AMS 2021.106 r99350 2021-12-03 2024-03-21T20:50:26.000 SINGLE POINT DFT PBE0 == Not Default == TZP TZP TZP TZP TZP TZP 4809.330810 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Restricted Restricted 0.00000 1.0E-08 1000 conjugate-gradient 78.39000 1.93000 1 3 4158.36671635 12260.64138040 Water Phosphorus TZP Tungsten TZP Oxygen TZP Nitrogen TZP Carbon TZP Hydrogen TZP DFT Restricted Restricted Point Charge Nuclei Frozen Orbital(s) Task SinglePoint System Atoms P -0.06098270048189 -0.50098960727898 -1.43291677123649 adf.R=1.850 W -0.30854590006699 2.35575455097 -3.59689368910162 adf.R=1.992 W 0.33526643355905 -3.18144779474514 0.93300747305854 adf.R=1.992 W 2.42456798397691 -1.95949006321881 -3.57342678841753 adf.R=1.992 W 3.10514361073115 -1.3270894230112 0.08383532339620001 adf.R=1.992 W -0.35676797520797 -3.83442294293071 -2.72071026544905 adf.R=1.992 W -3.32749268087095 0.33187757231101 -2.67050815146398 adf.R=1.992 W -3.01495390977207 -2.32231790804695 -0.50799784225286 adf.R=1.992 W -0.67405939939068 -1.1643445854648 -4.89958246577475 adf.R=1.992 W 2.76654988548702 1.56737500534123 -2.27200382151218 adf.R=1.992 O 0.47422268000068 0.90842557440208 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3.78830633035403 adf.R=1.517 O -0.5178061831999901 3.34117748474914 5.49201101835134 adf.R=1.517 O 1.50564166007794 -0.26605628290154 4.18755759912409 adf.R=1.517 O -1.42945762898909 6.16154131879123 -1.48679969298821 adf.R=1.517 O -0.49161939833857 -2.01365669588643 5.1925580342444 adf.R=1.517 O 1.70155690688311 5.11749076090208 5.22659034265688 adf.R=1.517 O 4.00947361713016 1.01160353002373 3.82222418946098 adf.R=1.517 O -2.84067135105607 2.08953216779159 6.59696157593132 adf.R=1.517 O -5.45208707572624 3.46353394123061 -0.2542265314002 adf.R=1.517 O -4.95950228241456 -0.8528787290133401 3.26873184504543 adf.R=1.517 O -3.32865792101762 6.43343497532893 3.05056403383573 adf.R=1.517 O 3.5706747947706 4.86727780034225 0.67266541192084 adf.R=1.517 N -8.06183411525137 -2.31004089590637 -1.42645287317406 adf.R=1.608 C -9.48177642363768 -2.77949895670435 -1.60962107511434 adf.R=1.700 C -7.60791547222706 -2.62825867763125 -0.02541700818479 adf.R=1.700 C -7.16853400782619 -3.00862261647176 -2.41932734279951 adf.R=1.700 C -7.99241796540053 -0.8222394686921 -1.65316675302924 adf.R=1.700 H -9.798497566446271 -2.53538575918778 -2.62740310985141 adf.R=1.350 H -10.11295967198371 -2.26667849164937 -0.87884900883763 adf.R=1.350 H -9.51215344566298 -3.86084801343199 -1.44918204044984 adf.R=1.350 H -6.56891974602869 -2.30518817758241 0.08694471772379 adf.R=1.350 H -7.6848765622245 -3.7084450993602 0.12612819072293 adf.R=1.350 H -8.25635072341638 -2.09799226835164 0.67728738759723 adf.R=1.350 H -7.54033534996515 -2.7976208046709 -3.42594003552193 adf.R=1.350 H -7.20238888778672 -4.0833081825425 -2.21984325501367 adf.R=1.350 H -6.14995112344139 -2.62482711310195 -2.30198775869189 adf.R=1.350 H -6.95462966308987 -0.50117658648358 -1.52463743390296 adf.R=1.350 H -8.64079352449933 -0.32848007455271 -0.92444826281322 adf.R=1.350 H -8.33182861822247 -0.61129028143373 -2.67098757908656 adf.R=1.350 C 5.11686625481844 4.36388636441396 8.28490485685265 adf.R=1.700 N 5.13155389100729 3.47294215841452 7.07012568239148 adf.R=1.608 H 6.03273696574026 4.96088232294716 8.288526467580789 adf.R=1.350 H 5.0687308220232 3.73282697906508 9.17658580163897 adf.R=1.350 H 4.23853004841564 5.01272497137471 8.22924178991487 adf.R=1.350 C 3.87875946062119 2.63626558039563 7.04361059498265 adf.R=1.700 C 5.19055153394053 4.31881383782087 5.82448398844304 adf.R=1.700 C 6.33774112978603 2.57203105258293 7.12373664748557 adf.R=1.700 H 3.89806865719034 2.01232273140802 6.14453584436897 adf.R=1.350 H 3.01657311999218 3.30901886174364 7.01820755316996 adf.R=1.350 H 3.85587728405524 2.01660370403818 7.94401551229538 adf.R=1.350 H 6.09201063575798 4.93588445064314 5.8653353528918 adf.R=1.350 H 4.29392808945685 4.9444667854018 5.78753308233022 adf.R=1.350 H 5.22320906365052 3.65200025380627 4.9580174383414 adf.R=1.350 H 6.33019722728187 1.92969232203531 6.23903949436324 adf.R=1.350 H 6.2801416986118 1.96878442284705 8.033772027275671 adf.R=1.350 H 7.23595702692561 3.19534509104991 7.13536345610351 adf.R=1.350 C -6.03106890767024 9.14719701587102 -1.20318257286204 adf.R=1.700 N -5.15969728922256 7.9900564599051 -0.78775633104926 adf.R=1.608 H -5.49150140443405 9.736692292709 -1.94968921783779 adf.R=1.350 H -6.24591756677603 9.75399571105539 -0.31906432079607 adf.R=1.350 H -6.95708200050074 8.74860598819393 -1.62711478195927 adf.R=1.350 C -5.88525865688313 7.16412249520589 0.24270003239315 adf.R=1.700 C -4.8512855112253 7.13827383630296 -1.99198862646409 adf.R=1.700 C -3.87555108423657 8.515969158512389 -0.19978472972018 adf.R=1.700 H -5.24897806798494 6.32202357480889 0.5302521384314 adf.R=1.350 H -6.81758596412792 6.80138468985409 -0.19855429063299 adf.R=1.350 H -6.09469983430452 7.7974069947267 1.10911052918189 adf.R=1.350 H -4.34023737718805 7.7588453742273 -2.73305729180133 adf.R=1.350 H -5.79256355727735 6.75765822165687 -2.39812791286009 adf.R=1.350 H -4.20403362354702 6.31344476414618 -1.6801383372991 adf.R=1.350 H -3.25003965836876 7.66683661182249 0.09135690597366999 adf.R=1.350 H -4.12017531604376 9.12958649443566 0.67159505921873 adf.R=1.350 H -3.36796513007281 9.117349744399011 -0.95891645833548 adf.R=1.350 C -3.06502153266985 -7.25154391677356 -0.8645505454483799 adf.R=1.700 N -2.40662100723207 -7.7715666123305 0.38685592346806 adf.R=1.608 H -2.70722352688204 -6.23539485462014 -1.05369429552074 adf.R=1.350 H -4.14782387334214 -7.25348552586807 -0.71236824492586 adf.R=1.350 H -2.79599617415273 -7.90854637991139 -1.69619661047393 adf.R=1.350 C -2.88581528135095 -9.17491583596618 0.65680785824165 adf.R=1.700 C -0.91062981440465 -7.78005739220194 0.20453626090884 adf.R=1.700 C -2.76709178866653 -6.88581216765533 1.55124246802313 adf.R=1.700 H -2.4030093097845 -9.536099105797 1.56883995295742 adf.R=1.350 H -2.61244294449726 -9.80348225698749 -0.19506987316359 adf.R=1.350 H -3.97168989519897 -9.15205662441563 0.78276949768161 adf.R=1.350 H -0.57315132555508 -6.75419011034295 0.0298217823464 adf.R=1.350 H -0.66921508378048 -8.41616143301793 -0.65148943634085 adf.R=1.350 H -0.45431745544268 -8.177707326491779 1.11541459509055 adf.R=1.350 H -2.28416318259337 -7.28033103261139 2.44953006988265 adf.R=1.350 H -3.85411149556264 -6.89306372651092 1.66876111122728 adf.R=1.350 H -2.41045499424249 -5.87287058328746 1.34315965469154 adf.R=1.350 C -3.4952211423613 -2.96882564375321 8.613264496529331 adf.R=1.700 N -3.46303054863365 -1.47104223836188 8.454301731966691 adf.R=1.608 H -2.87229687809684 -3.2404858048661 9.469928967459831 adf.R=1.350 H -3.10491934721839 -3.42314055328239 7.69831586138045 adf.R=1.350 H -4.53081494600996 -3.2774977296071 8.780579883609439 adf.R=1.350 C -4.32538885470411 -1.07027759748479 7.28577028218818 adf.R=1.700 C -2.04579205393669 -1.02007467733635 8.209274997943179 adf.R=1.700 C -3.9872817207611 -0.82274965879614 9.709401713604411 adf.R=1.700 H -4.25942877173524 0.01517103695765 7.1645120605928 adf.R=1.350 H -5.35483449168785 -1.37554888881828 7.49230173759656 adf.R=1.350 H -3.95201444071327 -1.57678185364388 6.39103849318801 adf.R=1.350 H -2.04258620962183 0.06984118850521 8.11561391712873 adf.R=1.350 H -1.68892501636141 -1.47706082014037 7.28044117399389 adf.R=1.350 H -1.43079472740828 -1.33660199829835 9.05608403560508 adf.R=1.350 H -3.34650391108901 -1.11737238812356 10.5450117061095 adf.R=1.350 H -5.012141892073 -1.16582983109875 9.87480650676468 adf.R=1.350 H -3.96467477051321 0.26216626923702 9.57477120423288 adf.R=1.350 C 9.147780523858939 0.0903132282328 -1.24680700124768 adf.R=1.700 N 7.85201327064873 0.70331371742433 -1.71057647106835 adf.R=1.608 H 9.720928681233829 0.853538615639 -0.71316354664225 adf.R=1.350 H 9.70007989258383 -0.25797234104195 -2.12379804392717 adf.R=1.350 H 8.917689084878131 -0.74754783704893 -0.58273815684442 adf.R=1.350 C 7.03804134186069 -0.33071749519039 -2.44375020126274 adf.R=1.700 C 8.14309993650045 1.85851463564119 -2.63340725995494 adf.R=1.700 C 7.0741350609307 1.19843949576545 -0.5189536561614499 adf.R=1.700 H 6.1105647396756 0.14152448881664 -2.7816162944604 adf.R=1.350 H 6.82205643531874 -1.15305775322365 -1.75560533182925 adf.R=1.350 H 7.61969589684951 -0.68831613892111 -3.2976429853643 adf.R=1.350 H 7.19104450699757 2.28948182103999 -2.95584965167658 adf.R=1.350 H 8.705346816459789 1.48258396899972 -3.49261237923497 adf.R=1.350 H 8.73311571767235 2.5984644976479 -2.08560532070052 adf.R=1.350 H 7.67438710303074 1.95170998659581 -0.00152383106923 adf.R=1.350 H 6.87279006772408 0.34897704570261 0.14026425836719 adf.R=1.350 H 6.13685630276516 1.63311321608873 -0.87920995651863 adf.R=1.350 End BondOrders 1 11 2.0 1 12 2.0 1 13 2.0 1 14 2.0 2 11 1.0 2 20 1.0 2 22 1.0 2 28 1.0 2 34 1.0 2 36 1.0 3 13 1.0 3 19 1.0 3 21 1.0 3 29 1.0 3 35 1.0 3 37 1.0 4 18 1.0 4 23 1.0 4 30 1.0 4 33 1.0 4 38 1.0 5 17 1.0 5 23 1.0 5 26 1.0 5 35 1.0 5 39 1.0 6 16 1.0 6 21 1.0 6 27 1.0 6 33 1.0 6 40 1.0 7 12 1.0 7 15 1.0 7 22 1.0 7 25 1.0 7 32 1.0 7 41 1.0 8 12 1.0 8 16 1.0 8 19 1.0 8 25 1.0 8 31 1.0 8 42 1.0 9 14 1.0 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A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A 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A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A 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S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 61 68 35 27 73 66 45 32 44 34 39 37 36 69 43 O O O O O O O O O O O O O O O -26.510 2.00 753 A 11.32 11.16 10.49 10.34 6.03 5.93 5.89 5.83 5.17 4.37 3.29 1.86 1.74 1.63 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 63 70 29 38 66 73 32 45 42 41 36 39 40 71 O O O O O O O O O O O O O O -26.330 2.00 754 A 7.13 6.91 6.86 6.83 6.51 6.49 4.20 4.08 3.81 3.79 3.78 3.69 3.59 3.57 3.55 3.51 3.48 3.46 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 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-27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 36 39 42 44 33 31 67 65 59 25 81 53 30 64 76 48 78 43 O O O O O O O O O O O O O O O O O O -26.231 2.00 757 A 7.62 7.41 7.25 6.92 6.89 4.23 3.98 3.95 3.63 3.45 3.18 3.08 3.00 3.00 2.92 2.67 2.44 2.27 1.82 1.62 1.51 1.32 1.18 1.03 1.02 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 37 72 69 54 43 64 30 62 28 31 60 82 74 65 26 46 75 27 66 52 61 45 32 68 80 O O O O O O O O O O O O O O O O O O O O O O O O O -26.229 2.00 758 A 10.21 10.19 5.13 5.09 4.97 4.79 3.61 2.96 2.74 2.59 2.54 2.54 2.39 2.34 2.31 2.29 2.26 2.14 1.96 1.81 1.68 1.65 1.46 1.39 1.22 1.20 1.09 1.07 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 71 40 25 59 67 33 77 75 51 72 43 49 37 79 63 29 69 52 60 26 65 31 47 80 78 70 38 50 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -26.220 2.00 759 A 7.72 7.45 7.29 7.11 7.10 7.00 6.93 6.91 6.80 6.53 6.25 6.10 1.32 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 32 35 29 61 38 73 27 45 63 70 68 66 54 O O O O O O O O O O O O O -26.203 2.00 760 A 32.09 6.92 6.45 6.17 5.60 5.59 5.02 4.73 3.67 3.59 1.79 1.35 1.14 1.03 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 54 82 74 51 46 47 52 75 77 49 79 80 30 28 O O O O O O O O O O O O O O -26.201 2.00 761 A 26.37 15.02 11.00 8.76 6.46 4.90 4.61 3.76 2.42 2.32 1.45 2 2 2 2 2 2 2 2 2 2 3 S S S S S S S S S S D:yz -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 75 54 77 82 79 80 74 51 46 52 13 O O O O O O O O O O W -26.190 2.00 762 A 27.52 13.49 12.21 9.13 8.28 5.19 3.46 2.67 1.51 1.06 2 2 2 2 2 2 2 2 3 2 S S S S S S S S D:xy S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 52 49 54 74 82 51 75 47 9 66 O O O O O O O O W O -26.186 2.00 763 A 20.91 20.70 13.76 7.85 5.83 3.41 3.24 2.57 2.28 1.98 1.25 2 2 2 2 2 2 2 2 2 2 3 S S S S S S S S S S D:yz -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 75 80 74 52 47 78 79 54 51 49 13 O O O O O O O O O O W -26.184 2.00 764 A 31.28 23.44 6.58 4.77 3.72 3.59 2.79 1.96 1.73 1.36 1.19 1.06 1.03 2 2 2 2 2 2 2 2 2 2 3 3 3 S S S S S S S S S S D:x2-y2 D:xy D:xz -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -4.382 -4.382 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 0.80 77 82 79 80 76 47 52 46 74 29 15 20 15 O O O O O O O O O O W W W -26.180 2.00 765 A 20.09 14.28 13.40 12.37 6.83 4.78 2.63 2.05 1.93 1.48 1.44 1.22 1.07 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 49 51 46 79 74 80 82 75 54 48 77 81 73 O O O O O O O O O O O O O -26.174 2.00 766 A 28.01 8.10 7.09 7.02 6.36 6.10 3.65 2.63 2.50 1.89 1.79 1.56 1.32 1.22 1.12 1.09 1.02 1.01 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 S S S S S S S S S S S S S D:yz S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 47 46 52 51 49 82 54 77 75 31 37 69 50 4 30 53 74 64 O O O O O O O O O O O O O W O O O O -26.173 2.00 767 A 20.90 13.40 10.59 8.17 7.02 4.72 4.65 2.91 1.99 1.85 1.73 1.47 1.25 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 78 51 79 76 50 48 49 80 81 60 74 82 53 O O O O O O O O O O O O O -26.171 2.00 768 A 10.97 10.73 10.05 9.50 7.37 6.48 5.14 3.97 3.66 3.56 2.53 2.24 1.65 1.62 1.49 1.20 1.11 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 78 80 76 46 74 52 79 50 75 48 71 40 49 59 51 62 72 O O O O O O O O O O O O O O O O O -26.168 2.00 769 A 16.38 14.53 14.13 8.28 7.46 4.98 3.54 3.36 3.27 2.70 2.51 1.55 1.19 1.02 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 81 76 53 77 48 78 75 74 49 79 47 50 51 72 O O O O O O O O O O O O O O -26.160 2.00 770 A 8.79 5.87 5.31 5.28 5.13 4.96 4.96 4.89 4.74 4.73 4.69 4.52 4.52 4.04 3.68 2.22 2.06 1.93 1.71 1.53 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 77 73 63 38 66 29 27 35 61 75 32 46 68 45 70 51 78 82 74 81 O O O O O O O O O O O O O O O O O O O O -26.159 2.00 771 A 17.27 16.06 6.51 4.69 3.94 3.42 3.30 3.02 2.58 2.15 2.06 1.99 1.96 1.87 1.85 1.76 1.74 1.66 1.58 1.52 1.47 1.10 1.05 1.03 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 74 82 77 78 81 70 46 75 47 52 45 35 61 32 66 63 29 49 50 27 68 38 73 72 O O O O O O O O O O O O O O O O O O O O O O O O -26.156 2.00 772 A 17.40 15.44 10.25 8.18 6.58 5.19 4.51 3.57 2.85 2.32 2.25 2.04 1.85 1.12 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 80 79 51 46 52 48 77 50 81 47 54 75 76 68 O O O O O O O O O O O O O O -26.153 2.00 773 A 22.28 9.45 6.78 6.20 5.70 5.13 4.64 4.62 3.84 3.57 2.12 1.81 1.15 1.07 2 2 2 2 2 2 2 2 2 2 2 2 3 2 S S S S S S S S S S S S D:yz S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 46 78 76 79 54 51 52 49 48 74 47 80 3 34 O O O O O O O O O O O O W O -26.150 2.00 774 A 22.38 19.24 8.36 7.94 5.24 4.59 3.94 2.50 1.96 1.36 1.29 1.24 1.03 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 47 49 51 52 50 53 76 80 81 46 75 79 43 O O O O O O O O O O O O O -26.148 2.00 775 A 22.15 20.67 9.48 8.77 4.16 3.97 2.80 2.02 1.58 1.56 1.37 1.34 1.19 1.01 2 2 2 2 2 2 2 2 2 2 2 2 3 2 S S S S S S S S S S S S D:x2-y2 S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 50 48 80 79 74 82 78 76 41 34 26 28 7 30 O O O O O O O O O O O O W O -26.146 2.00 776 A 25.19 10.84 10.27 9.24 6.87 4.87 1.85 1.73 1.69 1.61 1.59 1.55 1.52 1.34 1.24 1.21 1.18 1.06 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 S S S S S S S S D:z2 S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 53 48 76 50 78 81 77 42 10 36 47 44 49 39 75 25 33 31 O O O O O O O O W O O O O O O O O O -26.135 2.00 777 A 7.26 7.15 7.05 6.80 6.42 6.28 4.32 4.26 4.20 3.92 3.89 3.87 3.85 3.84 3.60 3.60 3.58 3.55 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 36 42 44 39 34 41 33 59 64 31 67 25 30 28 26 62 65 60 O O O O O O O O O O O O O O O O O O -26.132 2.00 778 A 45.79 18.32 13.57 1.92 1.32 1.29 1.26 1.07 2 2 2 3 2 2 2 2 S S S D:xy S S S S -27.198 -27.198 -27.198 -4.382 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 81 76 78 19 71 58 79 80 O O O W O O O O -26.126 2.00 779 A 34.19 24.98 21.62 1.94 1.38 1.20 1.07 1.07 1.02 2 2 2 3 2 2 2 3 2 S S S D:z2 S S S D:x2-y2 S -27.198 -27.198 -27.198 -4.382 -27.198 -27.198 -27.198 -4.382 -27.198 2.00 2.00 2.00 0.80 2.00 2.00 2.00 0.80 2.00 53 50 48 10 24 37 40 7 47 O O O W O O O W O -26.105 2.00 780 A 4.15 3.95 3.83 3.75 3.73 3.72 3.71 3.65 3.65 3.59 3.58 3.56 3.55 3.52 3.48 3.47 3.42 3.39 3.38 3.29 3.14 3.06 3.06 3.05 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 41 60 26 44 34 42 36 25 39 62 28 30 64 33 72 59 31 65 67 43 40 37 69 71 O O O O O O O O O O O O O O O O O O O O O O O O -26.014 2.00 781 A 8.23 8.05 8.03 7.74 7.62 7.50 7.47 7.43 3.35 2.94 2.82 2.55 2.40 2.35 2.24 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O O O O O O O O O O O O -21.139 2.00 783 A 20.35 16.14 12.97 10.46 8.19 7.32 4.64 4.59 4.43 1.92 1.69 1.50 2 2 1 1 1 1 1 1 1 1 2 1 S S P:y P:z S S S S S S S S -15.871 -15.871 -7.353 -7.353 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 92 90 83 83 124 117 123 118 122 116 89 115 C C N N H H H H H H C H -21.137 2.00 784 A 21.25 21.06 16.49 8.62 7.44 6.05 3.65 3.32 3.06 2.01 1.28 -1.22 2 1 2 1 1 1 1 1 1 1 1 2 S P:z S S S S S S S P:x S P:z -15.871 -7.353 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 -6.581 5.519 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 101 86 104 151 158 150 159 149 160 86 157 103 C N C H H H H H H N H C -21.129 2.00 785 A 26.95 11.99 9.35 9.21 8.47 7.86 4.87 4.70 3.91 3.06 2.32 1.24 1.20 2 1 1 1 1 2 1 1 2 1 1 1 1 S P:z P:x S S S S S S S P:y S S -15.871 -7.353 -7.353 -6.581 -6.581 -15.871 -6.581 -6.581 -15.871 -6.581 -7.353 -6.581 -6.581 2.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 98 85 85 142 141 99 140 143 100 148 85 144 145 C N N H H C H H C H N H H -21.129 2.00 786 A 17.93 14.22 12.43 9.05 7.02 6.22 5.74 5.68 3.32 3.05 2.72 2.25 2.04 1.67 1.57 1.27 2 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 S P:x S P:y S S S S S S S S S S S S -15.871 -7.353 -15.871 -7.353 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 2.00 1.00 2.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 103 86 104 86 156 157 159 101 150 160 102 155 158 153 149 152 C N C N H H H C H H C H H H H H -21.117 2.00 787 A 20.80 17.65 10.29 8.78 8.49 7.74 5.66 4.64 4.22 3.55 3.23 2 2 1 1 1 1 1 1 1 1 1 S S P:z P:y S S S P:x S S S -15.871 -15.871 -7.353 -7.353 -6.581 -6.581 -6.581 -7.353 -6.581 -6.581 -6.581 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 100 99 85 85 147 144 148 85 143 146 145 C C N N H H H N H H H -21.116 2.00 788 A 14.30 12.90 11.06 7.15 6.31 5.42 5.24 5.22 4.83 4.59 4.48 2.97 2.90 2.50 2.40 2.29 2.07 2 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 S S P:z P:y S S P:x S S S S S S S S S S -15.871 -15.871 -7.353 -7.353 -15.871 -6.581 -7.353 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 2.00 2.00 1.00 1.00 2.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 89 90 83 83 92 113 83 91 115 118 116 122 119 123 114 120 117 C C N N C H N C H H H H H H H H H -21.111 2.00 789 A 26.04 13.82 10.27 8.61 7.49 7.33 6.59 4.71 2.35 2.22 2.19 2.03 1.91 1.29 2 1 2 1 1 1 1 1 1 2 1 1 1 1 S P:y S S P:x S S S S S P:z S S P:x -15.871 -7.353 -15.871 -6.581 -7.353 -6.581 -6.581 -6.581 -6.581 -15.871 -7.353 -6.581 -6.581 12.103 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 0.00 102 86 103 154 86 152 153 155 156 101 86 149 157 154 C N C H N H H H H C N H H H -21.109 2.00 790 A 25.16 18.48 7.85 7.66 6.75 6.67 6.22 3.96 3.95 3.67 1.77 1.71 1.35 1.25 -1.12 -1.00 2 1 1 1 2 2 1 1 1 1 1 1 1 1 2 2 S P:z S S S S S S S P:y S S P:x P:y P:z P:z -15.871 -7.353 -6.581 -6.581 -15.871 -15.871 -6.581 -6.581 -6.581 -7.353 -6.581 -6.581 -7.353 12.103 5.519 5.519 2.00 1.00 1.00 1.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 106 87 166 164 108 105 165 170 161 87 171 163 87 164 107 105 C N H H C C H H H N H H N H C C -21.107 2.00 791 A 23.19 17.21 14.16 7.56 6.47 6.31 5.70 3.60 3.14 3.14 2.61 1.61 1.38 -1.02 2 1 2 1 1 1 1 1 1 1 1 1 2 2 S P:x S S S S S S P:y P:z S S S P:x -15.871 -7.353 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 -7.353 -6.581 -6.581 -15.871 5.519 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 0.00 110 88 109 176 177 173 178 174 88 88 175 181 111 112 C N C H H H H H N N H H C C -21.103 2.00 792 A 28.71 12.42 9.65 8.50 8.33 7.95 4.43 3.60 3.03 2.75 2.08 2.01 1.39 2 1 1 1 1 1 2 2 1 1 1 2 1 S P:y P:x S S S S S S S S S P:z -15.871 -7.353 -7.353 -6.581 -6.581 -6.581 -15.871 -15.871 -6.581 -6.581 -6.581 -15.871 -7.353 2.00 1.00 1.00 1.00 1.00 1.00 2.00 2.00 1.00 1.00 1.00 2.00 1.00 97 85 85 139 138 137 100 99 146 145 140 98 85 C N N H H H C C H H H C N -21.102 2.00 793 A 23.11 17.99 12.91 7.05 6.76 5.85 5.50 3.45 3.33 2.40 2.37 2.22 2.12 -1.15 1.09 -1.01 2 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 S P:x S S S S S P:y S S S S P:z P:x P:y P:x -15.871 -7.353 -15.871 -6.581 -6.581 -6.581 -6.581 -7.353 -6.581 -15.871 -6.581 -6.581 -7.353 5.519 12.103 5.519 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 0.00 0.00 0.00 91 83 89 120 121 114 119 83 113 92 115 123 83 92 120 90 C N C H H H H N H C H H N C H C -21.102 2.00 794 A 17.92 15.00 13.19 5.87 5.64 5.61 5.56 4.81 4.68 4.39 3.02 2.64 2.28 2.18 1.87 1.82 -1.03 -1.00 1 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 2 P:z S S S S P:x S S S S S S S S S S P:z P:z -7.353 -15.871 -15.871 -6.581 -15.871 -7.353 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 5.519 5.519 1.