641558
  H   17.59918691293393     17.34303875424215     29.04436390998231
  H   16.25605188931925     17.32110744361950     26.91404813847528
  H   15.50608152873255     20.15488035422077     24.75723276580051
  H   15.22054984670649     21.03010998841778     27.11014397621209
  H   13.94837294187869     19.68013572023798     28.80124033452451
  H   12.92756333827290     17.48146704610792     28.14660351457449
  H   13.19740113844147     16.62476343645282     25.78069343099550
  H   13.39679250445337     13.47107096223693     24.33659095184860
  H   11.28635365426850     13.34995664543986     25.71981897758141
  H   9.56691010364389     15.17224968154356     25.54505366184636
  H   9.92856152678189     17.09636702992596     23.97336067793022
  H   12.03723118951168     17.20936678649373     22.58678250738920