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 0.00 84 95 93 133 96 84 126 132 94 125 135 131 128 136 127 129 94 96 N C C H C N H H C H H H H H H H C C -21.096 2.00 795 A 26.36 9.32 8.55 7.83 7.52 6.89 6.67 6.34 5.16 3.97 3.66 1.50 1.27 2 1 1 1 1 2 1 1 2 1 1 1 1 S P:z S P:y S S S P:x S S S S S -15.871 -7.353 -6.581 -7.353 -6.581 -15.871 -6.581 -7.353 -15.871 -6.581 -6.581 -6.581 -6.581 2.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 112 88 182 88 184 109 183 88 110 174 178 175 177 C N H N H C H N C H H H H -21.095 2.00 796 A 20.78 18.79 17.87 7.93 7.29 5.31 4.85 4.38 4.32 3.99 -1.18 -1.16 2 1 2 1 1 1 1 1 1 1 2 2 S P:y S S S S S S P:z S P:y P:y -15.871 -7.353 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 -6.581 5.519 5.519 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 0.00 105 87 108 162 172 163 161 170 87 171 106 107 C N C H H H H H N H C C -21.094 2.00 797 A 23.37 14.22 10.65 8.96 8.33 6.38 6.37 5.56 3.79 3.42 2.85 1.74 1.28 2 2 1 1 1 1 1 1 1 1 1 1 2 S S P:x P:y S S S S P:z S S S S -15.871 -15.871 -7.353 -7.353 -6.581 -6.581 -6.581 -6.581 -7.353 -6.581 -6.581 -6.581 -15.871 2.00 2.00 1.00 1.00 1.00 1.00 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C C C C C C -17.757 2.00 802 A 10.50 6.16 6.07 6.00 5.94 4.41 4.36 4.35 4.32 4.31 4.25 4.20 4.14 4.09 3.26 3.25 3.03 3.00 2.87 2.74 1.37 1.29 1.23 1.21 1.09 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 S S S S S S S S S S S S S S P:y S S S P:z P:x P:z P:x P:x P:y P:z -21.259 -15.871 -15.871 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 5.519 5.519 5.519 2.00 2.00 2.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.00 0.00 0.00 83 89 91 90 92 117 124 119 120 118 123 115 113 114 92 122 121 116 90 89 91 91 89 92 90 N C C C C H H H H H H H H H C H H H C C C C C C C -17.756 2.00 803 A 10.49 6.17 6.01 5.99 5.98 4.37 4.34 4.33 4.33 4.30 4.28 4.16 4.12 4.11 3.18 3.15 3.05 2.51 1.99 1.82 1.60 1.16 1.14 1.03 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S S S S S S S S S S S S S S S S P:x P:z P:y P:z P:y P:y P:x -21.259 -15.871 -15.871 -15.871 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1.87 1.84 1.71 1.68 1.48 1.46 1.45 1.39 1.36 1.34 1.34 1.33 1.33 1.32 1.31 1.30 1.30 1.27 1.25 1.24 1.20 1.18 1.16 1.12 1.09 1.09 1.09 1.08 1.08 1.00 1.00 3 3 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 3 1 3 1 1 1 1 1 3 1 1 1 3 3 D:yz D:yz P:x P:x P:y P:z P:z P:z P:x D:yz P:x P:z P:y P:x P:x P:y P:z D:yz P:z D:yz P:z P:y P:z P:z P:x D:xz P:x P:y P:z D:yz D:x2-y2 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 15 11 63 29 28 62 33 34 66 17 32 41 27 38 70 61 31 6 36 20 42 30 64 39 73 9 45 67 44 18 3 W W O O O O O O O W O O O O O O O W O W O O O O O W O O O W W -14.923 2.00 810 A 4.62 3.87 3.76 3.63 3.58 2.87 2.67 2.38 2.25 2.24 2.14 2.14 2.07 2.01 2.00 2.00 1.99 1.79 1.69 1.61 1.55 1.36 1.30 1.29 1.27 1.23 1.11 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 3 1 3 P:z P:y P:z P:z P:z P:y P:x P:z P:y P:y P:z P:y P:x P:x P:z P:x P:z P:z P:x P:y P:x P:y D:yz P:z D:yz D:yz P:y D:yz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 41 28 62 34 42 41 26 60 34 42 33 60 72 25 26 43 59 36 71 67 40 59 17 25 18 11 36 9 O O O O O O O O O O O O O O O O O O O O O O W O W W O W -14.922 2.00 811 A 4.44 3.86 3.46 3.39 3.28 3.17 2.99 2.97 2.66 2.51 2.46 2.23 2.14 1.97 1.65 1.51 1.46 1.41 1.37 1.35 1.25 1.15 1.14 1.13 1.12 1.04 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 1 3 3 3 1 3 P:x P:x P:x P:y P:x P:x P:x P:y P:x P:x P:y P:z P:y P:z P:z P:y P:y P:z D:yz D:yz D:x2-y2 P:y D:xy D:xz D:xy 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0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 31 39 30 64 44 65 36 39 33 44 15 67 37 69 36 3 4 29 13 69 37 4 3 42 O O O O O O O O O O W O O O O W W O W O O W W O -14.812 2.00 813 A 3.17 2.88 2.60 2.52 2.39 2.38 2.34 2.24 2.14 2.01 1.94 1.91 1.57 1.49 1.28 1.15 1.14 1.07 1.04 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:y P:x P:y P:x P:x P:y P:y P:z P:z P:z P:y P:z P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 63 29 70 66 38 61 32 27 73 45 68 35 61 27 68 66 35 31 32 30 O O O O O O O O O O O O O O O O O O O O -14.796 2.00 814 A 21.80 6.89 6.07 5.54 4.94 4.85 4.16 4.01 3.58 3.43 3.32 3.29 2.83 2.69 2.63 2.54 2.26 1.29 1.24 1.10 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 P:z P:z P:y P:z P:y S S S S P:x P:z S S S S P:y S P:x S S -7.353 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -15.871 -6.581 -7.353 -6.581 -5.048 -15.871 -6.581 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 2.00 1.00 1.00 1.00 0.67 2.00 1.00 86 102 104 103 101 160 150 159 149 101 104 157 153 104 152 86 156 104 101 158 N C C C C H H H H C C H H C H N H C C H -14.793 2.00 815 A 22.88 9.28 7.21 5.80 5.12 5.04 4.37 3.75 3.65 3.20 3.10 2.78 2.29 2.22 1.93 1.25 1.18 1.15 1.06 1.06 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 P:x P:x P:z P:x S P:x S S S S S S S P:z S S S P:z P:y P:y -7.353 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -5.048 -6.581 -6.581 -15.871 -5.048 -7.353 -5.048 1.00 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 2.00 1.00 0.67 1.00 1.00 2.00 0.67 1.00 0.67 86 103 101 102 155 104 151 156 158 149 154 103 152 104 159 157 101 103 86 102 N C C C H C H H H H H C H C H H C C N C -14.788 2.00 816 A 15.27 8.94 8.09 6.20 4.54 4.22 4.14 4.13 3.79 3.60 3.27 2.91 2.83 2.78 2.56 2.31 2.28 2.22 1.46 1.39 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 P:z P:z P:y P:y S S S P:z S P:y S P:y S S S P:z S P:z P:x S P:x -7.353 -5.048 -7.353 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -15.871 -5.048 -6.581 -5.048 -5.048 -15.871 -5.048 1.00 0.67 1.00 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 2.00 0.67 1.00 0.67 0.67 2.00 0.67 83 90 83 92 116 118 123 89 122 91 120 89 113 115 90 91 119 92 90 92 91 N C N C H H H C H C H C H H C C H C C C C -14.787 2.00 817 A 19.05 7.52 6.34 6.28 4.49 4.25 4.25 4.01 3.77 3.38 3.25 2.82 2.81 2.61 2.51 2.38 2.08 1.42 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 P:z P:y P:y P:z P:z S S S S P:z P:x S S S S S P:x S -7.353 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -7.353 -6.581 -6.581 -6.581 -6.581 -15.871 -5.048 -15.871 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 2.00 0.67 2.00 85 98 99 97 100 145 144 140 141 99 85 137 148 147 138 99 100 98 N C C C C H H H H C N H H H H C C C -14.785 2.00 818 A 13.79 7.61 7.43 6.22 5.29 4.82 4.23 3.55 3.47 3.10 3.05 3.00 2.68 2.59 2.38 1.90 1.79 1.51 1.08 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 P:x P:y P:z P:x P:x S S P:x S P:z S S P:y S S P:x S S S P:x -7.353 -7.353 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -15.871 -7.353 -6.581 -6.581 -15.871 -5.048 1.00 1.00 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 2.00 1.00 1.00 1.00 2.00 0.67 85 85 98 100 99 146 142 97 143 100 139 147 97 140 100 83 137 144 98 89 N N C C C H H C H C H H C H C N H H C C -14.784 2.00 819 A 12.46 5.14 3.66 2.79 2.42 2.39 2.29 2.12 1.95 1.92 1.83 1.82 1.76 1.67 1.59 1.54 1.48 1.43 1.33 1.30 1.22 1.13 1.09 1.08 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x S P:y P:y P:z S P:x S S S P:z P:y S P:x S P:z S S P:y P:x P:y -7.353 -5.048 -5.048 -5.048 -6.581 -5.048 -7.353 -7.353 -6.581 -5.048 -6.581 -6.581 -15.871 -5.048 -5.048 -6.581 -7.353 -6.581 -9.955 -6.581 -6.581 -7.353 -5.048 -7.353 1.00 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 1.00 1.00 2.00 0.67 0.67 1.00 1.00 1.00 1.33 1.00 1.00 1.00 0.67 1.00 83 89 92 90 113 91 86 85 115 100 123 120 89 91 102 119 85 114 24 116 118 85 99 83 N C C C H C N N H C H H C C C H N H O H H N C N -14.783 2.00 820 A 8.80 6.69 4.05 3.77 3.73 3.53 2.84 2.73 2.71 2.66 2.33 2.21 2.13 1.89 1.76 1.72 1.71 1.67 1.65 1.63 1.59 1.56 1.54 1.54 1.51 1.42 1.35 1.35 1.32 1.32 1.32 1.13 1.12 1.12 1.08 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 P:y P:x P:y P:y P:z P:z S P:y P:y P:x P:x S S S S S S P:z P:z P:x S P:z S P:x S P:y S S S P:z P:y S S P:z P:y S -7.353 -7.353 -5.048 -7.353 -5.048 -7.353 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -15.871 -6.581 -6.581 -7.353 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 2.00 1.00 1.00 0.67 0.67 0.67 1.00 0.67 1.00 0.67 1.00 0.67 2.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 86 83 102 83 91 83 119 89 103 90 92 115 122 153 91 154 118 92 104 101 120 89 121 91 150 90 102 151 157 86 104 158 113 101 91 124 N N C N C N H C C C C H H H C H H C C C H C H C H C C H H N C H H C C H -14.782 2.00 821 A 9.44 8.23 4.95 4.21 3.79 3.71 3.70 3.63 3.35 3.27 2.84 2.81 2.19 2.12 1.88 1.82 1.44 1.42 1.31 1.28 1.27 1.18 1.18 1.06 1.06 1.04 1.01 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 P:y P:y P:z P:x S P:y S P:y S S P:y P:z P:z P:y S P:x S S S P:y S P:y S P:z P:z P:x S S P:z -7.353 -7.353 -7.353 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -15.871 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -15.871 -6.581 -5.048 1.00 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 0.67 1.00 1.00 2.00 0.67 1.00 0.67 1.00 0.67 0.67 0.67 2.00 1.00 0.67 86 83 83 91 121 90 124 102 117 114 103 92 104 92 154 89 151 158 102 101 153 89 152 89 91 101 91 155 101 N N N C H C H C H H C C C C H C H H C C H C H C C C C H C -14.774 2.00 822 A 13.86 7.09 6.55 5.73 5.62 4.52 4.16 3.89 3.45 3.21 2.96 2.96 2.70 2.54 2.42 2.30 1.89 1.56 1.54 1.53 1.44 1.06 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:y P:x P:z P:x S S P:z S S S S S S S P:y S S S P:x -7.353 -5.048 -5.048 -5.048 -7.353 -5.048 -5.048 -6.581 -6.581 -7.353 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 1.00 0.67 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 0.67 85 100 98 97 85 99 97 138 139 85 97 141 148 142 137 143 145 99 146 147 144 99 N C C C N C C H H N C H H H H H H C H H H C -14.768 2.00 823 A 10.07 8.58 7.24 6.88 5.66 5.15 4.35 4.33 4.18 3.97 3.15 3.02 2.78 2.60 2.51 2.25 2.11 2.07 1.97 1.47 1.29 1.08 1.08 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 P:x P:z P:y P:z S S S P:y P:y S P:x P:z P:x S S P:z S P:x P:y S S S S P:z -7.353 -5.048 -7.353 -7.353 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -15.871 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -15.871 -6.581 -5.048 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 2.00 1.00 0.67 1.00 0.67 0.67 1.00 1.00 2.00 1.00 0.67 87 106 87 87 166 163 167 107 105 170 105 107 108 106 165 108 162 106 108 172 164 105 169 105 N C N N H H H C C H C C C C H C H C C H H C H C -14.767 2.00 824 A 14.16 6.85 6.31 5.76 5.06 4.20 3.57 3.15 3.12 2.91 2.80 2.53 2.49 2.44 2.28 1.69 1.48 1.21 1.14 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 P:x P:y P:x P:x P:z S S S P:x P:z S P:y S S S S S S P:y -7.353 -5.048 -5.048 -5.048 -7.353 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -7.353 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 2.00 1.00 1.00 1.00 1.00 1.00 88 110 109 111 88 174 177 181 112 112 175 109 184 109 178 182 173 179 87 N C C C N H H H C C H C H C H H H H N -14.766 2.00 825 A 3.90 3.50 2.08 2.07 2.02 1.94 1.66 1.64 1.56 1.39 1.37 1.33 1.32 1.32 1.31 1.29 1.28 1.27 1.25 1.21 1.13 1.07 1.05 1.04 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:z P:z P:x P:x P:y S P:y P:y S P:y P:y S P:z S P:x S P:y S P:y S P:y P:z P:x -7.353 -9.955 -9.955 -9.955 -7.353 -5.048 -7.353 -5.048 -6.581 -7.353 -9.955 -6.581 -7.353 -9.955 -6.581 -9.955 -6.581 -9.955 -6.581 -7.353 -6.581 -5.048 -6.581 -5.048 -5.048 -7.353 1.00 1.33 1.33 1.33 1.00 0.67 1.00 0.67 1.00 1.00 1.33 1.00 1.00 1.33 1.00 1.33 1.00 1.33 1.00 1.00 1.00 0.67 1.00 0.67 0.67 1.00 88 58 58 24 84 112 84 110 177 87 55 184 85 24 174 57 125 56 135 84 181 95 132 109 93 87 N O O O N C N C H N O H N O H O H O H N H C H C C N -14.763 2.00 826 A 14.80 7.46 6.09 5.93 5.53 5.18 5.10 5.02 4.99 3.70 3.22 1.76 1.56 1.46 1.40 1.38 1.38 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 P:y P:x S P:z S S P:z P:z S P:z P:x S P:y P:x S S S -7.353 -5.048 -6.581 -7.353 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -15.871 -5.048 -5.048 -15.871 -6.581 -6.581 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 2.00 0.67 0.67 2.00 1.00 1.00 88 110 183 88 176 173 112 111 180 109 112 112 109 109 110 177 184 N C H N H H C C H C C C C C C H H -14.757 2.00 827 A 16.37 6.76 5.72 5.24 5.19 5.07 4.92 4.75 4.39 4.04 2.31 2.17 2.04 1.96 1.86 1.77 1.47 1.44 1.41 1.29 1.19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 P:y P:x P:z P:y S P:z S S S P:x P:y S P:y S S S P:y P:x P:x S P:x -7.353 -5.048 -5.048 -7.353 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -15.871 -7.353 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 2.00 1.00 84 96 93 87 136 95 126 133 129 94 106 161 105 171 168 164 94 107 108 96 87 N C C N H C H H H C C H C H H H C C C C N -14.755 2.00 828 A 10.35 6.15 4.72 4.56 4.45 3.16 2.91 2.74 2.60 2.58 2.40 2.34 2.25 2.22 2.09 2.08 1.92 1.87 1.85 1.80 1.75 1.72 1.69 1.51 1.48 1.42 1.41 1.35 1.26 1.15 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:z P:y P:y P:z P:z P:y S S P:y S P:y S S S S S S S P:x P:x P:x P:x P:x S S S S S P:z -7.353 -7.353 -5.048 -7.353 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -7.353 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 1.00 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 2.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.00 84 87 95 84 93 94 96 106 132 161 105 171 95 168 133 164 95 125 128 131 107 94 108 87 96 129 136 135 127 134 87 N N C N C C C C H H C H C H H H C H H H C C C N C H H H H H N -14.752 2.00 829 A 9.69 9.06 6.03 5.98 5.34 5.27 3.89 3.53 2.94 2.87 2.77 2.63 2.62 2.50 2.36 2.23 1.86 1.41 1.38 1.27 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 P:z P:x S S S S P:y P:y P:x P:x P:x P:z P:y P:z P:z P:y P:y S S P:y S -7.353 -7.353 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -7.353 -15.871 -15.871 -7.353 -6.581 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 2.00 2.00 1.00 1.00 84 84 127 130 131 134 96 95 94 95 93 96 93 94 93 94 84 94 93 87 129 N N H H H H C C C C C C C C C C N C C N H -14.750 2.00 830 A 11.35 9.47 5.91 5.51 5.30 5.19 4.75 4.36 4.21 3.58 2.95 2.71 2.34 2.28 2.25 1.72 1.68 1.16 1.13 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 P:z P:x P:x P:x S S P:y S S P:z P:z P:x S P:x S S S P:z S P:y S -7.353 -7.353 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -7.353 -6.581 -15.871 -15.871 -5.048 -6.581 -5.048 -6.581 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 2.00 2.00 0.67 1.00 0.67 1.00 87 87 107 106 172 169 108 165 162 108 105 105 167 84 170 108 107 107 163 107 166 N N C C H H C H H C C C H N H C C C H C H -14.750 2.00 831 A 8.25 3.53 2.82 2.73 2.51 2.44 2.44 2.43 2.40 2.28 2.09 2.06 1.71 1.69 1.63 1.62 1.56 1.40 1.23 1.15 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:y P:y P:z P:y S S P:x P:x S S P:z P:z P:y P:z P:y P:y P:z S P:x -7.353 -7.353 -5.048 -7.353 -9.955 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -7.353 -9.955 -5.048 -5.048 -6.581 -5.048 1.00 1.00 0.67 1.00 1.33 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.33 0.67 0.67 1.00 0.67 84 87 96 88 24 94 128 135 93 95 132 125 110 108 112 88 24 111 105 179 94 N N C N O C H H C C H H C C C N O C C H C -14.748 2.00 832 A 7.94 6.77 5.97 5.81 5.28 4.91 4.61 4.49 4.02 3.70 2.91 1.97 1.92 1.91 1.81 1.58 1.47 1.45 1.25 1.04 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 P:z P:x P:y P:z P:y S S P:y S S P:z S P:y S P:z S P:x P:z P:z S -7.353 -7.353 -5.048 -5.048 -5.048 -6.581 -6.581 -7.353 -6.581 -6.581 -5.048 -15.871 -5.048 -6.581 -5.048 -6.581 -7.353 -5.048 -9.955 -15.871 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 2.00 0.67 1.00 0.67 1.00 1.00 0.67 1.33 2.00 88 88 111 110 112 179 182 88 178 175 109 111 109 181 111 184 84 112 24 112 N N C C C H H N H H C C C H C H N C O C -14.692 2.00 833 A 8.93 7.38 5.69 4.60 3.82 3.80 3.00 2.55 2.02 2.01 1.97 1.74 1.43 1.21 1.16 1.10 1.03 1.01 1 1 1 1 1 1 1 1 3 1 1 3 2 3 1 3 2 1 P:z P:z P:y P:y P:y P:x P:z P:x P:z P:z P:y P:z P:z P:y P:x P:y P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 2.910 -9.955 -9.955 2.910 -5.658 2.910 -9.955 2.910 -5.658 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 0.00 1.00 0.00 1.33 0.00 1.00 1.33 58 24 58 24 55 56 57 22 2 21 23 1 2 2 23 1 1 71 O O O O O O O O P O O P P P O P P O -14.576 2.00 834 A 6.21 5.27 4.54 3.81 3.43 3.25 2.83 2.64 2.45 2.28 2.22 2.15 2.15 2.11 2.09 2.04 1.99 1.99 1.88 1.86 1.72 1.52 1.46 1.45 1.43 1.43 1.26 1 1 1 1 1 1 1 1 1 1 1 3 1 3 1 1 1 1 1 3 3 3 1 1 1 3 3 P:z P:z P:z P:y P:z P:y P:y P:y P:z P:x P:z D:yz P:y D:yz P:z P:z P:y P:x P:z D:yz D:yz D:yz P:z P:y P:y D:yz D:yz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 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7.25 5.39 3.34 2.61 2.54 2.26 2.17 1.84 1.73 1.73 1.57 1.52 1.44 1.43 1.15 1.10 1 1 1 1 1 2 1 2 1 1 1 1 3 1 1 3 1 1 P:x P:x P:y P:z P:y P:x P:x P:x P:x P:z P:x P:x P:x P:y P:z P:x P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -5.658 -9.955 -5.658 -9.955 -9.955 -9.955 -9.955 2.910 -9.955 -9.955 2.910 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.33 0.00 1.33 1.33 0.00 1.33 1.33 22 56 21 55 55 2 58 1 24 56 57 23 2 57 21 1 23 68 O O O O O P O P O O O O P O O P O O -14.273 2.00 840 A 6.42 5.33 4.69 4.19 4.07 3.36 2.99 1.89 1.77 1.63 1.56 1.45 1.42 1.41 1.40 1.34 1.33 1.25 1.20 1.20 1.18 1.14 1.14 1.08 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 2 2 3 P:z P:y P:x P:x P:x P:x P:y P:y P:y P:y P:z P:x P:z P:x P:y P:y P:z P:y P:z P:z P:y P:z S S D:x2-y2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -5.658 -5.658 -5.658 -5.658 -9.955 -9.955 -9.955 -27.198 -27.198 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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1 1 1 1 1 1 1 1 3 3 1 1 3 1 P:x P:x P:z P:y P:x P:y P:z P:z P:x P:x P:x P:x P:z P:y P:x P:z D:xy D:xy P:z P:z D:xy P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 40 71 33 67 25 59 25 59 43 72 29 63 60 28 26 62 14 19 71 40 16 59 O O O O O O O O O O O O O O O O W W O O W O -14.054 2.00 844 A 7.05 6.95 4.81 4.54 3.91 3.79 3.17 3.01 2.62 2.58 1.35 1.30 1.24 1.10 1.10 1.04 1.01 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 P:y P:y P:z P:z P:y P:y P:x P:x P:z P:z P:x P:x D:xz P:z P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 61 27 27 61 35 68 29 63 68 35 66 38 9 29 73 70 32 O O O O O O O O O O O O W O O O O -14.050 2.00 845 A 7.24 7.12 6.27 5.94 4.47 4.36 4.06 3.99 2.92 2.79 1.58 1.57 1.42 1.31 1.21 1.11 1.06 1.05 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 3 1 1 P:x P:x P:x P:x P:x P:x P:x P:x P:y P:y D:x2-y2 D:x2-y2 P:y P:z P:x D:x2-y2 P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 32 29 66 63 45 38 73 70 66 32 3 4 45 63 22 13 56 73 O O O O O O O O O O W W O O O W O O -13.970 2.00 846 A 8.03 7.63 5.23 5.19 5.19 4.78 4.53 4.15 3.44 3.30 2.46 2.04 1.23 1.11 1.07 1.06 1.02 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 1 1 P:y P:y P:z P:y P:z P:y P:x P:x P:z P:z P:x P:x D:xy P:z D:xz P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 61 27 27 68 61 35 63 29 35 68 70 38 18 38 9 29 66 O O O O O O O O O O O O W O W O O -13.966 2.00 847 A 8.04 7.63 6.84 6.16 5.57 5.31 4.87 4.54 3.66 3.22 2.11 1.73 1.56 1.39 1.24 1.20 1.07 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 3 3 P:x P:x P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y D:x2-y2 P:z D:x2-y2 D:x2-y2 D:xy -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 66 32 63 29 73 45 70 38 66 32 73 45 4 63 13 3 12 O O O O O O O O O O O O W O W W W -13.624 2.00 848 A 2.05 2.05 2.01 1.89 1.87 1.72 1.71 1.71 1.71 1.58 1.51 1.49 1.44 1.42 1.40 1.31 1.29 1.27 1.26 1.25 1.25 1.17 1.17 1.16 1.13 1.12 1.10 1.10 1.09 1.06 1.03 1.03 1.03 1.02 1.01 1.00 1 1 1 1 1 1 1 3 1 1 3 1 1 1 1 3 1 3 1 3 1 1 1 1 3 1 1 1 1 1 1 3 1 3 1 1 P:x P:x P:x P:x P:x P:x P:z D:xz P:z P:y D:z2 P:z P:z P:z P:z D:z2 P:y D:z2 P:y D:xy P:y P:y P:z P:y D:xz P:y P:z P:y P:z P:z P:x D:x2-y2 P:y D:z2 P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 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26 10 7 O O O O O O O O O O O O O W O O W W O W O O W W -13.293 2.00 852 A 5.13 4.64 4.29 4.09 3.88 3.74 2.52 2.20 1.61 1.60 1.59 1.56 1.40 1.32 1.27 1.13 1.12 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 1 1 P:z P:z P:y P:y P:x P:x P:x P:x P:z P:x P:z P:x P:z D:z2 D:yz D:z2 P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 31 64 30 65 58 24 26 25 67 60 28 59 62 16 14 10 62 60 O O O O O O O O O O O O O W W W O O -13.277 2.00 853 A 4.43 4.42 4.13 3.63 3.54 3.22 3.13 2.86 2.84 2.45 2.31 2.01 2.00 1.77 1.39 1.30 1.28 1.17 1.15 1.15 1.12 1.08 1.08 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 P:z P:z P:z P:y P:z P:y P:y P:y P:z P:z P:z P:z P:y P:y P:z P:x P:y P:x D:xy P:z P:z P:y P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 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1.61 1.61 1.54 1.48 1.36 1.35 1.30 1.23 1.22 1.19 1.18 1.16 1.15 1.15 1.13 1.07 1.06 1.04 1.04 1.02 1 1 1 1 1 1 1 1 3 3 1 1 1 3 3 1 3 1 3 1 1 1 1 1 3 1 1 1 1 1 1 P:z P:y P:y P:z P:x P:x P:z P:x D:x2-y2 D:xz P:x P:x P:y D:xz D:xy P:y D:z2 P:x D:x2-y2 P:z P:z P:y P:x P:z D:xy P:z P:x P:y P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 66 25 32 45 67 30 59 44 15 4 33 39 73 12 3 65 17 24 8 72 32 42 58 24 7 58 64 36 31 58 24 O O O O O O O O W W O O O W W O W O W O O O O O W O O O O O O -13.091 2.00 857 A 5.29 4.49 4.01 3.75 3.15 2.69 2.34 2.32 2.16 2.16 2.15 1.49 1.44 1.40 1.36 1.34 1.24 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 P:z P:y P:z P:y P:z P:y P:y P:x 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P:y P:x D:xy P:x P:y D:xz P:y P:y P:x D:xz D:xy P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 27 57 23 55 21 63 11 6 54 49 82 66 77 61 61 32 20 29 34 18 23 29 41 15 9 27 O O O O O O W W O O O O O O O O W O O W O O O W W O -12.886 2.00 861 A 3.97 3.85 3.57 3.48 2.90 2.57 2.51 2.21 2.19 1.93 1.86 1.76 1.75 1.75 1.71 1.65 1.62 1.61 1.54 1.48 1.48 1.46 1.36 1.17 1.12 1.12 1.11 1.03 1.02 1 1 1 1 1 3 1 1 1 1 3 3 1 1 1 1 1 3 3 3 3 1 1 1 1 1 1 1 1 P:z P:y P:y P:y P:z D:x2-y2 P:y P:z P:x P:z D:z2 D:xz P:z P:x P:y P:y P:z D:z2 D:x2-y2 D:x2-y2 D:xy P:y P:x P:z P:y P:y P:y P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 32 66 22 29 63 12 56 56 42 22 3 8 55 21 44 57 23 13 4 17 9 21 41 74 75 39 46 27 61 O O O O O W O O O O W W O O O O O W W W W O O O O O O O O -12.857 2.00 862 A 2.15 2.07 1.99 1.91 1.91 1.80 1.71 1.65 1.64 1.62 1.60 1.55 1.51 1.49 1.48 1.46 1.36 1.19 1.12 1.08 1.02 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 1 P:x P:y P:x P:x P:x P:z P:z P:y P:z P:x P:z P:x P:z P:x P:x P:x P:x P:y P:x D:xy P:x D:z2 P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 60 62 23 57 55 67 65 33 28 21 34 26 41 56 61 27 22 63 72 18 43 11 27 O O O O O O O O O O O O O O O O O O O W O W O -12.852 2.00 863 A 2.09 1.85 1.78 1.63 1.58 1.55 1.40 1.36 1.33 1.30 1.22 1.22 1.22 1.22 1.19 1.12 1.11 1.10 1.08 1.05 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 P:y P:x P:z P:z P:z P:x P:y P:z P:z P:y D:x2-y2 P:x P:z P:x P:z P:y P:y P:z P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 64 59 66 39 44 25 32 36 30 69 8 71 56 40 73 56 39 55 63 42 O O O O O O O O O O W O O O O O O O O O -12.769 2.00 864 A 2.08 1.62 1.56 1.56 1.36 1.35 1.32 1.30 1.26 1.19 1.17 1.10 1.07 1.04 1.02 1.02 1.01 1.00 1 3 1 3 1 3 1 3 1 1 1 1 1 3 1 1 3 1 P:x D:x2-y2 P:y D:x2-y2 P:x D:xz P:y D:xy P:x P:z P:x P:x P:x D:yz P:y P:y D:xy P:y -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 27 9 64 17 67 6 43 11 26 66 71 74 25 12 26 79 15 54 O W O W O W O W O O O O O W O O W O -12.757 2.00 865 A 3.62 3.21 2.93 2.89 2.81 2.73 2.69 2.63 2.62 2.48 2.21 1.93 1.81 1.73 1.64 1.56 1.55 1.50 1.29 1.24 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 3 1 1 P:x P:z P:y P:z P:x P:y P:z P:z P:x D:x2-y2 P:x P:y P:z P:y P:y P:y P:y D:xz P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 43 37 69 34 72 71 41 40 58 19 24 34 44 24 41 58 72 10 81 59 O O O O O O O O O W O O O O O O O W O O -12.749 2.00 866 A 3.71 3.55 2.97 2.85 2.24 2.07 2.02 2.01 1.75 1.66 1.62 1.62 1.53 1.43 1.40 1.36 1.33 1.31 1.31 1.30 1.30 1.29 1.24 1.24 1.23 1.23 1.21 1.13 1.09 1 1 1 1 1 1 1 3 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 P:x P:y P:z P:z P:x P:y P:z D:z2 P:x D:z2 P:y P:x P:y P:y P:z P:y P:y P:y P:z P:y P:z P:y P:x P:x P:y D:xy D:x2-y2 P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 40 37 72 69 71 39 36 14 58 16 58 24 36 24 71 32 43 31 42 62 39 42 78 33 44 7 8 61 60 O O O O O O O W O W O O O O O O O O O O O O O O O W W O O -12.733 2.00 867 A 2.78 2.54 2.22 2.06 1.90 1.75 1.68 1.48 1.40 1.33 1.30 1.29 1.27 1.25 1.20 1.13 1.12 1.04 1 1 3 1 3 1 1 1 1 1 1 1 3 1 3 1 1 3 P:x P:y D:xy P:x D:xy P:z P:y P:x P:z P:x P:z P:y D:yz P:y D:xz P:x P:z D:xz -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 27 29 4 35 6 32 45 47 38 46 52 51 9 49 11 45 54 3 O O W O W O O O O O O O W O W O O W -12.695 2.00 868 A 4.18 3.20 3.00 2.53 2.13 1.93 1.87 1.74 1.73 1.55 1.53 1.46 1.45 1.43 1.27 1.19 1.07 1.04 1.03 1.03 1.02 1 1 1 1 1 1 3 3 3 1 3 1 1 3 1 1 3 3 3 3 3 P:x P:x P:y P:z P:y P:x D:x2-y2 D:x2-y2 D:x2-y2 P:z D:x2-y2 P:y P:x D:xz P:x P:x D:z2 D:xy D:xy D:xy D:xz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 61 68 70 73 66 74 17 20 12 63 18 63 75 15 66 82 15 15 20 13 13 O O O O O O W W W O W O O W O O W W W W W -12.649 2.00 869 A 10.57 8.44 7.48 7.48 5.31 5.29 5.27 4.63 3.63 3.53 2.71 1.81 1.61 1.50 1.49 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:z P:z S S S S P:y P:x P:x S S S S S S -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 104 101 103 102 149 159 156 152 103 101 102 150 160 157 153 151 155 C C C C H H H H C C C H H H H H H -12.645 2.00 870 A 11.47 9.31 7.63 6.31 5.02 5.00 4.78 4.32 4.07 3.88 3.43 3.30 2.79 2.76 2.74 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:z S S S S P:y P:z S S S P:z S P:z -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 90 92 91 89 116 123 120 113 89 91 118 122 115 92 119 90 C C C C H H H H C C H H H C H C -12.641 2.00 871 A 8.13 5.76 4.80 3.89 3.88 3.81 3.59 3.42 3.39 3.05 2.88 2.42 2.22 1.55 1.43 1.41 1.40 1.40 1.35 1.34 1.27 1.26 1.16 1.15 1.15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z S S S P:z S P:x P:y P:y P:x P:x P:y S S S S S P:y S S P:z S P:y -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 99 98 100 144 147 140 97 137 97 103 98 102 100 101 155 141 158 151 145 100 154 148 104 138 104 C C C H H H C H C C C C C C H H H H H C H H C H C -12.635 2.00 872 A 3.73 3.28 3.07 2.98 2.95 2.91 2.55 2.46 2.15 2.06 2.05 2.03 1.93 1.93 1.90 1.88 1.85 1.75 1.73 1.73 1.69 1.67 1.61 1.30 1.30 1.25 1.21 1.19 1.12 1.11 1.03 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:z P:x P:z P:x P:y P:z P:y S S S P:z S S S S P:x P:x P:z S S P:z S S S S S S P:y -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.00 0.67 103 104 101 102 94 95 96 93 100 104 98 155 158 151 103 150 157 154 153 99 97 101 160 130 102 131 134 127 142 146 143 99 C C C C C C C C C C C H H H C H H H H C C C H H C H H H H H H C -12.630 2.00 873 A 3.34 2.61 2.57 2.30 2.29 2.25 2.22 2.10 1.83 1.82 1.81 1.71 1.70 1.65 1.64 1.60 1.37 1.36 1.32 1.28 1.26 1.24 1.24 1.24 1.20 1.19 1.17 1.17 1.17 1.08 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:z P:y P:z P:y P:z P:y P:z P:x S P:x S S P:x S P:x P:y P:z S S S P:z S S P:z P:x S S S P:y -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 100 98 92 90 107 99 105 108 89 97 142 106 143 146 91 139 95 97 94 165 162 121 98 169 124 96 93 172 117 114 91 C C C C C C C C C C H C H H C H C C C H H H C H H C C H H H C -12.620 2.00 874 A 2.48 2.43 2.34 2.08 1.86 1.82 1.69 1.67 1.59 1.57 1.48 1.48 1.47 1.46 1.43 1.43 1.39 1.36 1.31 1.29 1.29 1.24 1.23 1.23 1.20 1.20 1.19 1.19 1.17 1.16 1.15 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:z P:y P:y P:x P:y P:z P:z P:y P:z S S S P:x P:z S S P:z S P:z P:x S S S P:x S P:z S P:z S -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 104 103 102 101 97 89 99 92 90 98 100 100 104 154 151 158 95 94 150 160 103 157 96 91 153 141 148 93 138 101 155 91 145 C C C C C C C C C C C C C H H H C C H H C H C C H H H C H C H C H -12.614 2.00 875 A 3.98 3.30 2.93 2.69 2.50 2.35 2.26 2.25 2.13 2.02 1.96 1.90 1.89 1.85 1.79 1.72 1.70 1.66 1.56 1.53 1.52 1.40 1.38 1.35 1.30 1.27 1.25 1.15 1.14 1.12 1.11 1.10 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:x P:y P:y P:z P:x P:z P:x P:y P:z S S S S P:z P:z P:z S S S P:z S S S S S P:y S P:y S S S -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 90 92 91 99 100 97 111 98 112 89 110 124 114 117 121 89 100 109 141 148 138 99 142 145 143 139 146 97 182 98 179 178 175 C C C C C C C C C C C H H H H C C C H H H C H H H H H C H C H H H -12.602 2.00 876 A 3.54 3.45 3.22 2.85 2.62 2.40 2.26 2.23 2.23 2.17 2.16 1.74 1.71 1.67 1.67 1.65 1.45 1.42 1.41 1.36 1.33 1.31 1.27 1.24 1.22 1.22 1.21 1.12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:y P:x P:x P:z P:y P:x P:z S P:z S S S P:x S S P:x P:z S P:x S S S S S -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 107 105 109 110 106 112 95 94 108 93 96 177 111 174 184 181 111 164 171 108 112 161 106 162 172 165 168 169 C C C C C C C C C C C H C H H H C H H C C H C H H H H H -12.596 2.00 877 A 8.47 6.59 5.87 5.37 4.86 4.76 4.70 4.69 4.39 4.15 3.59 2.57 2.32 2.32 2.29 2.25 1.35 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:z S S S S P:y P:x P:z P:z S S S S P:z -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 112 109 110 111 183 173 176 180 111 110 109 112 174 177 181 184 110 C C C C H H H H C C C C H H H H C -12.590 2.00 878 A 12.67 11.40 8.65 6.58 5.78 5.44 5.38 5.25 4.00 2.82 2.73 2.65 2.31 2.30 2.24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:x P:y S S S S P:z S S P:z S P:x S -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 105 107 108 106 163 170 166 167 106 161 171 108 164 106 168 C C C C H H H H C H H C H C H -12.580 2.00 879 A 8.31 8.21 7.63 7.53 5.68 5.67 5.34 5.18 4.33 3.99 3.78 3.65 2.65 2.64 2.25 2.13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y S S S S P:x P:z P:x P:z S S S S -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 94 95 96 93 136 126 133 129 96 93 94 95 135 125 132 128 C C C C H H H H C C C C H H H H -12.567 2.00 880 A 4.40 2.64 2.62 2.56 2.21 2.11 2.03 2.01 1.99 1.86 1.78 1.59 1.56 1.54 1.50 1.45 1.43 1.40 1.35 1.25 1.23 1.21 1.21 1.19 1.14 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z P:y S P:z S S P:z S P:x P:x P:z S P:x P:z P:x P:x P:y P:y S P:z P:x S P:y P:y S -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -9.955 -6.581 -9.955 -5.048 -6.581 0.67 0.67 0.67 0.67 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 1.33 1.00 1.33 0.67 1.00 111 112 110 90 179 92 178 175 109 182 110 93 96 114 95 94 91 109 109 89 124 89 27 117 29 112 174 C C C C H C H H C H C C C H C C C C C C H C O H O C H -12.456 2.00 881 A 3.10 1.79 1.79 1.78 1.76 1.70 1.53 1.52 1.52 1.45 1.37 1.26 1.25 1.24 1.19 1.17 1.15 1.14 1.12 1.11 1.09 1.07 1.07 1.06 1.04 1.02 1 1 3 3 1 1 1 3 1 1 1 1 1 1 1 1 3 1 1 3 3 1 1 3 1 1 P:z P:z D:yz D:x2-y2 P:z P:y P:y D:xz P:x P:x P:y P:z P:x P:x P:y P:x D:xz P:z P:z D:z2 D:z2 P:x P:x D:z2 P:z P:x -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 28 61 5 15 67 33 61 18 60 54 59 27 57 77 68 27 11 30 38 15 3 21 55 17 73 62 O O W W O O O W O O O O O O O O W O O W W O O W O O -12.450 2.00 882 A 3.43 3.42 2.75 2.53 2.31 2.25 2.16 1.92 1.86 1.80 1.77 1.53 1.40 1.17 1.15 1.12 1.12 1.06 1.04 1 1 1 1 3 1 1 1 1 3 1 1 1 1 1 1 1 3 3 P:y P:z P:y P:x D:xy P:z P:x P:x P:x D:z2 P:z P:z P:y P:z P:y P:y P:y D:z2 D:xz -9.955 -9.955 -9.955 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1.25 1.25 1.24 1.24 1.23 1.17 1.14 1.13 1.10 1.09 1.08 1.05 1.01 1 1 1 3 3 1 1 1 1 1 1 1 3 3 3 1 1 1 1 1 3 1 P:y P:x P:z D:yz D:z2 P:x P:z P:z P:y P:y P:z P:x D:xz D:xz D:xy P:z P:x P:z P:z P:z D:x2-y2 P:z -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 31 34 70 7 18 33 47 40 41 71 50 36 6 20 11 80 44 41 69 49 19 65 O O O W W O O O O O O O W W W O O O O O W O -12.400 2.00 885 A 2.22 2.17 1.80 1.62 1.52 1.51 1.46 1.44 1.41 1.20 1.13 1.12 1.09 1.07 1.06 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 P:z P:z P:z P:y P:y P:z P:y P:z P:y P:y P:x P:x P:z D:yz P:y P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 60 25 30 59 26 62 31 65 38 67 35 48 33 14 73 45 64 O O O O O O O O O O O O O W O O O -12.332 2.00 886 A 4.75 4.37 2.87 2.56 2.01 1.86 1.64 1.63 1.52 1.52 1.52 1.49 1.44 1.37 1.36 1.34 1.32 1.29 1.26 1.25 1.20 1.18 1.16 1.15 1.11 1.11 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 3 1 1 1 1 1 1 3 1 P:x P:x P:y P:y P:y P:z P:y P:x P:z D:x2-y2 D:xy P:z P:z P:x P:x P:y P:x D:z2 P:x P:z P:y P:x P:y P:x D:x2-y2 P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 69 37 40 71 72 43 28 72 71 16 10 33 72 44 43 30 26 19 39 31 67 25 43 34 14 62 O O O O O O O O O W W O O O O O O W O O O O O O W O -12.256 2.00 887 A 3.07 3.04 2.98 1.88 1.82 1.80 1.75 1.67 1.60 1.55 1.53 1.40 1.30 1.28 1.28 1.24 1.16 1.16 1.14 1.11 1.10 1.10 1.06 1.04 1 1 1 1 1 1 3 1 1 3 1 1 1 1 1 3 1 3 3 1 3 1 1 1 P:x P:y P:x P:y P:y P:y D:z2 P:x P:z D:z2 P:z P:x P:z P:z P:x D:z2 P:z D:xz D:x2-y2 P:z D:xz P:y P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 41 39 36 34 68 35 4 70 53 13 47 38 77 39 29 15 75 18 13 58 11 80 24 63 O O O O O O W O O W O O O O O W O W W O W O O O -12.253 2.00 888 A 5.58 3.79 2.23 2.21 2.20 2.19 1.90 1.88 1.85 1.61 1.55 1.48 1.46 1.45 1.44 1.34 1.24 1.24 1.22 1.22 1.21 1.15 1.13 1.07 1.02 1.01 1 1 3 1 1 1 1 3 1 1 3 3 1 1 1 1 1 1 1 1 3 3 1 3 1 1 P:x P:y D:z2 P:x P:x P:z P:z D:xz P:z P:x D:xz D:z2 P:x P:x P:x P:y P:x P:x P:y P:y D:xy D:x2-y2 P:y D:x2-y2 P:y P:z -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 42 44 3 45 73 74 79 17 44 32 9 12 66 24 58 46 41 38 51 45 8 20 35 12 73 52 O O W O O O O W O O W W O O O O O O O O W W O W O O -12.235 2.00 889 A 2.12 2.01 2.00 1.97 1.97 1.87 1.85 1.72 1.63 1.60 1.57 1.34 1.32 1.30 1.27 1.20 1.20 1.16 1.10 1.07 1.06 1.06 1.02 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 3 1 1 1 1 1 3 P:y P:x P:y P:y P:z P:z P:x P:x P:x P:z P:x P:y P:y D:z2 D:xz P:y P:z P:z D:xz P:y P:z P:y P:z P:y D:z2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 44 36 39 80 74 47 42 41 34 36 77 51 64 15 11 46 49 42 18 31 79 34 34 54 3 O O O O O O O O O O O O O W W O O O W O O O O O W -12.234 2.00 890 A 2.28 1.92 1.92 1.89 1.82 1.81 1.54 1.51 1.42 1.27 1.25 1.23 1.20 1.19 1.18 1.16 1.15 1.09 1.08 1.07 1.04 1 1 1 1 1 3 1 1 1 1 1 3 1 1 1 1 1 1 1 3 1 P:z P:x P:z P:y P:x D:z2 P:z P:z P:z P:x P:x D:xy P:z P:y P:z P:z P:x P:x P:x D:z2 P:x -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 38 37 39 75 69 13 73 68 72 26 33 11 40 78 44 35 59 46 41 14 48 O O O O O W O O O O O W O O O O O O O W O -12.217 2.00 891 A 2.23 2.08 1.97 1.89 1.82 1.71 1.65 1.51 1.47 1.46 1.45 1.45 1.45 1.42 1.32 1.22 1.22 1.20 1.14 1.14 1.12 1.06 1.06 1 1 3 1 1 1 1 1 3 1 1 1 1 1 1 3 1 1 3 3 1 1 1 P:y P:z D:x2-y2 P:x P:x P:y P:y P:y D:z2 P:y P:z P:y P:x P:y P:z D:xz P:x P:x D:xy D:x2-y2 P:z P:x P:z -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 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1.13 1.09 1.06 1.04 1.00 1 1 1 1 1 3 1 1 1 1 3 1 3 1 1 1 3 1 1 1 1 3 3 3 1 3 1 1 1 1 1 P:z P:x P:x P:y P:y D:xy P:x P:y P:z P:z D:xy P:y D:xy P:x P:z P:x D:xy P:x P:y P:y P:x D:xy D:xz D:xy P:y D:xz P:z P:y P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 72 47 75 43 45 13 46 32 66 45 3 71 5 73 40 45 6 74 73 63 50 7 4 4 70 12 73 26 48 78 32 O O O O O W O O O O W O W O O O W O O O O W W W O W O O O O O -12.067 2.00 895 A 4.17 4.00 3.80 2.29 2.20 2.04 1.97 1.92 1.86 1.85 1.66 1.56 1.54 1.53 1.53 1.49 1.46 1.35 1.30 1.26 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 P:y P:x P:x P:x P:x P:y P:x P:y P:x P:z P:x P:z P:x P:z P:x P:x P:x P:z P:x P:x D:xy -9.955 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80 45 27 34 20 61 11 O O O O O O O O O O O W O O O O O O O O O O W O W -12.042 2.00 897 A 2.26 2.05 2.01 1.82 1.66 1.58 1.56 1.42 1.40 1.37 1.33 1.30 1.24 1.23 1.19 1.17 1.16 1.12 1.11 1.10 1.09 1.08 1.08 1.07 1.05 1.05 1.02 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 3 1 3 1 1 1 1 P:x P:y P:y P:x P:y P:y P:y P:z P:x P:z D:xz P:z P:z P:x P:x P:x P:y P:x P:y P:x D:z2 P:z D:x2-y2 P:z P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 32 45 70 74 27 59 35 25 57 61 13 35 78 47 31 80 50 63 78 45 16 36 20 60 26 70 27 O O O O O O O O O O W O O O O O O O O O W O W O O O O -12.031 2.00 898 A 2.74 2.36 2.25 2.09 1.97 1.92 1.88 1.75 1.65 1.49 1.43 1.40 1.37 1.25 1.23 1.11 1.10 1.06 1.05 1.04 1.01 1 1 1 1 1 1 1 1 1 1 1 1 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1.38 1.21 1.06 1.05 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:y P:y P:y P:z P:y P:y D:yz P:y P:z P:y P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 37 71 43 69 40 50 72 78 40 72 48 37 16 43 22 71 81 53 O O O O O O O O O O O O W O O O O O -11.668 2.00 911 A 2.42 2.29 2.11 2.09 2.07 1.85 1.74 1.64 1.62 1.58 1.53 1.48 1.47 1.47 1.38 1.37 1.33 1.31 1.29 1.29 1.17 1.09 1.07 1.05 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 1 1 1 1 P:z P:y P:y P:x P:x P:y P:y P:z P:z P:x P:x P:x P:x P:y P:z P:y P:x P:x P:z D:xy P:z D:z2 P:x P:x P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 47 75 46 77 50 31 76 79 74 82 52 28 49 80 65 54 51 78 30 7 48 13 81 33 64 59 O O O O O O O O O O O O O O O O O O O W O W O O O O -11.597 2.00 912 A 4.89 3.46 3.31 2.02 1.79 1.73 1.56 1.53 1.51 1.42 1.39 1.38 1.33 1.25 1.24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:y P:x P:x P:y P:y P:y P:x P:x P:y P:x P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 78 53 76 81 54 48 50 76 75 76 82 46 52 54 55 O O O O O O O O O O O O O O O -11.564 2.00 913 A 4.32 2.68 2.55 2.15 2.12 2.08 1.86 1.84 1.67 1.51 1.38 1.35 1.31 1.27 1.24 1.21 1.16 1.16 1.12 1.12 1.11 1.10 1.08 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:z P:z P:z P:x P:y P:z P:z P:y P:y P:z P:y P:z P:y P:y P:x P:x P:x P:y P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 50 33 36 76 42 78 25 67 39 74 36 46 60 48 31 30 42 28 59 62 26 24 82 59 O O O O O O O O O O O O O O O O O O O O O O O O -11.561 2.00 914 A 3.18 2.74 2.55 2.26 2.15 2.08 1.94 1.89 1.87 1.61 1.56 1.56 1.39 1.34 1.33 1.27 1.25 1.25 1.19 1.18 1.13 1.10 1.09 1.09 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:y P:z P:z P:z P:x P:z P:z P:z P:x P:z P:y P:z P:z P:z P:y P:y P:x P:x P:x P:y P:x P:y S P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -6.581 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 81 48 28 49 34 41 48 44 62 25 26 47 65 64 31 79 30 34 58 24 33 60 60 76 128 39 O O O O O O O O O O O O O O O O O O O O O O O O H O -11.526 2.00 915 A 2.59 2.41 2.14 1.94 1.71 1.58 1.47 1.45 1.41 1.23 1.19 1.16 1.16 1.15 1.15 1.13 1.12 1.09 1.05 1.04 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x S P:z S S P:z P:y P:z P:y P:z P:z P:x P:z P:x S P:y S P:z P:z P:x P:z -9.955 -6.581 -9.955 -6.581 -6.581 -9.955 -5.048 -9.955 -5.048 -9.955 -5.048 -9.955 -9.955 -9.955 -6.581 -7.353 -6.581 -9.955 -9.955 -9.955 -5.048 1.33 1.00 1.33 1.00 1.00 1.33 0.67 1.33 0.67 1.33 0.67 1.33 1.33 1.33 1.00 1.00 1.00 1.33 1.33 1.33 0.67 77 128 77 168 129 75 107 81 94 54 94 71 53 52 167 84 132 76 78 49 107 O H O H H O C O C O C O O O H N H O O O C -11.497 2.00 916 A 2.88 2.47 2.34 2.32 2.20 2.07 1.85 1.72 1.65 1.43 1.39 1.33 1.16 1.16 1.14 1.08 1.04 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:z P:y P:y S P:x P:y S P:y P:y P:x P:z P:x P:y P:z S P:x P:x -6.581 -6.581 -9.955 -9.955 -9.955 -6.581 -5.048 -5.048 -6.581 -9.955 -5.048 -9.955 -5.048 -9.955 -7.353 -9.955 -6.581 -9.955 -9.955 1.00 1.00 1.33 1.33 1.33 1.00 0.67 0.67 1.00 1.33 0.67 1.33 0.67 1.33 1.00 1.33 1.00 1.33 1.33 176 184 46 46 47 177 109 110 183 54 112 51 110 52 88 32 116 21 49 H H O O O H C C H O C O C O N O H O O -11.484 2.00 917 A 3.06 2.41 2.26 2.02 1.85 1.67 1.59 1.39 1.30 1.21 1.20 1.18 1.16 1.13 1.13 1.12 1.08 1.04 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 S P:z P:x P:y P:y P:z P:x P:x P:y S S P:z S D:xy P:y S P:z P:x S S -6.581 -9.955 -9.955 -5.048 -9.955 -9.955 -9.955 -9.955 -5.048 -6.581 -6.581 -5.048 -6.581 -4.382 -9.955 -6.581 -5.048 -9.955 -6.581 -6.581 1.00 1.33 1.33 0.67 1.33 1.33 1.33 1.33 0.67 1.00 1.00 0.67 1.00 0.80 1.33 1.00 0.67 1.33 1.00 1.00 160 75 54 104 49 53 47 27 102 168 153 107 121 4 29 171 109 80 179 175 H O O C O O O O C H H C H W O H C O H H -11.465 2.00 918 A 3.05 2.75 2.30 2.07 2.01 1.92 1.73 1.61 1.52 1.43 1.38 1.37 1.37 1.33 1.29 1.15 1.14 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x S S P:x S P:z S S S P:x P:y P:x P:y S S P:z P:y P:y P:x -5.048 -6.581 -6.581 -9.955 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -9.955 -5.048 -6.581 -6.581 -5.048 -5.048 -7.353 -7.353 0.67 1.00 1.00 1.33 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.33 0.67 1.00 1.00 0.67 0.67 1.00 1.00 90 113 116 52 149 89 184 152 118 112 101 72 106 115 164 102 89 87 88 C H H O H C H H H C C O C H H C C N N -11.450 2.00 919 A 2.85 2.63 2.16 2.06 1.67 1.49 1.48 1.47 1.43 1.39 1.38 1.37 1.32 1.30 1.27 1.26 1.24 1.16 1.12 1.11 1.04 1.03 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y S P:y S P:z S S P:x P:x S P:y P:x P:y S S S S P:z S S S P:y S -9.955 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 1.33 0.67 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 0.67 1.00 79 106 164 100 176 99 161 145 92 108 122 103 110 101 144 142 147 149 97 166 171 155 98 156 O C H C H C H H C C H C C C H H H H C H H H C H -11.446 2.00 920 A 4.97 4.52 3.12 2.96 2.81 2.61 2.51 1.99 1.93 1.91 1.81 1.81 1.51 1.44 1.43 1.36 1.25 1.18 1.15 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y S S P:x S S P:x P:x S S S S P:z S P:y P:z P:z S P:y P:x -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -9.955 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 0.67 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 1.00 1.00 1.00 1.33 1.00 0.67 0.67 0.67 1.00 0.67 0.67 103 156 155 97 137 159 104 102 139 140 154 128 46 146 98 103 94 168 100 98 C H H C H H C C H H H H O H C C C H C C -11.440 2.00 921 A 3.04 2.19 1.93 1.93 1.81 1.79 1.78 1.76 1.76 1.76 1.66 1.64 1.63 1.48 1.44 1.29 1.22 1.17 1.04 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x S S P:x P:x P:z S S P:z S S S S P:x S P:x P:z S P:x P:y -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -7.353 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 90 118 116 99 104 97 138 137 89 113 153 145 160 85 159 97 102 144 95 104 C H H C C C H H C H H H H N H C C H C C -11.436 2.00 922 A 3.43 3.38 3.23 3.07 2.95 2.73 2.45 2.42 2.35 2.13 2.12 2.07 1.73 1.71 1.42 1.40 1.39 1.25 1.23 1.22 1.17 1.17 1.17 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x P:z S P:x S P:x P:x S P:x S P:x S P:y S S P:y P:x P:x S P:z S S S -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -7.353 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -9.955 -6.581 -6.581 -5.048 -5.048 -7.353 -6.581 -5.048 -6.581 -6.581 -6.581 1.00 0.67 0.67 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.33 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 150 101 96 135 95 132 86 98 148 103 141 100 157 74 159 164 106 104 85 161 100 131 139 134 H C C H C H N C H C H C H O H H C C N H C H H H -11.432 2.00 923 A 11.69 8.85 5.07 4.96 3.63 3.38 3.12 2.20 2.08 2.04 1.89 1.82 1.79 1.74 1.62 1.47 1.32 1.25 1.24 1.23 1.22 1.05 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 P:x S S P:y S S P:x P:y P:y S S P:x S P:x S S S P:z P:x P:x P:y P:x P:x -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -7.353 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -7.353 5.519 -9.955 -9.955 0.67 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.00 1.33 1.33 92 122 115 89 123 150 101 91 90 120 117 86 124 103 113 157 154 89 102 83 89 43 72 C H H C H H C C C H H N H C H H H C C N C O O -11.431 2.00 924 A 6.86 6.17 3.71 3.20 2.99 2.54 2.42 2.31 2.13 2.05 1.88 1.81 1.76 1.74 1.42 1.34 1.29 1.28 1.20 1.14 1.12 1.07 1.06 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y P:z S S S P:z P:x S P:z S S S P:z P:z P:x P:x S S P:x P:z P:z S P:x -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -7.353 -5.048 -9.955 -6.581 -6.581 -9.955 -5.048 -5.048 -6.581 -9.955 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.33 1.00 1.00 1.33 0.67 0.67 1.00 1.33 151 101 104 158 149 152 99 102 142 101 147 154 143 98 85 110 43 178 184 71 112 102 173 40 H C C H H H C C H C H H H C N C O H H O C C H O -11.428 2.00 925 A 5.47 5.42 4.48 3.96 3.71 3.51 2.03 1.91 1.86 1.80 1.68 1.63 1.55 1.54 1.39 1.38 1.25 1.20 1.18 1.16 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x S P:z P:z S S P:x S S P:y S P:x S S S S S P:y S P:z P:x -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 0.67 101 150 102 103 153 157 104 152 160 89 115 98 149 140 159 156 137 104 151 101 97 C H C C H H C H H C H C H H H H H C H C C -11.425 2.00 926 A 9.40 6.83 5.37 4.93 4.75 4.73 4.41 3.68 3.04 2.48 2.15 1.74 1.59 1.51 1.45 1.38 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x S S P:z P:z P:z S S P:y S S P:z P:x P:y P:x -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -7.353 -7.353 -5.048 -5.048 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 158 104 151 159 92 101 104 124 117 90 123 116 86 86 101 90 H C H H C C C H H C H H N N C C -11.424 2.00 927 A 4.16 3.04 2.83 2.73 2.06 1.98 1.95 1.69 1.62 1.61 1.57 1.40 1.36 1.31 1.22 1.18 1.16 1.11 1.10 1.10 1.09 1.09 1.06 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z S S P:y S P:y P:x P:x P:y P:x P:z S P:z P:z S P:z P:x S P:z P:x S P:z S S -5.048 -6.581 -6.581 -5.048 -6.581 -9.955 -9.955 -9.955 -9.955 -5.048 -5.048 -6.581 -9.955 -7.353 -6.581 -5.048 -9.955 -6.581 -9.955 -9.955 -6.581 -9.955 -6.581 -6.581 0.67 1.00 1.00 0.67 1.00 1.33 1.33 1.33 1.33 0.67 0.67 1.00 1.33 1.00 1.00 0.67 1.33 1.00 1.33 1.33 1.00 1.33 1.00 1.00 92 124 117 90 123 37 71 40 69 102 98 154 31 85 137 99 43 142 37 72 115 64 158 147 C H H C H O O O O C C H O N H C O H O O H O H H -11.421 2.00 928 A 6.31 4.92 4.58 3.61 2.67 2.27 2.24 1.91 1.84 1.83 1.73 1.61 1.57 1.52 1.26 1.18 1.16 1.09 1.05 1.02 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y S P:z S P:z P:x S S P:z P:x S S S P:y P:y P:y S P:z S P:x S -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -7.353 -6.581 -7.353 -6.581 -5.048 -6.581 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 142 98 141 98 139 99 100 143 153 102 97 148 129 175 97 106 85 164 85 136 96 151 H C H C H C C H H C C H H H C C N H N H C H -11.420 2.00 929 A 9.85 8.70 7.48 7.39 3.61 3.56 2.28 2.25 2.19 1.79 1.75 1.67 1.65 1.55 1.31 1.19 1.17 1.15 1.14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:z S P:y P:x S P:x S P:x P:x P:z S P:x S S P:y P:x P:z S -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -7.353 -6.581 -5.048 -5.048 -7.353 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 1.00 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 124 92 117 90 104 159 86 150 101 103 83 156 92 122 147 103 99 100 144 H C H C C H N H C C N H C H H C C C H -11.419 2.00 930 A 6.54 5.89 5.62 4.77 3.74 3.23 3.14 3.09 2.93 2.69 2.66 2.37 2.28 2.21 2.05 1.88 1.67 1.65 1.46 1.38 1.32 1.14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:z P:x P:y P:z S S S S S P:z P:z S S S P:z S S P:z P:y S P:y -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -7.353 -5.048 -6.581 -7.353 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 1.00 0.67 1.00 1.00 153 102 99 104 98 160 156 142 138 144 97 103 141 152 143 100 137 145 86 102 148 86 H C C C C H H H H H C C H H H C H H N C H N -11.416 2.00 931 A 10.47 6.38 5.28 3.70 3.15 2.89 2.48 2.43 2.05 2.03 1.92 1.82 1.75 1.49 1.44 1.24 1.24 1.21 1.21 1.19 1.16 1.09 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z S S P:z S S P:x S P:x P:z P:x S P:z P:z S S S P:z P:y P:x S S S -5.048 -6.581 -6.581 -7.353 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 103 157 156 86 153 154 102 159 99 102 104 143 92 98 155 123 120 104 91 101 144 142 124 C H H N H H C H C C C H C C H H H C C C H H H -11.412 2.00 932 A 7.11 6.50 4.87 2.82 2.69 2.57 2.52 1.88 1.75 1.57 1.48 1.45 1.30 1.20 1.14 1.13 1.11 1.11 1.10 1.08 1.08 1.06 1.06 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z S S S P:x P:x S P:y P:z S S P:y P:y S P:z P:y S S P:x S P:z S P:x P:x -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -7.353 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 100 147 144 123 99 111 148 91 85 120 183 99 110 177 99 112 169 165 92 154 92 181 106 102 C H H H C C H C N H H C C H C C H H C H C H C C -11.410 2.00 933 A 10.53 9.76 9.30 7.50 6.76 6.15 6.09 3.98 3.67 1.84 1.75 1.69 1.55 1.46 1.22 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z S S P:z P:z S P:z P:y S P:y S S S S P:z P:z -5.048 -6.581 -6.581 -5.048 -7.353 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 0.67 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 91 118 119 90 83 114 89 90 113 89 166 117 170 120 106 108 C H H C N H C C H C H H H H C C -11.407 2.00 934 A 4.06 2.76 2.62 2.56 2.27 2.25 2.21 2.11 1.94 1.73 1.73 1.62 1.51 1.40 1.38 1.33 1.28 1.28 1.21 1.11 1.09 1.09 1.06 1.03 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x S S P:x S S P:x P:x S P:y S P:x S S P:y S S P:x S P:y P:z P:y P:z S P:y -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -7.353 -6.581 -6.581 -5.048 -6.581 -6.581 -7.353 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -7.353 0.67 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 98 144 141 111 152 140 99 112 182 100 143 85 149 179 99 166 170 88 120 101 97 91 102 148 83 C H H C H H C C H C H N H H C H H N H C C C C H N -11.406 2.00 935 A 9.19 9.02 8.03 6.73 3.72 3.24 2.84 2.55 2.46 1.95 1.77 1.72 1.53 1.17 1.13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:z P:z S P:x P:z S P:z P:x S P:y S S P:z -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -7.353 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -7.353 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 166 170 106 108 165 106 87 143 89 108 113 99 114 172 83 H H C C H C N H C C H C H H N -11.404 2.00 936 A 9.60 9.03 5.30 5.27 4.93 4.61 4.51 3.06 2.63 2.26 2.06 1.99 1.51 1.37 1.35 1.27 1.26 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y P:y P:y S S P:y S S P:y P:z P:z P:z P:z S S S P:y -6.581 -5.048 -5.048 -7.353 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 120 91 92 83 123 115 89 119 138 99 97 100 92 91 139 147 114 97 H C C N H H C H H C C C C C H H H C -11.401 2.00 937 A 3.75 3.53 3.31 2.90 2.77 2.64 2.59 2.48 2.38 2.25 1.81 1.66 1.55 1.52 1.36 1.27 1.27 1.12 1.08 1.06 1.06 1.03 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y S P:x S S S S P:y P:z S P:z S P:y S P:x P:x S S S S P:y S P:y P:y -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.67 0.67 112 182 102 154 138 183 148 103 97 155 100 178 100 139 112 98 146 145 141 180 89 157 110 97 C H C H H H H C C H C H C H C C H H H H C H C C -11.400 2.00 938 A 4.21 3.79 2.91 2.90 2.84 2.45 1.99 1.80 1.70 1.62 1.61 1.58 1.36 1.32 1.27 1.22 1.21 1.21 1.20 1.20 1.19 1.18 1.12 1.08 1.08 1.08 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x S P:x S P:y S S S S P:z P:z S S P:y S S S P:y S P:z P:x P:z P:y S P:y P:y -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -7.353 -7.353 -5.048 -6.581 -7.353 -5.048 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 0.67 179 111 141 98 175 109 181 152 178 140 111 110 157 144 112 129 149 126 102 160 103 85 86 101 158 86 104 H C H C H C H H H H C C H H C H H H C H C N N C H N C -11.398 2.00 939 A 3.82 3.67 2.87 2.81 2.79 2.10 1.93 1.82 1.58 1.55 1.49 1.41 1.29 1.28 1.27 1.27 1.25 1.23 1.13 1.08 1.06 1.05 1.04 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z S P:y S S S S P:z P:y S P:y P:z S P:z P:z S P:x P:y S P:x S P:y S S -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -7.353 -5.048 -6.581 -5.048 -7.353 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 1.00 110 178 97 177 137 140 182 112 99 143 85 89 145 98 88 131 110 98 113 95 139 111 126 136 C H C H H H H C C H N C H C N H C C H C H C H H -11.396 2.00 940 A 11.51 8.79 8.09 7.45 3.89 2.03 1.95 1.67 1.64 1.55 1.46 1.38 1.33 1.33 1.31 1.27 1.19 1.19 1.16 1.16 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:z P:x P:y P:y P:z S S S P:z P:y S P:z S P:y S P:z S S S -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -7.353 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 134 127 96 93 96 93 105 125 136 162 84 108 172 109 135 112 161 110 173 174 177 H H C C C C C H H H N C H C H C H C H H H -11.395 2.00 941 A 15.32 15.01 14.45 13.16 3.69 3.24 2.41 1.94 1.87 1.73 1.60 1.47 1.02 1.01 1 1 1 1 1 1 1 1 1 2 1 1 1 1 S P:y S P:z S S P:y P:y S P:y S P:z P:x P:z -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -7.353 -6.581 5.519 -6.581 -7.353 -5.048 -5.048 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 0.00 1.00 1.00 0.67 0.67 162 108 172 105 171 161 105 87 127 108 134 87 93 96 H C H C H H C N H C H N C C -11.393 2.00 942 A 5.72 4.95 4.65 3.72 3.38 2.72 2.66 2.50 2.47 2.45 2.15 2.03 1.99 1.87 1.67 1.64 1.63 1.57 1.54 1.47 1.46 1.39 1.32 1.28 1.25 1.19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y S P:x S S P:z S S S P:z S S S S P:y S P:x S S S P:z P:z P:z P:z S -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 0.67 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 109 112 174 93 183 125 110 180 173 184 89 133 134 177 114 111 127 91 176 121 126 96 95 111 93 113 C C H C H H C H H H C H H H H C H C H H H C C C C H -11.391 2.00 943 A 5.32 4.95 3.27 3.16 3.04 2.95 2.94 2.77 2.74 2.51 1.67 1.56 1.54 1.50 1.49 1.48 1.38 1.36 1.36 1.22 1.21 1.17 1.15 1.14 1.14 1.11 1.11 1.09 1.07 1.05 1.03 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:z S P:z P:y P:z P:y S S P:x S S S P:z P:y S P:y P:y P:y P:z S S S S P:z P:x P:z S P:x S S -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -7.353 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 1.00 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 126 133 93 127 95 93 110 95 178 131 105 177 134 169 89 106 182 112 96 94 109 174 163 164 121 88 91 107 114 93 136 130 H H C H C C C C H H C H H H C C H C C C C H H H H N C C H C H H -11.389 2.00 944 A 3.83 3.81 2.81 2.73 2.52 2.35 2.17 2.12 2.06 1.98 1.88 1.88 1.76 1.70 1.59 1.58 1.57 1.57 1.34 1.30 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S S S P:z P:z P:y P:y P:x P:y P:x S S S P:y P:y S P:x S S S P:z -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -7.353 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 1.00 1.00 1.00 0.67 133 126 136 129 93 95 101 103 96 95 94 155 139 149 93 86 146 110 176 178 135 100 H H H H C C C C C C C H H H C N H C H H H C -11.383 2.00 945 A 9.96 8.47 8.47 7.63 7.49 6.84 5.70 4.33 3.01 2.97 2.92 1.93 1.44 1.37 1.12 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 P:x P:x P:x P:x S S S P:x S S S S P:x S P:x S -7.353 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 8.878 -6.581 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.00 1.00 87 105 106 107 165 163 169 108 170 171 161 162 93 125 87 172 N C C C H H H C H H H H C H N H -11.381 2.00 946 A 3.78 3.56 3.48 3.29 3.16 2.87 2.84 2.83 2.80 2.52 2.34 2.24 2.10 2.08 2.06 1.77 1.71 1.66 1.49 1.39 1.38 1.37 1.25 1.24 1.12 1.11 1.09 1.06 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S S P:x P:y P:x P:x P:y P:y P:x P:z S S S P:y P:x P:y S S P:z P:x S P:z P:x S P:z S S P:z -6.581 -6.581 -6.581 -5.048 -7.353 -5.048 -5.048 -5.048 -5.048 -7.353 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -7.353 -7.353 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 1.00 1.00 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 0.67 136 125 169 93 85 96 94 99 97 84 107 145 170 140 98 106 100 129 165 87 87 146 108 107 127 94 128 135 106 H H H C N C C C C N C H H H C C C H H N N H C C H C H H C -11.380 2.00 947 A 10.78 9.97 9.39 6.64 6.18 6.02 5.49 4.53 4.47 3.78 3.28 2.99 2.66 2.58 1.53 1.42 1.11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:z P:y P:z P:z P:y P:y S S P:z S S P:y S P:z S -6.581 -6.581 -5.048 -5.048 -7.353 -5.048 -5.048 -7.353 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 181 180 111 111 88 112 110 88 173 174 109 182 178 109 177 110 183 H H C C N C C N H H C H H C H C H -11.378 2.00 948 A 8.06 7.75 5.95 3.61 3.41 3.33 3.20 2.48 2.46 2.37 1.50 1.36 1.32 1.29 1.19 1.18 1.16 1.14 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y S S P:x S P:x P:x S P:x P:y P:y P:y S S P:x P:y P:y S -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -7.353 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 1.00 175 109 173 179 109 176 110 111 121 91 86 102 104 160 114 89 111 101 149 H C H H C H C C H C N C C H H C C C H -11.376 2.00 949 A 10.08 8.38 6.20 5.85 5.21 4.52 4.25 4.23 4.05 3.64 2.81 2.77 2.57 1.78 1.74 1.69 1.61 1.21 1.18 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:y P:y P:z S P:y S P:y S P:z P:x P:y P:x P:x S P:z P:z P:x P:z -6.581 -6.581 -5.048 -7.353 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -7.353 -5.048 -5.048 -7.353 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 130 131 95 84 94 135 96 136 94 126 84 95 93 84 94 125 95 93 96 96 H H C N C H C H C H N C C N C H C C C C -11.372 2.00 950 A 3.74 3.67 3.49 3.31 3.07 2.74 2.46 2.21 2.16 2.09 2.09 2.05 1.59 1.43 1.40 1.40 1.40 1.26 1.16 1.15 1.11 1.07 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y P:x S S S P:x P:z S P:x S P:z P:x P:y P:z P:x S P:x P:y S P:z S P:y -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -9.955 -5.048 -5.048 -7.353 -6.581 -5.048 -7.353 -6.581 -9.955 -6.581 -5.048 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.33 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.33 1.00 0.67 167 107 112 163 174 130 105 97 131 95 184 109 79 94 94 88 138 109 87 182 53 169 98 H C C H H H C C H C H C O C C N H C N H O H C -11.370 2.00 951 A 2.86 2.54 2.37 2.35 2.00 1.95 1.93 1.82 1.72 1.68 1.58 1.55 1.48 1.48 1.40 1.35 1.30 1.29 1.24 1.23 1.22 1.15 1.14 1.13 1.05 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y P:y S S S P:x P:z S S P:x S P:x P:y S P:x P:x S P:x S P:x P:x S P:x P:y P:y S -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -7.353 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -7.353 -6.581 -5.048 -9.955 -7.353 -6.581 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.33 1.00 1.00 132 95 107 167 129 163 105 111 180 146 100 155 84 103 169 112 96 139 97 133 102 85 154 94 74 84 135 H C C H H H C C H H C H N C H C C H C H C N H C O N H -11.355 2.00 952 A 3.55 2.65 2.25 2.20 2.13 2.09 2.04 1.80 1.80 1.63 1.63 1.55 1.52 1.49 1.36 1.36 1.22 1.16 1.15 1.13 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z S P:z S P:x P:y S P:y P:x P:x P:x P:x S S P:z P:z S P:z S -9.955 -9.955 -5.048 -6.581 -9.955 -6.581 -5.048 -9.955 -6.581 -9.955 -5.048 -5.048 -5.048 -7.353 -6.581 -6.581 -9.955 -9.955 -6.581 -9.955 -6.581 1.33 1.33 0.67 1.00 1.33 1.00 0.67 1.33 1.00 1.33 0.67 0.67 0.67 1.00 1.00 1.00 1.33 1.33 1.00 1.33 1.00 40 71 107 121 31 168 91 37 171 69 89 108 95 83 135 132 64 33 116 37 161 O O C H O H C O H O C C C N H H O O H O H -11.350 2.00 953 A 2.57 2.21 2.06 2.04 1.74 1.73 1.71 1.57 1.56 1.30 1.29 1.23 1.11 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x P:z P:x S P:x S S P:z P:y P:y P:x P:y P:y -6.581 -9.955 -5.048 -9.955 -6.581 -5.048 -6.581 -6.581 -5.048 -9.955 -5.048 -9.955 -9.955 -5.048 1.00 1.33 0.67 1.33 1.00 0.67 1.00 1.00 0.67 1.33 0.67 1.33 1.33 0.67 168 43 107 72 146 97 128 139 94 49 100 77 72 107 H O C O H C H H C O C O O C -11.324 2.00 954 A 2.42 2.19 2.12 1.83 1.73 1.72 1.72 1.72 1.71 1.37 1.34 1.23 1.09 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:x P:y P:z P:z P:y P:y P:x P:x P:x P:y P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -5.048 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.67 75 53 77 50 74 47 46 65 67 69 79 30 25 103 O O O O O O O O O O O O O C -11.283 2.00 955 A 6.40 5.37 2.38 2.21 2.18 2.08 1.66 1.61 1.51 1.44 1.37 1.30 1.27 1.22 1.21 1.18 1.15 1.11 1.11 1.10 1.09 1.02 1.01 1 1 1 1 1 1 1 1 3 3 1 1 1 1 3 1 1 1 1 1 1 1 1 P:x P:y P:x P:y P:z P:x P:y P:z D:xy D:xy P:z P:y P:x P:x D:xz P:x P:y P:x P:z P:z P:y P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 79 74 75 52 80 51 79 74 13 12 51 80 70 71 12 73 69 74 47 75 46 66 61 O O O O O O O O W W O O O O W O O O O O O O O -11.269 2.00 956 A 6.87 3.31 2.86 2.68 2.63 2.04 1.66 1.49 1.38 1.37 1.35 1.29 1.26 1.23 1.21 1.16 1.15 1.14 1.11 1.11 1.10 1.03 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 3 1 1 1 1 P:x P:y P:x P:y P:x P:y P:x D:xy D:x2-y2 P:y P:y P:z P:y P:z P:x P:z P:y D:yz P:y P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 80 74 82 77 79 68 51 15 17 66 63 75 49 49 52 63 79 18 75 47 68 77 O O O O O O O W W O O O O O O O O W O O O O -11.263 2.00 957 A 4.56 3.59 3.14 2.84 2.66 2.53 2.25 2.18 2.18 2.15 1.95 1.85 1.79 1.57 1.54 1.44 1.40 1.30 1.20 1.04 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:z P:y P:y P:z P:y P:y P:z P:x P:z P:x P:z P:x P:z P:x P:x P:x P:y P:z -9.955 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2.47 2.23 1.93 1.88 1.87 1.52 1.45 1.31 1.31 1.29 1.19 1.17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 P:x P:z P:x P:y P:z P:y P:x P:y P:y P:x P:z P:x P:x P:y P:x P:x D:x2-y2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 51 51 80 52 54 47 79 50 54 46 52 54 32 21 47 49 11 O O O O O O O O O O O O O O O O W -11.228 2.00 960 A 3.37 3.23 3.16 2.34 2.22 2.15 2.07 2.04 1.90 1.88 1.60 1.60 1.57 1.48 1.44 1.41 1.40 1.38 1.37 1.31 1.29 1.23 1.21 1.18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:x P:x P:y P:x P:y P:x P:y P:y P:y P:x P:y P:y P:x P:z P:y P:z P:y P:y P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 39 44 75 45 70 36 41 81 38 34 74 42 73 52 46 42 41 80 35 61 27 52 47 35 O O O O O O O O O O O O O O O O O O O O O O O O -11.218 2.00 961 A 3.53 3.42 2.82 2.80 2.49 2.30 2.26 2.16 2.03 1.82 1.71 1.65 1.54 1.38 1.22 1.16 1.10 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 P:x P:x P:x P:y P:x P:y P:y P:z P:z P:x P:x S P:x P:x P:x D:xz P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -5.048 -6.581 -9.955 -9.955 -9.955 -4.382 -5.048 -7.353 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.67 1.00 1.33 1.33 1.33 0.80 0.67 1.00 77 48 81 81 79 75 80 54 46 51 91 121 52 82 38 3 89 83 O O O O O O O O O O C H O O O W C N -11.200 2.00 962 A 6.40 5.61 4.92 3.56 2.79 2.63 2.16 2.06 1.86 1.59 1.40 1.37 1.33 1.24 1.13 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:y P:y P:y P:x P:y P:x P:x P:x P:y P:z P:x P:z P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 82 46 82 74 46 54 76 80 77 52 81 74 81 48 55 48 O O O O O O O O O O O O O O O O -11.182 2.00 963 A 4.58 4.18 3.50 3.20 3.14 2.89 1.82 1.68 1.51 1.49 1.46 1.39 1.15 1.15 1.13 1.10 1.09 1.04 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 3 3 P:y P:x P:z P:z P:x P:y P:z P:x P:y P:x P:z P:z D:x2-y2 P:y P:y P:y D:xy D:xz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 47 49 80 82 52 54 52 26 43 78 72 53 9 76 82 80 18 20 O O O O O O O O O O O O W O O O W W -11.177 2.00 964 A 6.81 5.48 5.29 5.18 3.13 2.71 2.52 2.48 2.00 1.75 1.71 1.60 1.50 1.38 1.23 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:y P:x P:y P:z P:y P:x P:z P:x P:y P:y P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 49 47 47 48 50 74 81 80 78 79 80 46 52 76 54 O O O O O O O O O O O O O O O -11.165 2.00 965 A 3.84 3.69 3.63 3.46 2.61 2.28 2.04 1.99 1.99 1.88 1.82 1.66 1.63 1.58 1.52 1.51 1.49 1.43 1.41 1.37 1.34 1.13 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 P:x P:z P:z P:z P:x P:y P:z P:z P:x P:z P:z P:y P:y D:yz P:y P:x P:z P:x P:x P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 49 78 79 74 81 50 49 50 77 81 30 54 53 7 47 78 65 82 54 46 51 33 O O O O O O O O O O O O O W O O O O O O O O -11.150 2.00 966 A 4.58 3.38 3.24 3.21 2.63 1.93 1.91 1.64 1.57 1.57 1.36 1.29 1.19 1.12 1.11 1.04 1.03 1.02 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 P:z P:z P:y P:x P:y P:z P:y P:z P:y P:x P:z P:x P:z P:y D:x2-y2 D:xz P:x P:z P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -5.048 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.67 1.33 1.33 48 46 81 79 74 76 47 67 79 76 77 78 55 76 19 17 42 94 33 82 O O O O O O O O O O O O O O W W O C O O -11.143 2.00 967 A 3.36 3.12 2.80 2.79 2.54 2.44 2.32 2.12 2.08 1.99 1.86 1.60 1.49 1.43 1.29 1.16 1.13 1.12 1.07 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 P:y P:z P:z P:x P:y P:y P:x P:z P:x P:x P:x P:x P:z P:z P:z S D:x2-y2 P:z P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -5.048 -6.581 -4.382 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.67 1.00 0.80 1.33 1.33 1.33 74 75 48 50 48 52 53 51 52 79 51 49 76 39 107 168 5 78 75 46 O O O O O O O O O O O O O O C H W O O O -11.140 2.00 968 A 5.05 3.91 3.44 3.09 2.72 2.72 2.24 1.92 1.74 1.64 1.53 1.46 1.38 1.32 1.29 1.24 1.18 1.17 1.13 1 1 1 1 1 1 1 3 1 1 3 1 1 1 1 3 1 1 1 P:z P:y P:y P:y P:y P:x P:z D:yz P:y P:y D:yz P:y P:y P:x P:x D:yz P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 50 48 50 78 53 52 78 16 51 75 10 46 31 41 76 7 62 49 48 O O O O O O O W O O W O O O O W O O O -11.121 2.00 969 A 10.67 8.18 3.07 2.55 2.34 2.05 1.99 1.48 1.33 1.32 1.17 1.07 1.05 1.01 1.00 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 P:z P:x P:y P:z P:z P:x P:y P:y D:yz P:z S P:x P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -6.581 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.00 1.33 1.33 1.33 1.33 53 54 52 46 81 51 76 46 19 54 179 80 30 48 78 O O O O O O O O W O H O O O O -11.087 2.00 970 A 4.03 3.98 3.37 3.19 2.45 2.14 2.10 2.08 2.00 1.83 1.76 1.68 1.59 1.48 1.47 1.46 1.42 1.33 1.32 1.24 1.21 1.20 1.19 1.11 1.10 1.08 1.08 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 3 1 1 1 P:x P:x P:z P:z P:z P:y P:y P:y P:z P:y P:x P:z P:z P:x P:x P:y D:x2-y2 P:y P:y P:y P:z P:z P:x P:z D:x2-y2 P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 40 71 68 35 33 28 72 68 62 35 43 45 34 67 72 67 14 73 81 43 71 64 62 53 5 48 43 81 O O O O O O O O O O O O O O O O W O O O O O O O W O O O -11.084 2.00 971 A 3.69 3.62 3.36 3.07 2.88 2.86 2.71 2.65 2.47 2.37 2.29 2.17 2.17 2.11 1.85 1.59 1.57 1.37 1.36 1.33 1.26 1.20 1.20 1.19 1.18 1.14 1.12 1.11 1.05 1.05 1.04 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:y P:z P:x P:y P:x P:y P:z P:z P:z P:z P:y P:z P:z P:z P:y P:x P:z P:y P:z P:z P:y P:z P:y P:y P:y P:x P:z P:z P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 70 37 69 31 72 38 43 65 45 26 69 38 60 37 53 59 73 71 41 30 73 64 78 50 81 41 25 40 81 42 70 39 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -11.060 2.00 972 A 4.99 4.36 3.54 3.50 3.20 3.05 2.47 2.42 2.25 1.61 1.56 1.50 1.48 1.47 1.42 1.41 1.40 1.40 1.22 1.18 1.17 1.15 1.09 1.01 1.00 1 1 1 1 1 1 1 1 1 1 3 3 1 3 1 1 1 1 3 3 1 1 1 3 1 P:x P:x P:y P:y P:x P:x P:y P:z P:z P:z D:xy D:xz P:x D:xz P:x P:z P:z P:y D:x2-y2 D:xy P:y P:z P:y D:yz P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -5.048 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.67 0.80 0.80 1.33 1.33 1.33 0.80 1.33 50 53 48 76 78 81 53 78 48 76 7 10 34 16 36 50 75 107 19 5 64 46 31 10 39 O O O O O O O O O O W W O W O O O C W W O O O W O -11.056 2.00 973 A 5.51 4.81 4.51 4.08 3.27 2.90 2.74 2.15 1.87 1.80 1.58 1.39 1.38 1.33 1.28 1.25 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:x P:z P:z P:y P:y P:z P:x P:y P:x P:y P:y P:y S P:x S -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -5.048 -9.955 -6.581 -9.955 -6.581 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.67 1.33 1.00 1.33 1.00 76 78 77 75 77 50 81 48 76 75 78 76 107 74 168 79 128 O O O O O O O O O O O O C O H O H -10.910 2.00 974 A 3.33 2.87 2.82 2.41 2.37 2.28 2.07 2.04 1.82 1.70 1.68 1.66 1.54 1.52 1.48 1.47 1.39 1.38 1.34 1.33 1.32 1.27 1.25 1.24 1.12 1.11 1.09 1.06 1.06 1.00 1 1 1 1 1 3 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 1 1 1 1 P:x P:x P:x P:y P:x D:x2-y2 P:z P:x P:y D:xz P:z P:x P:z P:y P:y P:z P:y P:z P:x P:z P:x P:y P:y D:yz P:x D:x2-y2 P:z P:y P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 39 65 31 28 26 16 62 60 41 7 60 34 41 40 26 50 62 29 71 63 37 36 69 5 69 14 61 33 64 26 O O O O O W O O O W O O O O O O O O O O O O O W O W O O O O -10.903 2.00 975 A 3.88 3.50 3.35 2.97 2.87 2.79 2.69 2.13 1.88 1.63 1.59 1.56 1.55 1.55 1.49 1.38 1.36 1.36 1.35 1.31 1.29 1.23 1.22 1.11 1.05 1.05 1.04 1.03 1 1 1 3 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 P:x P:x P:x D:xy P:y P:y P:y P:y P:x D:z2 P:z P:y P:z P:x P:x P:z P:z P:x P:y P:z P:x P:x P:z P:z D:xz P:x P:x P:y -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 44 64 30 10 67 59 42 25 65 19 66 33 33 31 25 42 32 37 36 81 59 72 43 25 19 43 71 72 O O O W O O O O O W O O O O O O O O O O O O O O W O O O -10.867 2.00 976 A 3.09 2.57 2.24 2.08 1.90 1.85 1.79 1.71 1.60 1.59 1.55 1.55 1.52 1.49 1.46 1.38 1.37 1.36 1.33 1.33 1.17 1.12 1.11 1.08 1.07 1.05 1.04 1.02 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 1 1 1 1 1 1 1 1 3 1 1 1 P:x P:x P:y P:y P:x P:x P:z P:z P:x P:z P:x P:y P:x P:z D:x2-y2 P:y D:xy P:x P:y P:y P:z P:z P:z P:z P:y D:xy P:z P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 78 50 48 76 81 40 31 76 53 64 72 65 71 33 19 69 7 43 30 37 82 62 26 59 60 5 80 28 52 O O O O O O O O O O O O O O W O W O O O O O O O O W O O O -10.799 2.00 977 A 6.32 6.10 5.86 4.40 4.38 4.38 3.29 2.74 2.33 2.20 2.19 2.14 1.80 1.65 1.65 1.49 1.47 1.39 1.30 1.29 1.26 1.19 1.02 1 1 1 1 1 1 1 1 1 3 1 3 1 3 1 1 3 3 1 3 1 1 3 P:y P:y P:x P:y P:x P:x P:x P:y P:y D:x2-y2 P:y D:xy P:z D:x2-y2 P:y P:x D:x2-y2 D:xz P:z D:xz P:z P:z D:yz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 77 82 75 79 80 74 79 74 68 20 80 15 77 17 73 70 18 13 75 12 35 49 18 O O O O O O O O O W O W O W O O W W O W O O W -10.790 2.00 978 A 4.25 4.07 3.61 2.62 2.48 2.30 2.00 1.91 1.90 1.75 1.72 1.69 1.60 1.57 1.51 1.44 1.44 1.39 1.33 1.21 1.13 1.13 1.09 1.09 1.05 1.02 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 3 1 1 1 1 3 1 1 1 3 P:z P:z P:z P:z P:x P:z P:x P:y P:z P:z P:z D:z2 P:z P:y P:z P:z D:xy P:y P:x P:y P:x D:xz P:x P:z P:z D:yz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 79 77 81 82 74 49 75 53 51 74 68 15 48 46 45 26 13 60 80 51 76 17 73 46 73 19 O O O O O O O O O O O W O O O O W O O O O W O O O W -10.786 2.00 979 A 3.78 3.67 3.39 3.35 3.20 2.86 2.45 2.02 2.00 1.97 1.95 1.91 1.65 1.64 1.58 1.53 1.43 1.39 1.26 1.18 1.13 1.06 1.05 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 3 1 1 1 1 1 1 P:z P:y P:z P:z P:z P:z P:z P:y P:y P:z P:z P:z P:y D:yz P:z P:y P:y P:z D:yz P:y P:y P:z P:y P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 50 78 52 80 47 82 75 25 75 59 70 54 46 16 76 38 48 74 7 80 53 49 33 54 38 O O O O O O O O O O O O O W O O O O W O O O O O O -10.777 2.00 980 A 7.74 6.76 6.74 5.61 4.75 3.79 3.23 2.68 2.29 2.18 2.15 2.14 1.61 1.50 1.48 1.43 1.36 1.22 1.19 1.17 1.15 1.08 1.04 1.04 1.01 1.00 1 1 1 1 1 1 1 1 3 1 3 3 3 1 3 1 1 1 3 1 1 1 3 3 1 3 P:x P:x P:y P:x P:y P:y P:z P:x D:x2-y2 P:z D:xy D:xy D:xz P:x D:x2-y2 P:y P:y P:x D:yz P:x P:z P:x D:xz D:yz P:y D:x2-y2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 47 46 49 52 51 54 54 51 9 52 6 4 3 75 11 35 52 74 8 38 49 45 4 9 82 8 O O O O O O O O W O W W W O W O O O W O O O W W O W -10.683 2.00 981 A 4.70 4.49 4.22 4.10 3.98 3.67 3.55 3.47 3.30 3.17 2.97 2.83 2.33 2.31 2.30 2.18 2.08 2.01 1.96 1.83 1.80 1.69 1.63 1.60 1.56 1.52 1.45 1.17 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:y P:x P:x P:y P:y P:x P:y P:x P:x P:z P:z P:z P:y P:z P:y P:y P:y P:x P:y P:x P:z P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 70 38 63 29 73 68 66 45 61 35 32 27 46 47 35 68 61 51 27 49 73 32 74 66 75 52 45 54 70 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.649 2.00 982 A 5.69 4.88 4.63 4.25 4.25 3.38 2.47 2.43 2.06 1.83 1.77 1.64 1.53 1.47 1.47 1.47 1.47 1.41 1.39 1.38 1.30 1.21 1.14 1.10 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:z P:x P:y P:z P:x P:z P:y P:x P:x P:x P:y P:x P:x P:y P:z P:x P:x P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 50 53 76 78 48 81 26 24 60 59 37 41 28 58 31 69 25 30 52 72 62 64 65 33 51 O O O O O O O O O O O O O O O O O O O O O O O O O -10.644 2.00 983 A 4.06 3.18 3.12 2.85 2.85 2.66 2.35 2.04 2.00 1.83 1.77 1.76 1.75 1.74 1.72 1.64 1.48 1.43 1.40 1.38 1.28 1.25 1.23 1.20 1.17 1.14 1.04 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:y P:y P:z P:y P:z P:z P:z P:z P:y P:z P:y P:z P:y P:y P:y P:z P:z P:z P:z P:x P:y P:z P:y P:y P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 53 50 78 48 81 50 48 76 53 64 30 31 33 28 76 24 65 39 24 67 44 72 44 78 81 62 43 40 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.629 2.00 984 A 3.03 2.57 2.21 2.18 1.72 1.66 1.51 1.40 1.36 1.35 1.31 1.28 1.22 1.21 1.15 1.12 1.11 1.07 1.07 1.07 1.06 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:y P:z P:y P:x P:x P:x P:x P:z P:x P:z P:z P:z P:x P:z P:z P:x P:y P:y P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 53 50 81 78 76 34 36 35 68 55 33 76 25 56 61 24 23 81 21 31 28 62 48 O O O O O O O O O O O O O O O O O O O O O O O -10.621 2.00 985 A 2.65 2.41 2.27 2.12 2.02 1.99 1.96 1.91 1.90 1.83 1.80 1.74 1.66 1.61 1.56 1.54 1.53 1.52 1.46 1.46 1.44 1.41 1.36 1.35 1.34 1.33 1.24 1.23 1.17 1.17 1.16 1.14 1.13 1.10 1.10 1.09 1.05 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:z P:z P:z P:x P:x P:y P:z P:y P:x P:z P:z P:x P:y P:z P:x P:z P:z P:z P:z P:x P:y P:z P:z P:y P:z P:y P:y P:z P:y P:x P:y P:x P:y P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 53 78 76 33 31 64 40 81 30 36 65 71 59 62 72 48 34 50 39 42 49 48 43 28 41 44 37 76 46 42 26 75 67 67 25 60 82 79 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.591 2.00 986 A 3.06 2.94 2.88 2.85 2.83 2.69 2.68 2.29 2.29 2.29 2.28 2.16 2.08 2.02 2.01 1.96 1.93 1.90 1.87 1.79 1.60 1.60 1.57 1.43 1.37 1.37 1.36 1.23 1.12 1.09 1.08 1.08 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:y P:y P:y P:y P:y P:z P:x P:z P:z P:x P:x P:z P:z P:z P:y P:z P:y P:x P:z P:y P:y P:z P:x P:z P:x P:z P:x P:y P:y P:x P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 78 81 56 22 58 24 50 22 23 55 57 49 21 58 53 56 52 23 57 54 24 80 55 21 79 51 51 77 77 82 79 82 52 79 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.590 2.00 987 A 4.96 4.91 3.52 3.04 2.91 2.89 2.84 2.76 2.69 2.50 2.46 2.40 2.31 2.21 2.20 1.96 1.76 1.75 1.74 1.64 1.53 1.51 1.34 1.30 1.22 1.22 1.20 1.14 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:x P:z P:y P:x P:x P:x P:z P:z P:z P:z P:z P:y P:x P:y P:y P:x P:x P:x P:x P:x P:x P:x P:z P:x P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 58 24 23 48 21 47 76 55 81 75 22 46 57 56 74 57 22 55 21 82 54 78 50 77 56 76 49 23 56 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.523 2.00 988 A 2.97 2.50 2.45 2.43 2.27 2.17 1.94 1.80 1.80 1.78 1.73 1.68 1.55 1.55 1.54 1.39 1.38 1.38 1.28 1.25 1.25 1.25 1.25 1.23 1.16 1.14 1.13 1.11 1.09 1.09 1.02 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:x P:z P:y P:y P:z P:z P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 78 50 75 56 80 57 47 79 53 52 21 24 81 48 77 23 46 22 76 58 82 51 54 49 77 50 55 74 81 75 55 57 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.520 2.00 989 A 3.23 3.17 3.13 3.05 2.92 2.85 2.63 2.61 2.58 2.36 2.34 2.33 2.28 2.28 2.20 2.10 2.07 2.02 2.01 1.99 1.78 1.76 1.65 1.65 1.46 1.40 1.39 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 82 76 55 77 48 57 53 49 54 23 74 79 51 22 81 46 21 75 24 56 47 78 52 50 80 58 81 56 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.477 2.00 990 A 4.88 4.40 3.88 3.40 3.34 3.26 2.67 2.27 2.17 2.11 1.89 1.82 1.82 1.81 1.79 1.61 1.56 1.45 1.44 1.34 1.30 1.21 1.18 1.18 1.16 1.15 1.08 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:y P:y P:z P:y P:x P:z P:y P:y P:x P:z P:z P:x P:z P:y P:z P:y P:x P:y P:y P:z P:y P:x P:z P:y P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 58 78 24 50 22 56 23 58 55 81 57 51 24 49 21 57 53 80 77 22 75 52 82 79 55 79 76 47 23 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.472 2.00 991 A 6.94 5.69 3.70 3.09 2.96 2.86 2.85 2.54 2.38 2.35 2.29 2.09 1.91 1.88 1.77 1.72 1.48 1.40 1.35 1.29 1.21 1.16 1.15 1.15 1.12 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:y P:y P:z P:x P:z P:z P:z P:y P:z P:y P:x P:z P:x P:y P:z P:x P:z P:y P:z P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 58 24 21 55 22 23 56 54 76 57 53 47 75 52 82 80 81 81 79 48 46 51 48 21 74 48 O O O O O O O O O O O O O O O O O O O O O O O O O O -10.460 2.00 992 A 3.14 2.96 2.90 2.62 2.51 2.51 2.51 2.42 2.36 2.34 2.09 2.05 2.05 1.95 1.83 1.75 1.61 1.53 1.42 1.38 1.37 1.36 1.30 1.29 1.27 1.25 1.16 1.09 1.05 1.03 1.02 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 P:x P:x P:x P:x P:x P:x P:x P:y P:x P:x P:y P:x P:y P:y P:x P:y P:x P:z P:y P:z P:y P:z P:z P:z P:x P:x P:y P:y P:y D:xz P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 38 70 29 45 63 44 39 35 73 32 68 66 27 61 31 33 30 35 42 61 36 27 68 28 64 65 25 62 32 4 45 41 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O W O O -10.354 2.00 993 A 4.34 4.05 3.72 3.60 2.44 2.30 2.26 2.25 2.21 2.14 2.10 1.98 1.86 1.79 1.77 1.62 1.55 1.53 1.48 1.47 1.38 1.33 1.29 1.28 1.26 1.17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y P:y P:z P:y P:z P:z P:y P:y P:z P:y P:z P:z P:y P:z P:x P:x P:x P:x P:z P:z P:y P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 51 46 79 74 22 80 52 56 75 56 47 55 57 22 23 21 77 74 55 21 79 82 21 55 49 54 O O O O O O O O O O O O O O O O O O O O O O O O O O -10.353 2.00 994 A 4.32 4.07 3.93 3.76 3.66 3.43 3.01 2.58 2.49 2.37 2.37 2.02 1.99 1.96 1.91 1.85 1.78 1.56 1.53 1.51 1.46 1.46 1.40 1.35 1.27 1.14 1.04 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:y P:x P:x P:x P:y P:x P:y P:x P:x P:x P:x P:y P:z P:x P:y P:y P:z P:x P:y P:z P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 23 49 57 54 21 55 47 77 22 75 52 82 77 47 56 46 80 23 75 74 56 82 80 52 57 49 51 79 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.279 2.00 995 A 3.00 2.93 2.48 2.29 2.24 1.96 1.92 1.91 1.90 1.88 1.87 1.83 1.69 1.66 1.60 1.40 1.37 1.36 1.33 1.30 1.30 1.24 1.22 1.16 1.15 1.15 1.13 1.10 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:x P:z P:y P:z P:y P:z P:z P:z P:y P:x P:z P:z P:z P:z P:y P:z P:y P:x P:y P:z P:y P:z P:z P:y P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 70 73 68 38 29 32 45 21 63 57 66 27 22 24 58 23 22 56 55 61 23 55 54 49 47 46 35 24 56 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.216 2.00 996 A 2.17 2.12 2.04 1.92 1.87 1.82 1.80 1.79 1.73 1.69 1.60 1.58 1.56 1.56 1.54 1.53 1.51 1.43 1.35 1.25 1.22 1.13 1.13 1.12 1.09 1.08 1.06 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z P:z P:x P:y P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:y P:y P:y P:y P:y P:y P:y P:y P:y P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 61 68 82 80 35 63 75 74 47 49 52 46 54 66 79 77 51 27 77 79 70 46 54 47 51 75 49 50 52 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.194 2.00 997 A 2.31 2.13 1.98 1.92 1.91 1.90 1.85 1.75 1.74 1.69 1.65 1.63 1.63 1.62 1.61 1.60 1.60 1.57 1.54 1.52 1.50 1.47 1.46 1.42 1.40 1.38 1.36 1.35 1.27 1.24 1.16 1.10 1.06 1.05 1.04 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:x P:z P:y P:y P:y P:x P:x P:z P:y P:z P:z P:y P:x P:z P:y P:z P:x P:y P:y P:y P:x P:y P:z P:x P:x P:x P:x P:y P:z P:x P:z P:x P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 39 43 44 29 38 33 40 41 35 66 78 28 71 36 30 45 62 81 31 63 34 32 37 25 67 27 65 61 42 72 26 60 70 69 50 73 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.156 2.00 998 A 4.99 4.96 4.61 4.27 3.95 3.78 3.45 3.38 2.81 2.77 2.45 2.43 2.41 2.20 2.09 1.85 1.60 1.45 1.30 1.29 1.21 1.21 1.17 1.11 1.10 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 3 1 1 1 3 3 1 1 1 1 P:z P:z P:z P:x P:y P:z P:y P:y P:y P:x P:x P:z P:y D:yz P:y D:x2-y2 D:xz P:z P:x P:x D:yz D:x2-y2 P:x P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 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32 66 10 40 71 19 29 72 63 31 63 65 69 37 67 64 27 33 30 61 37 O O O O O O W O O W O O O O O O O O O O O O O O O -9.977 2.00 1000 A 5.81 5.59 4.72 4.57 4.29 3.91 3.78 3.75 3.42 2.39 2.26 2.14 2.05 1.74 1.65 1.45 1.43 1.26 1.24 1.23 1.22 1.18 1.08 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:x P:z P:x P:x P:y P:z P:y P:z P:y P:x P:z P:y P:x P:z P:z P:x P:x P:y P:x P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 68 70 27 73 35 61 45 38 29 32 66 45 63 63 66 21 57 73 38 38 32 22 55 35 O O O O O O O O O O O O O O O O O O O O O O O O -9.803 2.00 1001 A 2.80 2.63 2.54 2.40 2.33 2.06 1.96 1.88 1.87 1.77 1.64 1.61 1.59 1.54 1.52 1.44 1.44 1.44 1.43 1.43 1.43 1.35 1.34 1.34 1.33 1.30 1.28 1.26 1.22 1.18 1.15 1.13 1.12 1.11 1.11 1.08 1.06 1.06 1.05 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:x P:y P:z P:x P:x P:y P:x P:z P:y P:z P:z P:y P:y P:x P:x P:z P:y P:z P:y P:y P:y P:x P:y P:x P:x P:z P:x P:y P:z P:z P:z P:x P:y P:y P:z P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 40 71 35 51 55 68 46 38 33 79 21 37 25 59 58 44 24 21 24 56 49 70 42 58 31 67 74 30 36 76 78 48 77 34 64 82 70 65 50 22 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.802 2.00 1002 A 4.85 4.16 4.00 2.91 2.85 2.47 2.36 2.34 2.21 1.86 1.80 1.78 1.69 1.62 1.60 1.57 1.54 1.43 1.32 1.32 1.29 1.27 1.26 1.23 1.21 1.16 1.11 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y P:y P:x P:x P:x P:z P:z P:x P:x P:x P:y P:x P:z P:y P:x P:x P:y P:z P:z P:x P:x P:z P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 45 72 73 26 43 47 28 73 60 23 75 34 58 41 24 43 49 39 62 57 76 77 45 61 22 62 52 57 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.801 2.00 1003 A 5.82 4.94 4.65 3.60 2.61 2.54 2.25 2.15 1.93 1.90 1.89 1.82 1.80 1.73 1.73 1.61 1.51 1.50 1.46 1.33 1.31 1.27 1.24 1.22 1.22 1.20 1.20 1.14 1.07 1.06 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:z P:z P:x P:y P:z P:z P:z P:z P:z P:y P:y P:y P:y P:z P:z P:z P:y P:z P:z P:z P:x P:z P:z P:y P:z P:x P:z P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 38 35 70 66 68 32 29 45 68 30 65 63 31 64 68 27 61 69 73 37 67 71 36 35 40 27 25 70 54 52 37 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.720 2.00 1004 A 4.53 4.38 3.61 3.58 3.34 3.10 2.32 2.25 2.11 1.99 1.76 1.72 1.71 1.63 1.62 1.59 1.45 1.45 1.37 1.35 1.32 1.31 1.23 1.21 1.18 1.17 1.15 1.10 1.07 1.02 1.02 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:y P:y P:z P:x P:z P:x P:x P:y P:y P:x P:x P:y P:x P:y P:x P:x P:x P:x P:x P:y P:y P:y P:y P:x P:x P:x P:z P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 55 21 23 57 56 22 56 36 22 34 42 39 23 50 78 57 77 44 82 41 81 49 53 76 75 31 48 54 33 51 44 46 28 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.693 2.00 1005 A 5.30 5.29 4.19 4.01 3.86 3.39 2.71 2.25 2.21 1.97 1.82 1.81 1.72 1.61 1.58 1.49 1.48 1.47 1.46 1.34 1.32 1.22 1.22 1.22 1.20 1.17 1.13 1.12 1.09 1.07 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:z P:y P:z P:y P:z P:z P:x P:y P:x P:x P:y P:z P:y P:x P:z P:x P:x P:z P:x P:y P:x P:y P:z P:y P:y P:y P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 45 70 38 68 73 35 68 38 73 31 35 30 65 33 81 78 37 50 64 60 28 35 62 69 25 67 53 45 40 26 70 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.685 2.00 1006 A 3.42 3.42 3.24 3.23 3.18 2.84 2.78 2.49 2.43 2.38 2.16 2.13 2.03 2.03 2.01 1.90 1.66 1.60 1.57 1.53 1.52 1.41 1.37 1.33 1.31 1.27 1.25 1.16 1.11 1.10 1.08 1.06 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:z P:y P:z P:y P:y P:z P:y P:x P:z P:z P:z P:z P:y P:x P:z P:x P:y P:z P:z P:z P:y P:z P:y P:z P:y P:z P:x P:y P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 73 38 29 32 70 63 45 71 72 66 27 58 24 40 35 43 69 55 68 35 23 68 61 24 22 58 56 61 57 28 21 21 33 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.594 2.00 1007 A 3.63 3.62 3.51 3.12 2.85 2.85 2.73 2.22 2.18 2.12 2.07 1.88 1.80 1.71 1.67 1.59 1.59 1.54 1.48 1.47 1.47 1.45 1.36 1.35 1.32 1.31 1.29 1.26 1.21 1.15 1.10 1.05 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:y P:z P:z P:x P:x P:x P:x P:z P:z P:z P:z P:z P:y P:y P:y P:z P:x P:z P:y P:y P:z P:z P:z P:y P:y P:x P:y P:z P:z P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 71 40 51 79 37 69 68 35 46 22 56 69 74 65 37 64 74 46 81 21 70 31 55 30 48 69 56 53 22 50 52 47 76 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.593 2.00 1008 A 6.28 3.85 3.79 3.38 2.95 2.85 2.62 2.39 2.31 2.14 2.09 1.93 1.80 1.74 1.62 1.48 1.46 1.44 1.38 1.32 1.32 1.30 1.21 1.17 1.13 1.12 1.07 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y P:z P:z P:y P:z P:z P:y P:y P:z P:y P:z P:y P:x P:y P:z P:y P:y P:x P:x P:z P:y P:x P:x P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 72 54 43 49 77 52 82 23 57 71 80 73 45 40 48 47 26 76 57 23 43 50 60 62 45 28 75 78 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.572 2.00 1009 A 5.45 4.14 3.95 3.93 3.33 3.22 3.17 2.82 2.33 2.14 2.12 2.08 2.08 2.01 1.95 1.68 1.47 1.35 1.31 1.31 1.26 1.18 1.17 1.16 1.10 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:y P:x P:y P:x P:z P:y P:y P:x P:x P:z P:z P:z P:z P:y P:z P:x P:y P:x P:x P:y P:z P:x P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 41 72 43 39 62 60 28 34 37 31 26 26 69 65 34 73 45 35 31 44 65 64 43 68 37 30 O O O O O O O O O O O O O O O O O O O O O O O O O O -9.570 2.00 1010 A 4.97 4.58 3.75 3.39 3.38 3.14 3.00 2.78 2.35 2.34 2.14 2.11 2.04 1.81 1.79 1.66 1.53 1.42 1.39 1.38 1.37 1.33 1.26 1.24 1.22 1.20 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:y P:y P:z P:y P:x P:x P:z P:y P:y P:y P:z P:x P:y P:y P:x P:z P:z P:z P:y P:x P:y P:z P:x P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 40 42 71 33 67 36 59 44 37 25 38 64 36 25 42 44 30 70 59 30 69 35 34 71 39 68 62 O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.436 2.00 1011 A 6.01 5.57 4.97 4.72 4.63 4.45 3.34 3.24 3.17 2.75 2.49 2.39 2.39 2.25 1.99 1.88 1.69 1.48 1.26 1.21 1.15 1.06 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 3 1 P:x P:x P:x P:x P:y P:y P:z P:y P:z P:z P:y P:x P:z P:y P:y P:x P:x P:x D:xz P:y P:x D:z2 P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 31 30 64 65 33 25 28 62 26 67 60 60 59 67 59 26 62 59 4 28 28 9 25 O O O O O O O O O O O O O O O O O O W O O W O -9.394 2.00 1012 A 5.68 4.26 4.19 4.08 3.71 3.29 2.34 2.24 2.17 2.14 2.03 1.84 1.83 1.73 1.67 1.64 1.63 1.49 1.43 1.40 1.31 1.29 1.26 1.23 1.20 1.19 1.17 1.17 1.17 1.16 1.12 1.06 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:x P:y P:z P:z P:x P:z P:x P:y P:x P:z P:z P:x P:z P:x P:z P:z P:x P:y P:z P:y P:z P:z P:z P:y P:y P:x P:x P:y P:y P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 42 44 34 55 21 44 81 25 36 59 53 82 22 64 42 33 74 80 56 54 30 46 46 79 56 22 41 67 30 76 81 64 51 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.391 2.00 1013 A 5.34 5.34 4.76 3.99 3.03 2.93 2.63 2.61 2.56 2.47 2.30 2.26 2.13 1.77 1.71 1.67 1.56 1.54 1.52 1.48 1.38 1.36 1.26 1.25 1.19 1.18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:y P:x P:x P:y P:x P:y P:z P:y P:x P:x P:z P:z P:x P:y P:z P:y P:y P:y P:z P:z P:z P:x P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 57 36 39 41 34 23 50 26 39 41 78 28 49 47 62 48 60 77 34 31 76 22 75 65 66 23 O O O O O O O O O O O O O O O O O O O O O O O O O O -9.383 2.00 1014 A 7.20 7.09 6.04 5.81 5.80 5.13 3.37 3.20 2.80 2.59 2.02 1.84 1.80 1.80 1.79 1.57 1.44 1.36 1.29 1.28 1.28 1.12 1.11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:x P:x P:y P:z P:z P:y P:y P:y P:z P:y P:y P:z P:z P:y P:z P:x P:x P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 21 55 22 23 57 56 22 56 57 23 47 75 52 74 46 51 79 80 49 54 55 21 30 O O O O O O O O O O O O O O O O O O O O O O O -9.350 2.00 1015 A 6.08 5.83 4.37 4.25 3.97 3.79 3.31 2.45 2.34 2.12 1.84 1.71 1.65 1.43 1.37 1.28 1.25 1.19 1.15 1.08 1.03 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y P:x P:x P:x P:x P:x P:x P:x P:x P:y P:y P:x P:y P:z P:y P:y P:z P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 72 73 43 45 68 75 35 52 45 47 43 37 48 35 78 52 35 49 62 80 77 81 O O O O O O O O O O O O O O O O O O O O O O -9.348 2.00 1016 A 8.51 6.23 3.82 3.66 3.59 3.36 3.33 2.75 2.05 1.92 1.75 1.64 1.64 1.53 1.31 1.30 1.20 1.12 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:x P:x P:y P:x P:x P:z P:y P:x P:y P:x P:z P:z P:z P:y P:y P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 70 38 74 68 71 69 46 40 78 35 79 38 37 82 50 54 64 53 21 O O O O O O O O O O O O O O O O O O O -9.346 2.00 1017 A 5.01 4.91 4.33 3.99 3.81 3.27 3.12 3.00 2.92 2.71 2.67 2.65 2.36 2.18 1.76 1.73 1.73 1.72 1.72 1.61 1.54 1.52 1.48 1.40 1.34 1.26 1.12 1.09 1.08 1.04 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:z P:z P:z P:z P:z P:y P:z P:y P:y P:y P:z P:y P:z P:x P:y P:y P:z P:z P:y P:z P:y P:y P:y P:x P:y P:x P:y D:yz D:yz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 11.981 11.981 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 71 40 23 24 21 22 56 58 56 55 58 57 55 57 24 72 69 21 23 69 37 37 73 43 22 31 33 45 37 59 2 1 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O P P -9.338 2.00 1018 A 4.95 4.36 3.49 3.11 2.88 2.30 2.26 2.08 2.08 2.03 1.96 1.94 1.92 1.70 1.51 1.47 1.47 1.36 1.35 1.28 1.27 1.23 1.16 1.14 1.14 1.08 1.07 1.06 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:z P:x P:y P:y P:x P:y P:x P:z P:z P:z P:z P:y P:z P:x P:x P:x P:x P:y P:y P:y P:y P:y P:z P:x P:y P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 40 41 71 39 63 64 47 78 80 50 28 29 30 31 65 69 60 28 46 34 44 72 62 54 54 37 53 43 74 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.336 2.00 1019 A 3.83 3.57 3.17 3.12 2.52 2.48 2.42 2.41 2.26 1.93 1.93 1.77 1.71 1.67 1.64 1.60 1.54 1.51 1.49 1.47 1.44 1.42 1.20 1.15 1.14 1.13 1.09 1.08 1.06 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:z P:z P:y P:x P:x P:z P:z P:z P:y P:y P:z P:z P:x P:y P:z P:z P:x P:y P:x P:y P:x P:z P:x P:x P:x P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 42 37 69 43 67 72 72 44 81 66 25 32 36 65 36 59 77 48 77 33 34 61 49 21 34 51 43 79 51 75 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.189 2.00 1020 A 7.23 5.65 4.67 3.48 3.26 2.90 2.44 2.37 1.85 1.84 1.80 1.80 1.74 1.58 1.56 1.52 1.50 1.44 1.44 1.41 1.30 1.25 1.25 1.25 1.15 1.11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:x P:x P:z P:z P:x P:x P:x P:z P:x P:x P:y P:y P:y P:z P:x P:x P:z P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 34 44 36 28 37 62 69 64 43 30 55 21 30 44 39 42 72 64 42 42 72 33 81 57 23 27 O O O O O O O O O O O O O O O O O O O O O O O O O O -9.187 2.00 1021 A 5.04 3.67 3.46 3.17 2.85 2.72 2.70 2.61 2.34 2.19 2.19 2.04 2.04 2.00 1.84 1.67 1.56 1.47 1.46 1.42 1.42 1.28 1.28 1.22 1.20 1.13 1.10 1.10 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:x P:y P:z P:x P:y P:z P:x P:z P:y P:z P:z P:y P:x P:y P:y P:z P:y P:z P:y P:z P:y P:z P:y P:x P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 41 39 40 42 39 26 41 36 59 71 33 42 31 25 60 36 67 56 78 63 29 39 70 65 71 50 57 65 60 38 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.138 2.00 1022 A 4.29 4.09 4.08 3.50 3.15 2.90 2.83 2.68 2.64 2.63 2.49 2.38 2.34 2.28 2.14 1.95 1.95 1.89 1.82 1.70 1.59 1.55 1.46 1.12 1.10 1.07 1.07 1.06 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:x P:y P:z P:z P:x P:x P:y P:z P:x P:y P:y P:x P:x P:z P:y P:y P:y P:z P:y P:z P:z P:x P:z P:y P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 29 32 63 27 66 61 45 47 75 38 70 74 77 61 46 35 27 73 49 54 82 79 49 80 54 68 52 51 68 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.114 2.00 1023 A 10.66 7.54 4.17 2.91 2.81 2.76 2.65 2.53 2.33 2.05 2.05 1.88 1.65 1.57 1.52 1.47 1.44 1.44 1.41 1.36 1.32 1.32 1.26 1.15 1.06 1.05 1.03 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:y P:x P:y P:z P:x P:x P:y P:z P:y P:z P:z P:z P:z P:z P:x P:x P:x P:z P:x P:x P:x P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 61 27 76 33 39 48 48 36 82 48 28 34 49 54 77 72 76 77 35 73 46 67 41 82 66 32 62 32 42 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.114 2.00 1024 A 4.97 4.38 3.81 3.22 3.17 2.55 2.51 2.47 2.13 1.92 1.87 1.78 1.64 1.57 1.54 1.54 1.40 1.38 1.37 1.35 1.34 1.33 1.28 1.27 1.26 1.25 1.24 1.21 1.15 1.08 1.08 1.05 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:z P:z P:x P:y P:z P:y P:x P:y P:y P:x P:x P:z P:x P:z P:z P:z P:z P:x P:x P:y P:x P:z P:y P:y P:x P:z P:z P:y P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 29 63 78 50 63 44 66 38 31 75 70 36 47 53 29 80 52 65 73 32 63 42 34 60 66 80 26 50 34 30 45 39 36 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.109 2.00 1025 A 4.90 4.60 3.82 3.75 2.99 2.50 2.27 2.27 2.23 2.21 2.04 1.95 1.94 1.92 1.90 1.88 1.65 1.63 1.42 1.32 1.31 1.23 1.18 1.09 1.08 1.07 1.06 1.05 1.05 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:x P:x P:z P:y P:y P:x P:x P:x P:y P:z P:x P:y P:z P:z P:y P:z P:z P:y P:y P:x P:y P:y P:z P:y P:y P:z P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 53 50 76 27 81 78 63 53 75 74 54 40 66 66 49 69 79 66 30 31 41 25 42 43 63 69 71 76 25 67 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.108 2.00 1026 A 6.57 5.24 4.32 3.75 3.24 2.61 2.52 2.30 2.28 2.27 2.07 1.94 1.93 1.83 1.79 1.68 1.65 1.42 1.41 1.33 1.32 1.24 1.20 1.08 1.05 1.03 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:x P:z P:y P:x P:x P:z P:z P:y P:z P:y P:x P:y P:x P:x P:z P:z P:z P:x P:y P:y P:x P:x P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 29 78 47 27 52 65 53 61 75 63 82 54 80 52 60 77 80 29 60 37 47 74 31 62 33 23 29 81 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.104 2.00 1027 A 6.81 5.48 5.27 3.83 3.49 3.38 2.90 2.59 2.59 2.55 2.44 2.34 2.27 2.14 2.09 1.71 1.62 1.43 1.39 1.35 1.28 1.23 1.16 1.13 1.10 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:x P:y P:x P:x P:x P:x P:y P:z P:y P:x P:y P:y P:y P:y P:x P:z P:y P:z P:x P:x P:x P:z P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 32 81 46 64 32 51 59 74 32 51 79 61 77 66 46 51 75 50 59 30 66 28 21 25 27 48 O O O O O O O O O O O O O O O O O O O O O O O O O O -9.042 2.00 1028 A 4.13 4.02 3.64 3.41 3.26 3.03 2.48 2.39 2.24 2.20 2.15 2.14 2.12 2.09 1.96 1.85 1.60 1.60 1.55 1.47 1.45 1.41 1.35 1.31 1.18 1.14 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:y P:y P:x P:y P:z P:z P:z P:x P:x P:y P:y P:z P:z P:y P:x P:x P:x P:y P:z P:y P:y P:x P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 46 47 74 51 49 75 80 54 79 52 68 61 70 82 77 73 45 27 82 35 63 38 79 77 80 66 54 O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.004 2.00 1029 A 4.67 4.11 4.00 3.77 3.66 3.52 3.36 3.19 3.17 2.97 2.82 2.71 2.57 2.50 2.09 2.07 1.72 1.66 1.59 1.59 1.54 1.36 1.32 1.28 1.25 1.21 1.21 1.20 1.18 1.17 1.09 1.06 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:y P:x P:x P:z P:z P:y P:z P:y P:z P:y P:z P:x P:x P:y P:x P:x P:x P:z P:y P:z P:y P:z P:y P:x P:y P:y P:z P:y P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 33 61 27 31 76 67 54 77 49 50 78 65 82 48 48 28 29 81 53 82 52 65 67 75 47 80 62 64 53 30 62 63 77 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.003 2.00 1030 A 4.15 3.88 3.44 3.33 2.98 2.82 2.56 2.52 2.45 2.36 2.36 2.26 2.23 2.18 2.14 1.97 1.86 1.78 1.68 1.64 1.63 1.55 1.51 1.50 1.45 1.42 1.36 1.27 1.23 1.22 1.20 1.18 1.14 1.10 1.09 1.07 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:y P:x P:x P:z P:x P:x P:z P:z P:x P:z P:z P:x P:y P:y P:y P:x P:z P:x P:z P:y P:x P:x P:y P:y P:y P:x P:x P:y P:z P:y P:y P:y P:z P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 26 50 48 28 47 52 62 78 60 79 60 81 76 75 51 80 78 59 25 46 32 53 26 53 66 29 76 25 74 63 82 77 62 59 30 64 66 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.993 2.00 1031 A 5.08 3.45 3.26 2.92 2.83 2.77 2.76 2.58 2.54 2.30 2.24 2.24 2.07 2.05 1.77 1.72 1.63 1.49 1.47 1.45 1.41 1.40 1.37 1.32 1.32 1.32 1.17 1.12 1.11 1.10 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y P:y P:z P:y P:x P:z P:z P:y P:y P:z P:z P:x P:y P:x P:y P:y P:z P:x P:x P:x P:z P:z P:x P:x P:x P:z P:x P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 66 81 51 64 53 29 63 46 79 30 78 31 65 50 74 32 59 49 80 27 61 76 27 52 25 47 33 32 54 53 27 28 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.987 2.00 1032 A 5.37 5.17 4.99 4.84 2.68 2.20 2.17 2.11 1.94 1.91 1.91 1.72 1.69 1.65 1.54 1.28 1.28 1.26 1.24 1.23 1.19 1.16 1.13 1.09 1.08 1.05 1.05 1.04 1.04 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:y P:z P:y P:z P:z P:z P:x P:y P:y P:z P:y P:y P:y P:z P:z P:x P:y P:y P:z P:z P:z P:z P:y P:y P:y P:z P:x P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 70 38 63 29 40 71 38 21 36 42 33 35 25 55 68 68 27 44 58 24 67 42 55 63 36 69 27 56 61 59 22 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.985 2.00 1033 A 4.75 4.70 3.70 3.36 2.40 2.37 2.23 1.96 1.94 1.77 1.72 1.69 1.63 1.61 1.61 1.59 1.56 1.53 1.42 1.41 1.36 1.36 1.33 1.25 1.24 1.24 1.22 1.22 1.21 1.21 1.20 1.16 1.14 1.12 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:y P:z P:x P:z P:z P:z P:z P:x P:y P:z P:z P:x P:x P:x P:x P:x P:y P:z P:x P:y P:x P:x P:y P:x P:y P:z P:z P:z P:z P:z P:y P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 32 45 73 66 34 68 35 73 43 61 35 61 57 24 44 39 32 37 72 27 58 62 30 65 23 31 41 69 22 28 41 23 68 72 56 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.951 2.00 1034 A 3.73 3.33 3.31 3.04 2.99 2.97 2.69 2.57 2.35 2.29 2.15 2.08 2.03 1.99 1.90 1.89 1.84 1.83 1.76 1.72 1.62 1.58 1.57 1.56 1.56 1.54 1.53 1.50 1.47 1.45 1.41 1.36 1.34 1.31 1.30 1.27 1.23 1.20 1.05 1.04 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:z P:y P:z P:y P:y P:z P:z P:y P:y P:x P:y P:z P:x P:z P:z P:x P:z P:x P:x P:y P:y P:z P:x P:x P:z P:x P:z P:z P:y P:x P:x P:x P:y P:x P:x P:x P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 71 76 48 72 70 73 43 45 40 38 58 24 78 77 76 50 48 82 53 49 39 81 40 54 58 44 43 57 67 24 21 23 74 47 75 55 33 28 46 72 72 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.949 2.00 1035 A 6.14 5.28 3.77 3.13 3.11 2.95 1.93 1.88 1.88 1.85 1.71 1.70 1.64 1.60 1.56 1.40 1.38 1.38 1.28 1.24 1.14 1.12 1.06 1.06 1.05 1.01 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:y P:z P:x P:y P:y P:x P:x P:x P:z P:z P:y P:z P:x P:y P:y P:y P:z P:z P:y P:z P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 69 37 58 24 68 78 79 80 53 53 81 81 50 35 35 65 35 51 59 70 52 71 38 22 22 68 25 30 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.938 2.00 1036 A 4.37 3.86 3.63 3.56 3.53 3.36 3.26 2.95 2.62 2.46 2.30 2.27 2.21 2.21 2.18 2.04 1.74 1.69 1.68 1.60 1.59 1.54 1.50 1.47 1.45 1.44 1.22 1.10 1.08 1.07 1.07 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:y P:z P:y P:y P:x P:z P:x P:y P:x P:y P:y P:z P:z P:z P:y P:z P:z P:z P:z P:z P:z P:y P:z P:x P:y P:x P:y P:y P:z P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 64 33 31 30 76 48 28 65 67 58 62 63 24 76 48 66 32 74 49 29 24 58 67 62 82 81 54 50 53 77 47 32 75 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.936 2.00 1037 A 4.07 3.98 3.96 3.55 3.52 3.52 3.35 3.24 3.10 2.67 2.55 2.40 2.29 2.13 2.07 2.00 1.86 1.80 1.62 1.45 1.23 1.20 1.18 1.16 1.16 1.13 1.12 1.05 1.05 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:x P:x P:x P:z P:x P:x P:x P:x P:x P:z P:x P:x P:y P:z P:z P:y P:y P:x P:z P:z P:y P:z P:y P:z P:y P:z P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 50 26 24 61 58 25 53 59 78 81 27 60 60 25 59 79 52 81 31 26 30 77 51 54 80 78 49 65 82 51 67 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.889 2.00 1038 A 3.80 2.85 2.83 2.51 2.27 2.13 2.03 1.98 1.93 1.91 1.84 1.81 1.81 1.78 1.66 1.55 1.55 1.54 1.51 1.51 1.50 1.33 1.32 1.30 1.28 1.24 1.22 1.19 1.18 1.17 1.14 1.11 1.09 1.09 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:y P:y P:z P:y P:x P:y P:y P:z P:y P:y P:x P:z P:x P:x P:z P:y P:y P:y P:z P:z P:y P:y P:x P:x P:y P:z P:y P:x P:z P:z P:z P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 52 44 80 29 54 62 42 82 25 63 41 70 30 40 46 47 47 71 33 64 28 75 24 75 64 34 39 38 58 74 41 59 34 34 81 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.888 2.00 1039 A 3.98 3.33 3.27 2.67 2.63 2.45 2.23 2.12 2.00 1.92 1.80 1.75 1.69 1.64 1.52 1.50 1.41 1.39 1.38 1.34 1.28 1.28 1.28 1.24 1.22 1.22 1.22 1.19 1.18 1.17 1.14 1.08 1.06 1.05 1.03 1.02 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:z P:x P:z P:x P:x P:z P:y P:x P:y P:x P:z P:y P:x P:z P:z P:x P:x P:z P:z P:x P:z P:x P:z P:x P:y P:x P:x P:x P:x P:x P:y P:z P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 51 49 79 39 77 31 41 32 42 65 66 24 74 36 58 72 26 60 34 73 67 68 54 36 42 59 33 27 25 50 47 26 60 46 62 78 46 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.832 2.00 1040 A 3.82 3.69 3.66 3.44 3.07 3.03 2.91 2.85 2.76 2.58 2.50 2.49 2.37 2.28 2.20 2.19 2.17 1.94 1.94 1.90 1.82 1.75 1.71 1.68 1.58 1.56 1.53 1.48 1.43 1.37 1.36 1.36 1.35 1.28 1.25 1.22 1.12 1.08 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:z P:y P:x P:x P:x P:y P:z P:x P:x P:x P:y P:x P:x P:z P:y P:z P:x P:y P:x P:x P:y P:z P:x P:z P:x P:x P:z P:y P:y P:z P:y P:y P:z P:z P:x P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 64 55 65 31 57 21 59 56 30 33 23 60 62 78 28 67 22 56 67 26 81 50 76 25 62 60 25 53 22 48 75 74 57 59 47 28 26 23 76 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.796 2.00 1041 A 4.86 3.64 3.42 2.88 2.85 2.78 2.40 2.36 2.32 2.07 2.00 1.98 1.93 1.83 1.75 1.74 1.67 1.65 1.61 1.58 1.55 1.55 1.50 1.47 1.45 1.43 1.36 1.35 1.30 1.23 1.18 1.13 1.12 1.08 1.05 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:x P:x P:x P:z P:y P:z P:x P:x P:z P:y P:y P:y P:z P:y P:x P:x P:x P:z P:z P:y P:y P:y P:y P:z P:y P:x P:z P:y P:z P:z P:x P:x P:x P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 28 31 62 21 53 25 48 30 23 55 65 59 22 64 67 65 25 81 57 50 22 56 75 54 26 76 78 59 47 23 82 56 33 51 78 33 60 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.794 2.00 1042 A 3.66 3.60 3.09 2.85 2.76 2.42 2.40 2.23 2.04 2.03 1.93 1.84 1.84 1.81 1.80 1.77 1.77 1.70 1.69 1.66 1.58 1.46 1.41 1.37 1.36 1.25 1.23 1.21 1.19 1.19 1.16 1.16 1.12 1.12 1.07 1.06 1.05 1.04 1.03 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:y P:z P:y P:z P:z P:x P:z P:x P:z P:x P:x P:y P:z P:y P:z P:y P:z P:z P:y P:z P:z P:y P:z P:z P:z P:y P:z P:y P:z P:x P:z P:z P:y P:z P:y P:z P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 67 33 53 60 81 26 43 71 30 48 64 28 76 50 78 37 40 29 72 69 26 25 66 61 69 27 64 40 63 50 62 59 31 30 60 76 49 46 63 30 72 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.767 2.00 1043 A 6.49 6.21 5.42 5.00 4.90 4.08 3.71 2.90 1.96 1.70 1.66 1.64 1.47 1.45 1.44 1.39 1.39 1.35 1.33 1.26 1.24 1.20 1.09 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:y P:x P:z P:y P:y P:x P:x P:z P:z P:x P:z P:z P:z P:x P:x P:y P:y P:z P:x P:y P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 82 34 54 36 49 77 34 42 41 54 79 28 80 36 52 76 33 41 39 51 62 80 47 67 O O O O O O O O O O O O O O O O O O O O O O O O -8.755 2.00 1044 A 8.17 6.33 5.53 5.04 3.50 3.44 2.98 2.54 2.51 2.43 2.39 2.35 2.29 1.99 1.94 1.73 1.71 1.68 1.65 1.51 1.49 1.41 1.28 1.22 1.21 1.13 1.09 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:y P:z P:x P:z P:z P:y P:z P:y P:x P:y P:z P:y P:z P:y P:y P:x P:z P:y P:z P:y P:z P:y P:y P:z P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 44 74 46 44 42 46 82 54 47 79 34 39 32 34 51 75 64 74 30 53 81 66 39 74 31 65 35 31 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.754 2.00 1045 A 6.10 4.36 3.81 3.81 3.78 3.61 2.77 2.66 2.61 2.15 2.15 2.13 1.81 1.80 1.76 1.74 1.45 1.32 1.31 1.27 1.27 1.22 1.21 1.20 1.18 1.17 1.15 1.09 1.09 1.08 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:x P:z P:x P:y P:z P:y P:z P:z P:y P:x P:z P:y P:z P:x P:y P:y P:x P:y P:z P:y P:x P:z P:y P:x P:z P:y P:y P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 41 80 42 47 36 39 39 52 49 79 29 75 51 79 63 52 33 77 59 75 77 47 30 75 41 25 50 80 38 60 51 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.745 2.00 1046 A 4.26 3.50 3.50 3.41 3.24 2.46 2.37 2.35 2.32 1.97 1.94 1.87 1.83 1.72 1.69 1.65 1.64 1.63 1.30 1.28 1.28 1.26 1.26 1.26 1.14 1.13 1.13 1.11 1.08 1.05 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:z P:z P:y P:x P:z P:z P:y P:y P:z P:x P:y P:y P:x P:z P:x P:z P:x P:z P:x P:y P:x P:z P:y P:z P:x P:z P:y P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 62 73 26 45 25 31 39 66 67 66 32 36 32 44 60 28 26 70 42 67 62 38 41 64 72 43 43 72 77 29 61 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.742 2.00 1047 A 4.29 4.00 3.56 3.28 3.21 3.18 2.85 2.84 2.60 2.59 2.47 2.43 2.37 2.09 1.99 1.91 1.78 1.73 1.67 1.61 1.59 1.56 1.53 1.48 1.39 1.37 1.37 1.31 1.30 1.25 1.22 1.20 1.15 1.15 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:z P:y P:x P:z P:x P:z P:x P:z P:x P:x P:y P:y P:z P:y P:z P:z P:x P:y P:y P:y P:y P:y P:x P:x P:z P:y P:z P:y P:x P:x P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 33 64 70 38 31 63 59 67 30 61 37 69 68 25 29 40 59 35 25 27 59 63 64 71 65 71 27 29 68 39 40 70 35 28 61 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.741 2.00 1048 A 5.09 4.43 2.93 2.90 2.76 2.72 2.30 2.29 2.05 1.97 1.96 1.93 1.86 1.84 1.62 1.62 1.53 1.49 1.42 1.41 1.33 1.28 1.27 1.26 1.25 1.21 1.20 1.20 1.19 1.19 1.11 1.08 1.05 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z P:x P:x P:x P:y P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:z P:x P:y P:z P:x P:z P:x P:y P:x P:y P:x P:z P:z P:x P:x P:x P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 42 41 28 30 65 36 39 80 51 36 45 44 49 52 32 41 60 79 34 52 27 21 68 60 44 23 79 55 47 77 57 69 37 72 77 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.679 2.00 1049 A 4.29 4.26 4.24 4.11 4.02 3.63 3.63 3.48 3.37 2.56 2.37 2.21 2.15 2.07 2.04 1.91 1.74 1.72 1.70 1.66 1.62 1.52 1.41 1.38 1.34 1.32 1.23 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:x P:y P:x P:y P:y P:y P:y P:z P:y P:y P:z P:x P:y P:z P:z P:z P:y P:y P:z P:x P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 31 44 64 65 30 39 34 33 36 25 42 59 62 28 41 60 67 60 67 26 59 42 28 36 41 26 26 59 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.672 2.00 1050 A 9.34 9.30 8.12 7.62 7.49 4.89 4.87 4.11 2.74 2.60 2.28 1.82 1.82 1.78 1.55 1.48 1.36 1.27 1.23 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:y P:y P:z P:x P:x P:x P:y P:z P:y P:x P:z P:y P:y P:y P:x P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 21 22 56 22 55 55 24 58 56 56 25 21 21 30 58 24 64 35 71 68 O O O O O O O O O O O O O O O O O O O O -8.670 2.00 1051 A 7.81 7.16 3.86 3.39 3.31 3.24 2.78 2.50 2.45 2.19 2.09 2.04 1.91 1.85 1.69 1.66 1.63 1.63 1.54 1.35 1.32 1.31 1.29 1.14 1.10 1.08 1.05 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:z P:y P:z P:x P:z P:y P:x P:z P:z P:y P:z P:y P:x P:y P:y P:y P:z P:y P:y P:z P:y P:x P:z P:z P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 57 55 55 44 74 41 44 46 34 82 63 58 22 64 62 22 34 54 46 29 39 58 57 67 30 79 36 42 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.668 2.00 1052 A 10.06 4.95 4.89 4.76 3.00 3.00 2.70 2.45 2.38 2.07 2.02 1.98 1.87 1.79 1.67 1.59 1.59 1.58 1.49 1.46 1.35 1.34 1.29 1.18 1.18 1.13 1.10 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:x P:y P:y P:x P:x P:y P:x P:z P:y P:z P:y P:z P:z P:y P:z P:y P:z P:x P:z P:x P:z P:z P:x P:z P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 57 56 42 56 57 58 41 80 56 65 41 79 39 60 51 75 80 36 52 36 21 60 49 72 68 61 47 59 34 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.666 2.00 1053 A 13.67 8.48 7.79 3.36 3.31 2.99 2.75 2.61 2.54 2.48 2.37 2.06 2.00 1.74 1.61 1.56 1.51 1.45 1.39 1.24 1.22 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:z P:y P:x P:y P:z P:z P:x P:z P:z P:x P:y P:x P:z P:y P:y P:z P:x P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 23 21 23 22 31 33 24 57 24 23 47 39 28 43 36 32 44 39 49 42 24 55 O O O O O O O O O O O O O O O O O O O O O O -8.553 2.00 1054 A 11.01 9.34 5.62 4.80 4.44 4.15 3.97 3.70 3.33 3.01 2.83 2.65 2.63 2.56 2.43 2.40 2.09 1.93 1.86 1.47 1.36 1.15 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:x P:x P:x P:x P:y P:z P:x P:z P:x P:z P:y P:y P:x P:y P:z P:z P:y P:z P:y P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 40 71 37 30 62 64 60 26 28 28 69 70 38 69 71 25 69 37 62 59 26 35 64 O O O O O O O O O O O O O O O O O O O O O O O -8.552 2.00 1055 A 11.61 8.89 5.04 4.23 4.21 4.13 3.82 3.71 3.33 3.06 2.82 2.49 2.32 2.23 2.19 2.09 1.79 1.55 1.41 1.38 1.34 1.31 1.27 1.27 1.16 1.11 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:x P:y P:x P:x P:x P:y P:x P:z P:z P:x P:y P:z P:x P:z P:y P:y P:x P:z P:x P:y P:y P:y P:y P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 43 72 31 33 37 65 72 25 67 45 59 33 73 69 69 67 65 40 30 71 43 67 59 69 60 64 26 O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.449 2.00 1056 A 5.89 5.44 3.98 3.53 3.05 2.84 2.68 2.56 2.53 2.49 2.48 2.44 2.17 2.16 2.04 2.02 1.93 1.81 1.73 1.73 1.71 1.61 1.61 1.60 1.43 1.43 1.33 1.30 1.20 1.20 1.12 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:x P:y P:y P:z P:z P:z P:x P:z P:z P:z P:z P:z P:y P:z P:y P:z P:y P:y P:z P:z P:z P:y P:z P:z P:y P:x P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 39 44 36 41 34 42 32 45 63 42 34 70 61 36 27 38 68 29 35 73 66 66 41 29 61 38 73 68 30 27 41 40 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.375 2.00 1057 A 4.20 4.09 3.77 3.42 3.34 3.02 3.00 2.79 2.73 2.66 2.55 2.43 2.23 2.14 2.10 2.04 1.88 1.83 1.80 1.72 1.69 1.68 1.68 1.55 1.55 1.54 1.46 1.42 1.40 1.38 1.20 1.19 1.17 1.09 1.09 1.02 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:y P:z P:y P:y P:z P:y P:z P:z P:z P:z P:y P:x P:y P:z P:y P:y P:z P:y P:y P:z P:y P:z P:z P:y P:y P:y P:x P:z P:x P:x P:x P:y P:x P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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W W -3.478 0.00 1062 A 10.76 6.45 6.17 5.52 4.05 3.22 2.61 2.48 2.35 2.25 1.94 1.81 1.72 1.59 1.44 1.32 1.31 1.29 1.29 1.28 1.07 1.04 1.02 1.01 3 3 3 3 3 3 1 3 3 3 3 1 3 3 3 1 3 3 3 3 3 3 3 3 D:yz D:yz D:xy D:x2-y2 D:z2 D:xz P:x D:xy D:z2 D:xz D:xz P:x D:xy D:x2-y2 D:z2 P:x D:xy D:z2 D:xz D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 5 14 10 14 19 14 37 5 20 12 19 69 3 5 11 44 19 6 5 4 10 16 15 7 W W W W W W O W W W W O W W W O W W W W W W W W -3.475 0.00 1063 A 10.40 7.76 6.87 5.14 5.14 2.48 2.11 1.94 1.87 1.79 1.78 1.66 1.54 1.53 1.50 1.35 1.34 1.34 1.13 1.12 1.06 1.04 1.03 3 3 3 3 3 1 3 3 3 3 1 3 3 3 3 3 3 1 1 3 3 3 3 D:x2-y2 D:xz D:xy D:z2 D:z2 P:y D:xy D:z2 D:xy D:xz P:z D:xz D:z2 D:x2-y2 D:z2 D:xz D:x2-y2 P:z P:y D:x2-y2 D:xy D:yz D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 16 7 10 7 19 40 16 9 19 19 71 16 17 10 18 4 7 43 72 8 7 16 9 W W W W W O W W W W O W W W W W W O O W W W W -3.088 0.00 1064 A 7.45 4.59 3.63 3.32 2.80 2.65 2.54 2.26 2.02 2.00 2.00 1.84 1.70 1.54 1.53 1.52 1.51 1.47 1.43 1.29 1.27 1.24 1.23 1.20 1.20 1.18 1.10 1.10 1.08 1.04 1.02 1.01 1.00 3 3 3 3 3 3 3 3 3 1 3 1 1 3 3 3 1 3 3 1 3 3 3 1 3 1 1 3 3 1 3 3 1 D:yz D:yz D:x2-y2 D:z2 D:xz D:z2 D:x2-y2 D:x2-y2 D:xz P:z D:xz P:x P:z D:xy D:xz D:xy P:x D:xy D:xy P:x D:xz D:z2 D:xz P:y D:yz P:x P:z D:xz D:xy P:y D:xz D:xy P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 5 14 14 9 7 17 16 8 14 68 18 37 35 10 8 3 31 9 5 30 12 18 3 68 8 69 70 17 17 35 4 18 65 W W W W W W W W W O W O O W W W O W W O W W W O W O O W W O W W O -3.087 0.00 1065 A 6.66 5.23 4.73 3.11 2.92 2.83 2.73 2.57 2.10 2.08 2.08 2.05 1.95 1.74 1.69 1.65 1.61 1.56 1.52 1.44 1.35 1.35 1.34 1.31 1.25 1.24 1.23 1.23 1.12 1.11 1.03 1.03 1.01 3 3 3 3 3 3 3 3 3 1 3 3 3 3 3 3 3 3 1 1 1 1 1 3 1 3 1 1 1 1 3 3 1 D:xy D:z2 D:x2-y2 D:xz D:z2 D:xz D:z2 D:z2 D:yz P:z D:xy D:z2 D:z2 D:xy D:x2-y2 D:xz D:xz D:x2-y2 P:z P:y P:z P:z P:y D:xy P:y D:yz P:y P:y P:z P:y D:xz D:xz P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 10 19 16 4 15 7 11 7 6 45 19 6 20 13 10 19 12 15 43 25 70 26 73 3 72 20 60 40 73 38 3 16 59 W W W W W W W W W O W W W W W W W W O O O O O W O W O O O O W W O -2.780 0.00 1066 A 4.84 4.56 4.50 4.41 3.85 3.80 3.30 3.10 2.53 2.43 2.34 2.07 1.89 1.85 1.81 1.60 1.60 1.56 1.48 1.24 1.08 1.06 1.02 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 3 3 3 3 1 D:xz D:xz D:xy D:xy D:x2-y2 D:x2-y2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:xz D:xy D:z2 D:xy D:z2 D:xz P:x P:x D:yz D:x2-y2 D:x2-y2 D:yz P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 4 12 3 13 18 8 17 9 11 15 15 6 6 20 20 11 44 39 6 20 9 17 47 W W W W W W W W W W W W W W W W O O W W W W O -2.734 0.00 1067 A 8.25 6.37 5.48 4.47 3.48 3.41 3.35 3.08 2.90 2.68 2.53 2.48 2.40 2.17 2.15 1.93 1.91 1.82 1.75 1.70 1.57 1.48 1.38 1.37 1.30 1.25 1.23 1.22 1.12 1.00 1.00 3 3 3 1 3 1 3 3 3 3 3 1 3 3 1 1 3 3 1 1 3 1 1 3 3 3 3 3 1 1 3 D:xz D:xy D:xz P:z D:z2 P:y D:xy D:xy D:z2 D:x2-y2 D:x2-y2 P:z D:xz D:yz P:y P:z D:z2 D:xz P:z P:x D:xy P:z P:y D:xy D:yz D:x2-y2 D:x2-y2 D:yz P:x P:x D:xz -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 20 11 11 82 14 54 7 5 18 9 20 54 9 20 48 52 16 18 80 50 18 76 80 14 5 11 5 9 78 76 16 W W W O W O W W W W W O W W O O W W O O W O O W W W W W O O W -2.732 0.00 1068 A 7.53 6.56 5.98 5.36 4.20 4.15 4.09 3.95 3.89 3.15 3.08 3.02 2.76 2.33 2.07 2.00 1.99 1.96 1.84 1.77 1.77 1.69 1.36 1.21 1.19 1.11 1.03 1.02 3 3 3 3 1 3 3 3 3 3 1 1 3 1 1 1 3 1 1 3 1 3 1 3 3 3 3 3 D:z2 D:z2 D:z2 D:z2 P:z D:yz D:yz D:x2-y2 D:yz D:yz P:y P:z D:yz P:y P:y P:y D:x2-y2 P:z P:z D:yz P:z D:x2-y2 P:z D:x2-y2 D:xz D:xz D:xy D:xz -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 13 4 3 12 47 7 10 13 16 4 75 74 19 46 53 78 4 50 75 12 81 3 46 19 16 13 12 19 W W W W O W W W W W O O W O O O W O O W O W O W W W W W -2.727 0.00 1069 A 8.16 5.41 4.84 3.78 3.74 3.40 3.34 3.07 2.93 2.91 2.90 2.59 2.54 2.29 2.24 2.21 2.12 2.03 1.97 1.97 1.78 1.73 1.52 1.52 1.49 1.37 1.31 1.20 1.16 1.11 1.06 1.04 3 3 3 1 3 3 3 3 3 3 3 1 1 3 3 3 3 1 1 3 1 1 1 1 1 1 1 3 3 1 3 3 D:xz D:xy D:z2 P:z D:xz D:x2-y2 D:x2-y2 D:xy D:xz D:xy D:xz P:y P:z D:z2 D:z2 D:z2 D:xy P:x P:z D:xz P:z P:z P:y P:x P:y P:y P:y D:xz D:z2 P:x D:yz D:x2-y2 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 6 15 8 49 17 14 19 6 15 8 10 77 79 15 17 5 17 53 77 5 48 51 76 81 51 79 49 14 10 76 14 15 W W W O W W W W W W W O O W W W W O O W O O O O O O O W W O W W -2.708 0.00 1070 A 4.12 3.87 3.10 2.99 2.58 2.58 2.44 2.03 1.99 1.95 1.95 1.83 1.72 1.65 1.65 1.64 1.62 1.59 1.55 1.48 1.42 1.40 1.34 1.29 1.21 1.21 1.20 1.18 1.16 1.10 1.05 3 3 3 3 3 3 3 1 3 3 3 3 3 1 3 1 1 3 3 3 1 3 1 3 3 3 3 1 3 1 3 D:z2 D:z2 D:z2 D:x2-y2 D:z2 D:xz D:xz P:z D:z2 D:z2 D:xz D:xz D:xy P:z D:xy P:y P:z D:xz D:x2-y2 D:xy P:z D:xy P:y D:yz D:z2 D:yz D:xy P:z D:yz P:z D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 3 12 8 9 18 9 17 74 4 13 6 18 8 52 18 46 80 20 3 17 79 15 80 19 17 10 11 51 12 47 13 W W W W W W W O W W W W W O W O O W W W O W O W W W W O W O W -2.665 0.00 1071 A 3.79 3.19 3.17 3.13 3.10 2.82 2.76 2.59 2.48 2.37 2.34 2.27 2.22 2.21 2.15 2.07 1.88 1.81 1.57 1.55 1.54 1.52 1.51 1.49 1.45 1.38 1.32 1.29 1.26 1.20 1.16 1.15 1.14 1.11 1.06 1.01 3 3 3 3 3 3 3 3 3 1 3 3 1 1 1 3 3 3 3 1 3 3 3 3 3 1 1 3 3 3 3 1 1 3 3 1 D:xy D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:x2-y2 D:xy D:xz P:x D:xz D:xy P:x P:x P:x D:x2-y2 D:x2-y2 D:x2-y2 D:yz P:y D:yz D:yz D:xz D:xy D:xz P:y P:y D:xz D:yz D:xz D:xz P:y P:y D:xz D:z2 P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 4 15 17 18 20 6 9 13 13 75 3 12 74 47 46 8 12 11 8 77 9 18 11 3 20 49 51 12 17 6 4 82 79 15 15 80 W W W W W W W W W O W W O O O W W W W O W W W W W O O W W W W O O W W O -2.619 0.00 1072 A 4.68 4.50 3.64 2.99 2.76 2.61 2.51 2.34 2.33 2.28 2.18 2.14 2.05 1.99 1.86 1.71 1.70 1.47 1.46 1.44 1.42 1.39 1.38 1.31 1.27 1.10 1.09 1.03 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 3 1 3 1 3 1 1 3 3 D:xy D:xz D:xz D:x2-y2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:yz D:xy D:xy D:xy D:xz D:z2 D:xy D:x2-y2 P:x P:x D:xy P:x D:x2-y2 P:x D:xz P:x P:x D:z2 D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 4 3 13 17 11 8 12 9 15 8 15 11 12 20 18 6 20 44 39 9 47 6 46 6 75 74 20 18 W W W W W W W W W W W W W W W W W O O W O W O W O O W W -2.607 0.00 1073 A 4.61 3.80 3.72 3.56 3.27 3.14 3.01 2.93 2.75 2.50 2.44 2.08 1.96 1.91 1.91 1.82 1.56 1.44 1.43 1.41 1.12 1.08 1.07 1.03 1.01 1.01 1.01 3 3 3 3 3 3 3 3 3 3 3 1 3 1 1 1 1 1 1 1 3 1 3 3 3 3 3 D:xz D:x2-y2 D:xy D:z2 D:z2 D:z2 D:z2 D:xz D:xz D:xz D:z2 P:z D:xy P:y P:z P:z P:z P:y P:z P:y D:x2-y2 P:y D:yz D:x2-y2 D:xy D:xy D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 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1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 6 8 15 17 3 49 17 4 8 15 13 12 79 17 19 8 13 77 79 51 15 18 47 6 17 74 51 77 12 46 W W W W W O W W W W W W O W W W W O O O W W O W W O O O W O -2.451 0.00 1075 A 3.29 3.06 2.68 2.12 2.00 1.93 1.86 1.84 1.74 1.72 1.71 1.67 1.66 1.65 1.54 1.53 1.52 1.34 1.32 1.30 1.30 1.29 1.24 1.17 1.17 1.16 1.10 1.09 1.06 1.03 1.03 1.02 1.00 1.00 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 3 3 1 3 1 3 3 1 1 1 1 1 1 3 3 D:yz D:z2 D:z2 D:xz D:z2 D:xz D:xy D:x2-y2 D:z2 D:x2-y2 D:yz D:xz D:z2 D:xy D:xy D:z2 D:xz P:z D:z2 D:xz D:yz P:z D:z2 P:y D:z2 D:xy P:z P:z P:z P:z P:y P:z D:xz D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 5 11 9 4 17 13 12 16 8 6 16 3 20 10 18 15 7 45 19 12 10 70 18 38 6 3 35 63 32 27 73 68 15 14 W W W W W W W W W W W W W W W W W O W W W O W O W W O O O O O O W W -2.448 0.00 1076 A 6.16 4.96 3.55 3.17 3.11 2.95 2.67 2.62 2.30 1.83 1.81 1.79 1.78 1.52 1.47 1.36 1.34 1.31 1.27 1.27 1.22 1.19 3 3 3 3 3 1 1 3 3 3 1 1 3 3 3 1 3 3 1 3 3 3 D:yz D:yz D:yz D:z2 D:xy P:y P:z D:yz D:xy D:x2-y2 P:y P:y D:xy D:yz D:xy P:z D:x2-y2 D:z2 P:z D:yz D:x2-y2 D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 7 16 10 14 5 78 50 19 11 17 53 48 16 12 14 81 8 7 76 20 5 15 W W W W W O O W W W O O W W W O W W O W W W -2.446 0.00 1077 A 3.65 3.18 3.16 3.12 3.08 2.56 2.25 2.11 2.10 1.89 1.87 1.87 1.79 1.78 1.71 1.71 1.70 1.54 1.49 1.42 1.38 1.15 1.15 1.13 1.10 1.10 1.07 1.05 3 3 3 3 3 3 3 3 3 3 1 1 3 1 3 3 1 1 3 1 3 3 3 3 3 3 3 3 D:x2-y2 D:xy D:yz D:xz D:z2 D:x2-y2 D:yz D:x2-y2 D:yz D:xz P:x P:z D:xz P:x D:z2 D:x2-y2 P:z P:x D:x2-y2 P:x D:xy D:xz D:xy D:z2 D:yz D:z2 D:z2 D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 14 7 19 10 5 9 10 5 14 16 76 48 6 53 16 19 81 50 20 78 4 5 13 8 5 10 18 11 W W W W W W W W W W O O W O W W O O W O W W W W W W W W -2.399 0.00 1078 A 5.91 4.70 3.53 3.25 2.74 2.69 2.41 2.24 2.21 2.03 2.01 1.98 1.92 1.85 1.81 1.80 1.69 1.49 1.45 1.33 1.29 1.27 1.27 1.20 1.17 1.14 1.10 1.05 1.03 1.03 3 3 3 3 3 3 3 1 1 1 1 3 3 1 3 3 1 3 3 3 1 3 3 3 3 3 1 3 3 3 D:x2-y2 D:xy D:xz D:xy D:z2 D:xz D:z2 P:x P:x P:x P:x D:z2 D:yz P:y D:x2-y2 D:xz P:y D:z2 D:xz D:x2-y2 P:z D:z2 D:xy D:z2 D:xy D:z2 P:z D:z2 D:yz D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 19 7 10 5 14 16 16 50 78 53 81 5 10 76 14 5 48 15 14 16 48 10 14 13 19 11 76 3 7 7 W W W W W W W O O O O W W O W W O W W W O W W W W W O W W W -2.354 0.00 1079 A 6.54 4.32 3.13 3.04 3.03 2.88 2.46 2.28 2.02 1.71 1.53 1.50 1.40 1.35 1.34 1.30 1.23 1.15 1.14 1.08 1.04 1.04 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 3 1 3 1 3 D:z2 D:x2-y2 D:z2 D:xy D:z2 D:z2 D:z2 D:x2-y2 D:xy D:z2 D:x2-y2 D:xz D:z2 D:xy D:xz P:x D:yz D:yz P:x D:x2-y2 P:x D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 9 14 15 4 20 17 11 6 3 13 8 13 6 20 7 47 20 6 46 12 35 5 W W W W W W W W W W W W W W W O W W O W O W -2.352 0.00 1080 A 4.50 3.42 2.64 2.35 2.34 2.14 2.13 2.06 2.06 1.88 1.87 1.80 1.71 1.71 1.56 1.45 1.45 1.36 1.35 1.32 1.29 1.24 1.22 1.18 1.17 1.14 1.12 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 3 3 3 3 3 3 D:xy D:xz D:xy D:x2-y2 D:yz D:xz D:xz D:xz D:xy D:xz D:x2-y2 D:yz D:xy D:x2-y2 D:xz D:x2-y2 D:z2 P:x P:z P:y P:z D:xy D:x2-y2 D:xz D:xz D:x2-y2 D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 10 3 13 20 8 17 4 15 3 11 18 9 6 17 19 16 19 30 32 73 45 12 15 9 13 13 19 W W W W W W W W W W W W W W W W W O O O O W W W W W W -2.337 0.00 1081 A 4.95 3.31 3.23 3.04 2.93 2.87 2.47 2.33 2.30 2.15 1.96 1.93 1.77 1.77 1.63 1.61 1.52 1.42 1.36 1.29 1.27 1.16 1.10 1.09 1.05 3 3 3 3 3 3 3 3 3 3 3 3 1 3 3 3 1 3 3 3 3 3 3 1 3 D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xy D:z2 D:x2-y2 D:yz D:xz D:x2-y2 D:z2 D:z2 P:y D:z2 D:xy D:z2 P:y D:xy D:yz D:yz D:xy D:z2 D:xz P:y D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 8 15 18 15 6 11 11 6 11 16 17 6 38 15 20 20 36 10 11 20 3 9 18 25 17 W W W W W W W W W W W W O W W W O W W W W W W O W -2.333 0.00 1082 A 8.88 7.75 5.54 4.78 3.67 2.67 2.51 2.41 2.21 2.01 1.89 1.84 1.36 1.30 1.24 1.00 3 3 3 3 3 3 1 1 3 3 3 3 1 3 3 3 D:xz D:xz D:xy D:xy D:z2 D:x2-y2 P:x P:x D:x2-y2 D:z2 D:x2-y2 D:x2-y2 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0.00 1084 A 6.92 3.48 3.15 3.07 2.88 2.84 2.65 2.62 2.55 2.24 2.23 2.03 1.99 1.80 1.63 1.52 1.43 1.39 1.27 1.18 1.16 1.15 1.15 1.12 1.04 3 3 3 3 1 3 3 3 1 1 3 1 3 3 3 3 3 3 3 3 3 3 3 3 3 D:xy D:x2-y2 D:xz D:xy P:x D:xz D:xy D:x2-y2 P:x P:x D:x2-y2 P:x D:yz D:xz D:xy D:yz D:z2 D:x2-y2 D:xz D:xy D:yz D:xy D:x2-y2 D:x2-y2 D:xy -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 4 9 13 13 47 12 3 18 75 46 11 74 9 3 12 18 18 3 11 20 20 10 17 20 9 W W W W O W W W O O W O W W W W W W W W W W W W W -2.220 0.00 1085 A 4.78 4.40 4.04 3.95 2.70 2.26 2.25 2.15 2.01 1.98 1.84 1.82 1.70 1.68 1.64 1.60 1.56 1.56 1.48 1.47 1.47 1.35 1.31 1.28 1.22 1.18 1.16 1.01 3 3 3 3 3 3 3 3 3 1 1 1 3 3 3 3 3 3 1 3 3 3 1 1 3 3 3 3 D:x2-y2 D:xy D:x2-y2 D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xz P:y P:y P:y D:yz D:xz D:xy D:z2 D:xz D:xy P:y D:xz D:xy D:z2 P:z P:y D:z2 D:x2-y2 D:yz D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 17 15 8 6 20 12 18 3 4 77 70 79 17 15 11 15 6 12 49 20 13 9 38 51 11 9 8 7 W W W W W W W W W O O O W W W W W W O W W W O O W W W W -2.178 0.00 1086 A 6.83 4.95 4.77 3.33 2.97 2.66 2.48 2.43 2.32 2.26 2.13 2.08 1.85 1.77 1.74 1.73 1.65 1.65 1.56 1.34 1.32 1.30 1.21 1.18 1.14 1.07 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 1 1 1 3 1 1 3 3 3 3 1 D:xy D:xz D:xz D:xy D:x2-y2 D:x2-y2 D:xz D:z2 D:z2 D:yz D:z2 D:xy D:yz P:x D:xy P:x P:x P:x D:xz P:x P:x D:yz D:yz D:x2-y2 D:x2-y2 P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 4 3 13 12 12 20 20 13 18 18 11 11 9 75 9 39 47 74 18 46 44 5 14 18 9 41 W W W W W W W W W W W W W O W O O O W O O W W W W O -2.176 0.00 1087 A 5.10 5.03 5.01 3.72 2.68 2.66 2.58 2.42 2.31 2.24 1.79 1.69 1.68 1.63 1.62 1.53 1.30 1.23 1.21 1.17 1.16 1.10 1.04 1.04 3 3 3 3 3 3 3 3 3 3 1 1 3 3 3 3 3 3 1 1 3 3 3 1 D:yz D:z2 D:x2-y2 D:xy D:z2 D:x2-y2 D:z2 D:xz D:xz D:xy P:y P:y D:x2-y2 D:x2-y2 D:x2-y2 D:yz D:xz D:yz P:z P:y D:z2 D:xy D:xz P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 8 15 17 6 11 6 8 3 6 15 49 51 20 9 12 16 17 7 38 36 18 4 11 42 W W W W W W W W W W O O W W W W W W O O W W W O -2.058 0.00 1088 A 2.94 2.50 2.36 2.35 2.21 1.86 1.74 1.66 1.59 1.58 1.55 1.54 1.42 1.41 1.38 1.37 1.36 1.31 1.30 1.22 1.20 1.19 1.15 1.12 1.10 1.05 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 3 3 1 3 1 3 D:yz D:yz D:yz D:yz D:xz D:xy D:z2 D:xz D:z2 D:xz D:yz D:z2 D:z2 D:z2 D:xy D:xz D:x2-y2 D:z2 D:yz P:y D:x2-y2 D:xy D:z2 P:z D:x2-y2 P:x D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 7 19 10 16 6 11 3 17 12 20 4 13 4 8 18 9 14 18 12 78 20 8 14 81 13 76 11 W W W W W W W W W W W W W W W W W W W O W W W O W O W -1.988 0.00 1089 A 3.90 3.44 3.19 3.08 2.65 2.60 2.35 1.97 1.93 1.53 1.46 1.40 1.37 1.33 1.26 1.22 1.17 1.11 1.08 1.06 1.05 1.03 1.02 1.02 1.02 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 1 1 1 1 3 3 3 3 1 3 D:z2 D:yz D:yz D:z2 D:yz D:xy D:xz D:x2-y2 D:z2 D:z2 D:z2 D:x2-y2 D:xz D:yz P:y D:yz P:x P:z P:z P:z D:yz D:yz D:xz D:z2 P:y D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 3 10 4 13 12 7 16 19 12 4 16 20 11 7 53 5 78 46 74 47 16 19 10 14 44 9 W W W W W W W W W W W W W W O W O O O O W W W W O W -1.986 0.00 1090 A 3.49 2.98 2.72 2.66 2.46 2.43 2.31 1.80 1.76 1.76 1.62 1.57 1.52 1.41 1.34 1.32 1.23 1.21 1.20 1.12 1.10 1.09 1.08 1.08 1.08 1.06 1.06 1.06 1.06 1.06 1.03 1.03 1.02 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 3 1 3 3 3 1 3 3 3 3 3 1 3 1 3 3 1 1 D:xz D:z2 D:xz D:xz D:x2-y2 D:z2 D:z2 D:yz D:xy D:x2-y2 D:xy D:xy D:xy D:z2 P:x P:x D:yz P:y D:xy D:yz D:xz P:z D:xz D:z2 D:yz D:z2 D:yz P:x D:z2 P:z D:xz D:xy P:z P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 6 8 17 10 19 14 5 9 5 14 8 7 11 18 53 42 16 76 15 20 9 79 5 15 15 16 19 36 10 40 20 18 51 49 W W W W W W W W W W W W W W O O W O W W W O W W W W W O W O W W O O -1.792 0.00 1091 A 6.17 4.85 3.31 3.12 3.02 2.67 2.48 2.40 2.30 1.98 1.96 1.91 1.84 1.78 1.73 1.72 1.64 1.61 1.50 1.48 1.43 1.41 1.35 1.28 1.27 1.21 1.16 1.08 1.05 1.04 1.03 3 3 3 3 3 3 1 3 1 3 3 3 3 3 3 1 3 3 1 3 1 1 1 3 1 3 1 3 3 3 1 D:xy D:z2 D:yz D:x2-y2 D:z2 D:xy P:y D:yz P:x D:xy D:xz D:xz D:xz D:x2-y2 D:yz P:z D:xz D:x2-y2 P:x D:yz P:y P:y P:x D:xz P:x D:xy P:x D:xz D:x2-y2 D:xy P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 7 14 5 5 16 5 48 16 50 14 18 20 9 9 7 76 16 19 60 14 26 62 28 11 78 18 76 10 20 11 78 W W W W W W O W O W W W W W W O W W O W O O O W O W O W W W O -1.790 0.00 1092 A 6.99 6.28 4.79 4.41 2.89 2.38 2.37 2.22 2.17 2.11 2.02 1.90 1.71 1.59 1.55 1.52 1.51 1.51 1.29 1.29 1.24 1.19 1.17 1.16 1.12 1.12 3 3 3 3 1 1 3 3 3 3 3 1 1 1 3 1 3 1 1 3 3 3 3 3 3 1 D:yz D:yz D:yz D:yz P:z P:y D:z2 D:x2-y2 D:z2 D:z2 D:z2 P:z P:y P:z D:z2 P:y D:xz P:y P:z D:xz D:xz D:xy D:xz D:xz D:xz P:z -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 10 19 7 16 81 53 13 14 5 3 4 50 31 65 12 64 19 78 30 6 14 15 16 5 17 48 W W W W O O W W W W W O O O W O W O O W W W W W W O -1.779 0.00 1093 A 7.39 4.77 2.78 2.51 2.15 2.11 2.05 1.94 1.65 1.63 1.61 1.59 1.54 1.51 1.51 1.45 1.42 1.38 1.35 1.34 1.32 1.28 1.24 1.23 1.18 1.12 1.10 1.10 3 3 3 3 3 1 1 3 3 3 3 3 3 3 3 1 3 3 1 3 3 3 3 3 1 3 3 3 D:x2-y2 D:xz D:z2 D:x2-y2 D:xy P:x P:x D:xy D:xz D:yz D:z2 D:xz D:xz D:xy D:xz P:y D:z2 D:z2 P:z D:xy D:z2 D:yz D:z2 D:z2 P:x D:z2 D:xz D:z2 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 19 10 5 14 7 53 81 5 6 10 10 16 5 19 14 76 8 12 48 15 3 7 14 13 33 16 17 4 W W W W W O O W W W W W W W W O W W O W W W W W O W W W -1.603 0.00 1094 A 5.73 4.33 3.85 2.75 2.58 2.47 2.11 2.04 2.03 2.02 1.86 1.76 1.58 1.51 1.40 1.32 1.31 1.27 1.23 1.18 1.16 1.14 1.10 3 3 3 3 3 3 3 1 3 3 1 3 3 1 3 3 3 3 3 3 3 3 3 D:xy D:x2-y2 D:x2-y2 D:xz D:x2-y2 D:xz D:xy P:x D:xy D:yz P:x D:xz D:z2 P:y D:xz D:xy D:z2 D:xy D:yz D:z2 D:xz D:x2-y2 D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 10 14 16 7 5 19 16 37 19 5 69 3 19 40 13 5 11 7 14 15 16 6 10 W W W W W W W O W W O W W O W W W W W W W W W -1.586 0.00 1095 A 5.96 5.59 4.25 3.98 3.02 2.41 2.09 1.99 1.92 1.54 1.46 1.43 1.40 1.38 1.19 1.15 1.11 1.09 1.07 1.07 1.02 3 3 3 3 3 3 3 3 3 1 1 3 3 3 1 1 1 3 3 3 3 D:z2 D:z2 D:z2 D:z2 D:xy D:xz D:xz D:x2-y2 D:xy P:x P:y D:xz D:xz D:xy P:z P:x P:z D:x2-y2 D:xz D:x2-y2 D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 9 18 20 11 11 20 4 14 9 34 41 7 13 20 41 39 70 16 12 18 13 W W W W W W W W W O O W W W O O O W W W W -1.584 0.00 1096 A 4.96 3.73 3.27 3.23 3.12 3.08 2.41 2.39 2.32 2.29 2.10 2.04 2.04 1.98 1.90 1.80 1.75 1.67 1.45 1.45 1.36 1.36 1.25 1.24 1.19 1.05 1.05 1.02 1.02 1.01 1.01 3 3 3 3 3 3 3 1 3 3 3 3 3 3 3 1 3 3 3 1 3 1 3 3 3 1 1 3 3 1 3 D:z2 D:z2 D:xz D:xz D:xy D:xz D:x2-y2 P:x D:xz D:x2-y2 D:z2 D:z2 D:xy D:xy D:xz P:y D:xy D:x2-y2 D:xz P:x D:x2-y2 P:z D:xy D:xy D:x2-y2 P:x P:y D:yz D:xz P:x D:z2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 17 8 4 12 3 3 17 44 13 15 6 15 10 12 6 42 4 8 19 39 6 45 19 13 13 30 25 6 15 64 12 W W W W W W W O W W W W W W W O W W W O W O W W W O O W W O W -1.351 0.00 1097 A 8.05 4.48 3.29 2.84 2.60 2.59 2.35 2.22 2.01 1.90 1.81 1.74 1.66 1.58 1.55 1.45 1.41 1.41 1.19 1.13 1.12 1.08 1.08 1.05 1.04 1.00 3 3 3 3 1 3 3 3 3 3 1 3 3 3 3 3 1 1 3 3 3 1 3 1 1 1 D:x2-y2 D:xy D:xy D:xz P:x D:z2 D:xz D:xy D:xz D:yz P:x D:x2-y2 D:yz D:yz D:x2-y2 D:xz P:y P:y D:yz D:x2-y2 D:xy P:z D:z2 P:z P:x P:y -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 9 8 4 9 35 8 13 12 3 9 52 8 8 5 20 11 29 51 15 4 6 52 18 29 51 32 W W W W O W W W W W O W W W W W O O W W W O W O O O -1.344 0.00 1098 A 7.12 4.98 4.79 4.66 4.54 2.52 2.39 2.25 2.21 2.18 1.93 1.90 1.87 1.77 1.72 1.68 1.55 1.47 1.45 1.29 1.19 1.09 1.08 1.06 3 1 3 3 3 1 3 3 3 1 3 1 3 3 3 3 3 3 3 1 1 1 3 3 D:x2-y2 P:x D:xy D:yz D:x2-y2 P:y D:xz D:xz D:z2 P:z D:yz P:y D:yz D:xz D:xz D:z2 D:xy D:x2-y2 D:x2-y2 P:x P:z P:z D:x2-y2 D:xy -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 11 27 6 11 6 49 11 6 11 54 6 54 9 3 13 9 11 8 9 35 49 38 19 12 W O W W W O W W W O W O W W W W W W W O O O W W -1.340 0.00 1099 A 7.73 5.61 5.20 5.13 3.94 3.65 2.70 2.64 2.62 2.54 2.37 2.06 1.73 1.71 1.50 1.42 1.35 1.33 1.32 1.29 1.23 1.15 1.09 1.05 3 3 3 3 3 1 1 3 3 3 1 3 3 1 3 3 1 3 1 1 3 1 1 1 D:xy D:xy D:xz D:x2-y2 D:xz P:x P:x D:xy D:x2-y2 D:xz P:z D:yz D:xy P:x D:xy D:z2 P:z D:z2 P:y P:x D:z2 P:y P:y P:y -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 12 13 12 17 13 74 75 17 12 15 66 17 7 66 15 17 73 13 79 79 15 70 63 66 W W W W W O O W W W O W W O W W O W O O W O O O -1.337 0.00 1100 A 11.72 9.51 4.65 3.68 3.49 2.65 2.59 2.52 2.40 2.35 2.23 2.20 1.93 1.88 1.63 1.53 1.53 1.52 1.37 1.32 1.26 1.23 1.14 1.11 1.08 3 3 1 3 1 3 3 1 3 1 3 3 1 3 1 3 3 1 1 3 3 3 1 3 4 D:x2-y2 D:x2-y2 P:x D:xy P:x D:yz D:x2-y2 P:y D:yz P:y D:xy D:xy P:x D:xz P:y D:xz D:x2-y2 P:y P:y D:xz D:z2 D:yz P:z D:z2 D:x2-y2 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 4.723 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.00 18 20 61 15 68 18 17 63 20 82 20 13 80 20 80 13 15 70 77 15 18 15 82 17 18 W W O W O W W O W O W W O W O W W O O W W W O W W -1.333 0.00 1101 A 10.05 6.87 6.05 4.59 4.03 3.98 3.96 3.42 2.66 2.02 1.92 1.57 1.57 1.48 1.36 1.27 1.24 1.16 1.14 1.12 1.10 3 3 3 3 3 1 1 3 3 3 1 3 1 1 3 1 1 1 1 3 1 D:xy D:xy D:xz D:xz D:xy P:x P:x D:x2-y2 D:x2-y2 D:xy P:x D:yz P:y P:y D:x2-y2 P:x P:y P:x P:y D:z2 P:y -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 4 3 3 4 6 46 47 8 9 8 32 8 32 45 3 29 49 45 29 8 51 W W W W W O O W W W O W O O W O O O O W O -1.216 0.00 1102 A 5.02 4.71 4.12 3.39 2.86 2.09 2.07 1.93 1.88 1.67 1.63 1.61 1.47 1.46 1.30 1.18 1.18 1.13 1.10 1.09 1.08 1.07 1.02 3 3 3 3 3 3 3 3 1 3 3 1 3 1 3 3 1 3 1 3 1 3 1 D:xy D:yz D:xz D:z2 D:z2 D:x2-y2 D:x2-y2 D:yz P:x D:xz D:yz P:x D:xy P:y D:yz D:x2-y2 P:z D:xy P:y D:x2-y2 P:z D:x2-y2 P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 7 10 16 16 14 5 19 19 78 19 5 50 6 53 7 17 72 5 48 20 81 16 64 W W W W W W W W O W W O W O W W O W O W O W O -1.212 0.00 1103 A 5.09 5.05 4.41 3.30 3.12 2.84 2.69 2.14 2.00 1.74 1.60 1.56 1.55 1.50 1.47 1.43 1.37 1.36 1.36 1.32 1.28 1.27 1.16 1.10 1.00 3 3 3 3 3 3 3 3 3 3 1 1 1 3 1 3 3 3 1 3 1 3 3 1 3 D:xz D:x2-y2 D:z2 D:x2-y2 D:z2 D:yz D:yz D:xy D:xy D:xy P:x P:y P:z D:xy P:y D:xz D:x2-y2 D:xz P:x D:z2 P:z D:xz D:xy P:x D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 10 19 5 14 14 16 7 5 4 19 53 76 40 7 71 5 18 14 81 10 48 3 12 59 9 W W W W W W W W W W O O O W O W W W O W O W W O W -1.182 0.00 1104 A 3.48 3.41 3.34 2.84 2.81 2.75 2.59 2.55 2.52 2.51 1.72 1.63 1.58 1.46 1.43 1.31 1.31 1.30 1.28 1.28 1.20 1.20 1.15 1.11 1.11 1.06 1.00 3 3 3 3 3 3 3 3 3 1 3 3 3 3 3 3 1 1 3 1 1 1 3 3 1 3 3 D:x2-y2 D:xy D:xz D:yz D:xz D:xz D:xy D:x2-y2 D:z2 P:x D:xz D:yz D:yz D:z2 D:z2 D:xy P:y P:z D:z2 P:y P:x P:x D:yz D:xy P:z D:x2-y2 D:z2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 9 18 18 20 20 9 11 20 11 41 11 16 9 3 14 7 62 82 18 34 34 60 5 14 80 11 13 W W W W W W W W W O W W W W W W O O W O O O W W O W W -1.180 0.00 1105 A 4.17 3.12 3.09 3.01 2.62 2.51 2.44 2.43 1.98 1.88 1.72 1.70 1.67 1.60 1.49 1.34 1.29 1.21 1.20 1.16 1.14 1.11 1.11 1.11 1.07 1.06 1.04 1.02 3 3 3 3 3 3 3 3 3 3 1 3 3 3 3 3 1 3 3 1 1 1 3 1 1 3 3 3 D:z2 D:z2 D:xz D:xz D:z2 D:z2 D:yz D:yz D:yz D:yz P:x D:xy D:z2 D:xy D:x2-y2 D:yz P:y D:x2-y2 D:yz P:z P:y P:x D:z2 P:y P:y D:xy D:xz D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 13 3 17 6 15 4 4 12 10 19 42 17 12 15 3 16 31 8 7 65 44 36 8 39 64 8 8 13 W W W W W W W W W W O W W W W W O W W O O O W O O W W W -1.160 0.00 1106 A 3.59 2.80 2.72 2.36 2.19 2.19 1.87 1.50 1.47 1.39 1.39 1.38 1.37 1.36 1.31 1.30 1.30 1.30 1.26 1.24 1.17 1.15 1.02 1.02 3 3 3 3 3 3 3 3 3 3 3 1 3 1 3 3 3 3 3 3 3 3 3 1 D:xz D:z2 D:z2 D:z2 D:x2-y2 D:xz D:xy D:yz D:z2 D:xy D:z2 P:x D:xz P:x D:x2-y2 D:xz D:xy D:z2 D:z2 D:yz D:xy D:xy D:xy P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 6 8 3 13 19 17 15 4 12 17 4 42 10 36 9 20 11 18 15 12 7 8 5 33 W W W W W W W W W W W O W O W W W W W W W W W O -1.143 0.00 1107 A 5.52 5.09 4.33 4.24 2.49 2.15 2.10 2.03 1.78 1.72 1.49 1.45 1.35 1.30 1.27 1.19 1.16 1.12 1.08 1.07 1.05 1.04 1.04 3 3 3 3 3 3 3 3 1 3 1 3 3 3 1 3 3 1 1 1 3 1 1 D:yz D:yz D:yz D:yz D:yz D:yz D:x2-y2 D:x2-y2 P:z D:z2 P:y D:xz D:z2 D:x2-y2 P:z D:z2 D:z2 P:z P:y P:y D:xy P:z P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 16 19 10 7 5 14 5 14 81 5 78 10 14 20 50 7 19 72 53 71 8 40 76 W W W W W W W W O W O W W W O W W O O O W O O -1.102 0.00 1108 A 4.23 3.48 2.76 2.45 1.91 1.91 1.81 1.75 1.74 1.69 1.61 1.58 1.54 1.47 1.45 1.42 1.39 1.34 1.32 1.28 1.24 1.18 1.11 1.11 1.08 1.07 1.07 1.02 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 1 3 1 1 1 3 3 3 D:xy D:xz D:x2-y2 D:yz D:xy D:yz D:x2-y2 D:xy D:yz D:x2-y2 D:x2-y2 D:xy D:xy D:yz D:xz D:xz D:yz D:yz P:y D:z2 P:z D:x2-y2 P:y P:z P:x D:yz D:yz D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 3 4 11 6 17 11 8 13 5 9 18 8 12 20 18 12 14 16 38 9 29 15 32 45 35 19 15 8 W W W W W W W W W W W W W W W W W W O W O W O O O W W W -1.087 0.00 1109 A 3.27 2.76 2.63 2.62 2.35 2.28 1.91 1.83 1.79 1.71 1.57 1.54 1.45 1.37 1.31 1.28 1.26 1.22 1.22 1.21 1.15 1.07 1.05 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 D:x2-y2 D:z2 D:yz D:x2-y2 D:yz D:x2-y2 D:xz D:xy D:xz D:x2-y2 D:xy D:yz D:x2-y2 D:z2 D:z2 D:xy D:xz D:xy D:z2 D:xz D:xy D:yz P:z D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 5 17 7 18 10 14 10 19 12 13 7 16 15 12 5 3 19 16 9 15 13 19 50 4 W W W W W W W W W W W W W W W W W W W W W W O W -0.890 0.00 1110 A 5.10 3.83 3.09 2.85 2.58 2.17 1.96 1.66 1.60 1.60 1.58 1.56 1.41 1.35 1.34 1.30 1.29 1.22 1.20 1.18 1.18 1.14 1.13 1.12 1.08 1.07 1.05 1.04 1.02 3 3 3 3 3 3 3 3 3 3 3 3 1 3 3 3 3 3 3 3 1 1 1 1 3 3 1 3 3 D:xy D:z2 D:xz D:yz D:z2 D:xz D:x2-y2 D:z2 D:x2-y2 D:xz D:xz D:yz P:x D:xy D:z2 D:yz D:z2 D:xy D:z2 D:xz P:x P:y P:x P:x D:z2 D:xz P:y D:xy D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 7 14 16 10 16 20 9 3 5 9 18 19 50 11 4 5 12 5 13 7 60 48 41 78 18 11 62 18 11 W W W W W W W W W W W W O W W W W W W W O O O O W W O W W -0.886 0.00 1111 A 4.82 4.20 3.68 2.51 2.41 2.10 2.05 2.00 1.90 1.75 1.66 1.62 1.60 1.45 1.43 1.38 1.36 1.34 1.34 1.26 1.24 1.24 1.23 1.20 1.14 1.06 1.03 1.02 1.01 1.00 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 3 1 1 3 3 1 1 3 1 3 3 1 D:xz D:x2-y2 D:z2 D:xz D:yz D:x2-y2 D:yz D:xy D:z2 D:xz D:z2 D:z2 D:z2 D:z2 D:xy D:xy P:x P:x D:z2 P:x P:x D:xy D:z2 P:x P:x D:z2 P:z D:xz D:z2 P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 10 19 5 6 16 14 7 15 8 17 13 3 4 12 19 17 59 42 15 53 36 8 10 33 25 7 40 14 6 81 W W W W W W W W W W W W W W W W O O W O O W W O O W O W W O -0.733 0.00 1112 A 2.90 2.59 2.45 2.33 2.18 1.99 1.96 1.92 1.79 1.43 1.33 1.32 1.24 1.24 1.22 1.19 1.19 1.16 1.15 1.14 1.13 1.13 1.12 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 D:yz D:yz D:yz D:yz D:yz D:x2-y2 D:yz D:xz D:xy D:xz D:z2 D:yz D:xz D:z2 D:z2 D:xy D:yz D:z2 D:x2-y2 D:z2 D:z2 D:xy D:x2-y2 D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 5 16 10 14 19 8 7 4 13 12 19 20 18 6 11 3 12 7 9 9 15 17 11 6 W W W W W W W W W W W W W W W W W W W W W W W W -0.210 0.00 1113 A 2.93 2.68 2.47 2.25 2.12 2.05 2.01 1.89 1.69 1.66 1.44 1.30 1.28 1.24 1.23 1.18 1.10 1.07 1.04 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 D:z2 D:z2 D:xz D:yz D:xz D:yz D:yz D:z2 D:x2-y2 D:yz D:xy D:z2 D:xy D:xy D:yz S D:xz S P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -15.778 -4.382 -15.778 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 0.80 2.00 1.33 10 16 5 17 14 18 9 19 7 8 5 7 14 19 15 2 16 1 50 W W W W W W W W W W W W W W W P W P O -0.041 0.00 1114 A 5.62 3.33 3.25 3.07 2.46 2.37 2.19 1.94 1.90 1.89 1.88 1.82 1.70 1.62 1.50 1.47 1.47 1.42 1.42 1.36 1.31 1.22 1.11 1.11 1.06 1.03 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 3 1 3 3 D:xy D:xz D:xz D:x2-y2 D:yz D:z2 D:x2-y2 D:z2 D:xz D:x2-y2 D:xy D:z2 D:x2-y2 D:yz D:x2-y2 D:z2 D:z2 D:x2-y2 D:yz D:z2 D:yz P:y D:xy D:xz P:z D:yz D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 14 5 19 10 17 6 7 5 14 19 5 16 15 8 11 10 20 5 15 14 18 71 10 8 40 9 6 W W W W W W W W W W W W W W W W W W W W W O W W O W W -0.037 0.00 1115 A 4.81 4.23 3.20 3.16 3.15 3.02 2.36 2.32 2.27 2.10 2.08 1.94 1.71 1.61 1.53 1.45 1.45 1.40 1.27 1.13 1.10 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 D:xy D:x2-y2 D:yz D:z2 D:yz D:yz D:x2-y2 D:yz D:xz D:z2 D:yz D:xy D:xz D:z2 D:yz D:xy D:yz D:yz D:yz D:x2-y2 D:yz D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 16 10 13 7 19 3 16 4 7 19 12 5 14 4 7 9 16 18 11 7 14 20 W W W W W W W W W W W W W W W W W W W W W W 0.026 0.00 1116 A 2.72 1.91 1.71 1.67 1.58 1.56 1.54 1.49 1.48 1.47 1.45 1.42 1.39 1.36 1.33 1.30 1.29 1.19 1.19 1.14 1.05 1.03 1.02 1.02 1.01 3 3 3 3 3 7 7 7 3 3 7 3 3 2 7 7 2 7 3 3 3 3 7 7 3 D:x2-y2 D:x2-y2 D:xy D:xz D:xy S S S D:xz D:xy S D:z2 D:xz S S S S S D:x2-y2 D:yz D:z2 D:x2-y2 S S D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 1.678 1.678 1.678 -4.382 -4.382 1.678 -4.382 -4.382 3.073 1.678 1.678 3.073 1.678 -4.382 -4.382 -4.382 -4.382 1.678 1.678 -4.382 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.00 0.80 0.80 0.00 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.80 0.80 0.80 0.80 0.00 0.00 0.80 12 4 6 11 9 18 8 9 18 20 20 13 15 159 13 4 162 19 13 8 3 3 15 7 17 W W W W W W W W W W W W W H W W H W W W W W W W W 0.069 0.00 1117 A 3.40 3.18 2.81 2.67 2.58 2.39 2.36 2.02 1.83 1.79 1.79 1.55 1.50 1.46 1.37 1.26 1.15 1.13 1.11 1.09 1.07 1.06 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 3 D:x2-y2 D:x2-y2 D:xy D:xy D:xz D:x2-y2 D:xy D:xy D:x2-y2 D:xz D:x2-y2 D:xy D:xz D:x2-y2 D:xy D:xz D:z2 D:xy D:yz P:x D:yz D:z2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 12 4 20 6 11 3 9 11 13 15 8 18 18 17 15 8 13 17 17 27 9 3 W W W W W W W W W W W W W W W W W W W O W W 0.182 0.00 1118 A 5.25 4.95 4.63 4.23 3.90 3.76 -3.27 -3.09 2.77 2.76 2.69 2.56 -2.46 2.44 -2.21 -2.14 2.12 2.05 1.96 1.87 1.85 1.77 1.76 1.69 1.65 1.63 1.61 1.61 -1.59 1.58 1.52 -1.50 1.50 -1.42 1.40 -1.26 1.25 1.19 1.18 1.15 1.13 1.12 1.08 1.06 -1.03 1.01 -1.01 2 2 2 7 7 2 2 2 1 1 6 1 2 2 2 2 2 3 1 2 7 2 3 2 2 6 2 7 1 2 2 1 2 2 1 1 7 1 2 2 2 2 1 1 3 1 3 S S S S S S S S S S S S S S S S S D:xz S S S S D:z2 S S S S S S S S S S S S S S S S S S S S S S S S 3.073 3.073 3.073 1.678 1.678 3.073 3.073 3.073 -6.581 -6.581 -6.463 -6.581 3.073 3.073 3.073 3.073 3.073 -4.382 -6.581 3.073 1.678 3.073 -4.382 3.073 3.073 -6.463 3.073 1.678 -6.581 3.073 3.073 -6.581 3.073 3.073 -6.581 -6.581 1.678 -6.581 3.073 3.073 3.073 3.073 -6.581 -6.581 11.266 -6.581 11.266 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 2.00 1.00 0.00 0.00 0.00 0.00 0.00 0.80 1.00 0.00 0.00 0.00 0.80 0.00 0.00 2.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 150 117 120 9 7 159 149 116 150 117 9 120 121 151 155 160 119 14 159 118 4 156 16 124 115 7 123 8 149 154 158 116 157 122 151 121 18 119 153 114 113 152 124 118 91 156 101 H H H W W H H H H H W H H H H H H W H H W H W H H W H W H H H H H H H H W H H H H H H H C H C 0.226 0.00 1119 A 4.34 3.28 2.47 2.44 2.31 2.29 2.04 1.62 1.56 1.44 1.44 1.43 1.42 1.40 1.36 1.21 1.19 1.19 1.12 1.11 1.05 1.04 1.01 3 3 3 7 7 7 7 3 3 3 2 1 2 1 7 2 2 5 2 3 1 5 6 D:z2 D:xz D:x2-y2 S S S S D:z2 S D:xy S P:y S P:z S S S P:z S D:x2-y2 P:x P:y S -4.382 -4.382 -4.382 1.678 1.678 1.678 1.678 -4.382 -15.778 -4.382 3.073 -9.955 3.073 -9.955 1.678 3.073 3.073 0.094 3.073 -4.382 -9.955 0.094 -6.463 0.80 0.80 0.80 0.00 0.00 0.00 0.00 0.80 2.00 0.80 0.00 1.33 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.80 1.33 0.00 2.00 10 5 7 18 19 17 16 7 1 5 118 50 123 53 13 165 172 10 169 12 48 7 17 W W W W W W W W P W H O H O W H H W H W O W W 0.300 0.00 1120 A 5.31 5.11 4.47 -3.42 3.36 2.88 -2.86 2.77 2.75 2.69 2.44 2.42 2.32 2.28 2.26 2.05 -2.00 1.92 1.89 1.74 1.63 -1.60 1.55 1.53 1.49 -1.36 1.33 1.30 -1.26 1.26 1.23 1.22 1.20 1.20 1.17 1.16 1.15 -1.14 1.14 1.12 1.10 -1.07 1.05 1.04 1.00 7 2 2 2 2 7 2 7 2 6 2 7 1 1 7 2 2 2 2 2 1 1 2 7 6 3 1 2 1 2 6 2 2 1 1 2 6 3 6 2 2 3 1 7 2 S S S S S S S S S S S S S S S S S S S S S S S S S P:x S S S S S S S S S S S S S S S S S S S 1.678 3.073 3.073 3.073 3.073 1.678 3.073 1.678 3.073 -6.463 3.073 1.678 -6.581 -6.581 1.678 3.073 3.073 3.073 3.073 3.073 -6.581 -6.581 3.073 1.678 -6.463 2.910 -6.581 3.073 -6.581 3.073 -6.463 3.073 3.073 -6.581 -6.581 3.073 -6.463 11.266 -6.463 3.073 3.073 11.266 -6.581 1.678 3.073 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 2.00 0.00 1.00 0.00 1.00 0.00 2.00 0.00 0.00 1.00 1.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 1.00 0.00 0.00 15 182 134 184 130 20 128 11 131 15 183 6 182 134 14 133 176 178 175 127 130 184 136 5 11 2 131 125 128 144 14 141 126 133 183 173 6 95 20 181 135 96 178 17 179 W H H H H W H W H W H W H H W H H H H H H H H W W P H H H H W H H H H H W C W H H C H W H 0.320 0.00 1121 A 4.70 4.59 4.46 4.16 4.12 -4.03 -4.02 -3.67 3.62 3.48 3.23 3.13 2.99 2.58 2.56 2.54 2.51 2.47 2.47 2.45 2.21 1.98 1.97 -1.95 1.94 -1.86 1.83 1.82 1.80 1.74 1.72 1.69 -1.67 1.66 1.51 1.49 -1.46 1.43 1.42 1.36 1.27 -1.19 -1.19 -1.13 1.08 1.08 1.03 -1.03 7 7 2 2 2 2 2 2 2 7 2 2 2 2 1 6 2 1 2 1 1 6 6 1 1 1 1 1 2 7 7 2 1 2 7 1 3 1 2 1 7 3 3 3 3 6 2 2 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S D:z2 S S S 1.678 1.678 3.073 3.073 3.073 3.073 3.073 3.073 3.073 1.678 3.073 3.073 3.073 3.073 -6.581 -6.463 3.073 -6.581 3.073 -6.581 -6.581 -6.463 -6.463 -6.581 -6.581 -6.581 -6.581 -6.581 3.073 1.678 1.678 3.073 -6.581 3.073 1.678 -6.581 11.266 -6.581 3.073 -6.581 1.678 11.266 11.266 11.266 -4.382 -6.463 3.073 3.073 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.00 0.00 1.00 0.00 1.00 1.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.80 2.00 0.00 0.00 17 12 144 143 141 140 145 146 148 19 162 142 147 138 143 17 137 144 139 141 148 12 19 145 142 140 162 147 169 3 8 165 146 172 13 138 99 137 158 139 11 98 100 97 16 8 159 168 W W H H H H H H H W H H H H H W H H H H H W W H H H H H H W W H H H W H C H H H W C C C W W H H 0.417 0.00 1122 A 4.48 4.17 4.08 3.51 3.27 2.94 2.79 -2.76 2.61 2.59 2.57 2.52 2.46 2.41 2.15 2.11 1.87 -1.87 1.83 -1.70 1.68 1.61 1.61 1.59 1.56 1.56 1.49 -1.48 1.45 1.43 -1.40 1.25 -1.23 -1.19 -1.12 1.11 -1.02 2 2 2 7 7 2 2 2 2 2 2 1 1 1 6 2 6 3 2 3 1 1 1 3 1 1 2 3 3 3 2 1 3 1 2 1 2 S S S S S S S S S S S S S S S S S S S S S S S D:xy S S S S D:xz D:xz S S S S S S S 3.073 3.073 3.073 1.678 1.678 3.073 3.073 3.073 3.073 3.073 3.073 -6.581 -6.581 -6.581 -6.463 3.073 -6.463 11.266 3.073 11.266 -6.581 -6.581 -6.581 -4.382 -6.581 -6.581 3.073 11.266 -4.382 -4.382 3.073 -6.581 11.266 -6.581 3.073 -6.581 3.073 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 1.00 2.00 0.00 2.00 0.00 0.00 0.00 1.00 1.00 1.00 0.80 1.00 1.00 0.00 0.00 0.80 0.80 0.00 1.00 0.00 1.00 0.00 1.00 0.00 169 162 165 13 16 172 171 168 163 161 170 169 165 162 13 150 16 105 120 108 171 172 163 14 170 161 117 106 5 14 164 150 107 168 121 120 149 H H H W W H H H H H H H H H W H W C H C H H H W H H H C W W H H C H H H H 0.458 0.00 1123 A 3.22 3.15 3.15 3.09 3.06 2.78 2.65 2.54 -2.25 2.21 2.21 2.14 2.08 2.08 2.01 1.98 1.98 1.92 1.91 -1.90 1.86 1.70 1.69 1.68 1.67 1.62 1.60 -1.59 -1.56 -1.54 1.52 -1.47 -1.45 1.44 1.40 1.34 -1.34 1.33 -1.32 1.32 1.27 1.27 1.26 1.25 1.25 1.21 1.19 1.19 1.18 1.17 1.16 -1.16 1.16 1.15 -1.14 1.14 1.14 1.12 -1.09 1.07 1.06 1.05 1.04 -1.02 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 1 1 1 1 2 1 1 7 1 2 7 2 2 2 2 2 2 2 2 2 7 2 2 2 1 1 6 1 1 1 3 2 2 2 7 7 1 2 2 3 6 2 2 3 7 2 1 2 3 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S D:x2-y2 S S S S S S S S S S S S S S S S S S 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 -6.581 3.073 -6.581 -6.581 -6.581 -6.581 3.073 -6.581 -6.581 1.678 -6.581 3.073 1.678 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 1.678 3.073 3.073 3.073 -6.581 -6.581 -6.463 -6.581 -6.581 -6.581 -4.382 3.073 3.073 3.073 1.678 1.678 -6.581 3.073 3.073 11.266 -6.463 3.073 3.073 11.266 1.678 3.073 -6.581 3.073 11.266 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 1.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 2.00 1.00 1.00 1.00 0.80 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 118 156 124 157 123 151 119 158 155 113 114 152 153 124 115 156 157 118 151 121 123 158 4 119 154 8 178 116 122 149 147 160 176 148 175 19 184 142 146 113 152 4 115 114 153 7 181 180 182 18 7 155 174 143 92 8 138 137 89 11 139 154 173 103 H H H H H H H H H H H H H H H H H H H H H H W H H W H H H H H H H H H W H H H H H W H H H W H H H W W H H H C W H H C W H H H C 0.472 0.00 1124 A 2.97 2.47 2.04 -2.00 1.95 1.93 1.91 1.83 1.81 -1.77 1.75 1.69 1.65 1.65 1.60 1.60 1.60 1.59 1.59 -1.56 1.52 1.52 1.51 -1.49 1.47 1.39 1.38 1.33 1.33 1.31 1.30 1.29 1.28 1.24 1.19 1.11 1.11 1.09 1.08 1.06 1.06 1.05 1.05 1.03 1.02 1.01 2 2 7 2 2 2 7 7 7 2 2 2 2 3 1 2 2 2 2 2 2 2 2 2 2 7 1 2 2 2 6 2 2 2 1 2 2 3 1 1 2 7 6 6 2 1 S S S S S S S S S S S S S D:x2-y2 S S S S S S S S S S S S S S S S S S S S S S S D:z2 S S S S S S S S 3.073 3.073 1.678 3.073 3.073 3.073 1.678 1.678 1.678 3.073 3.073 3.073 3.073 -4.382 -6.581 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 1.678 -6.581 3.073 3.073 3.073 -6.463 3.073 3.073 3.073 -6.581 3.073 3.073 -4.382 -6.581 -6.581 3.073 1.678 -6.463 -6.463 3.073 -6.581 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 1.00 0.00 0.00 0.80 1.00 1.00 0.00 0.00 2.00 2.00 0.00 1.00 130 178 11 176 157 127 7 4 5 128 175 126 131 7 130 135 125 180 174 155 181 156 158 184 136 14 178 152 124 177 7 123 153 173 157 182 118 10 127 131 154 6 11 14 134 136 H H W H H H W W W H H H H W H H H H H H H H H H H W H H H H W H H H H H H W H H H W W W H H 0.551 0.00 1125 A 5.36 3.31 3.06 2.91 2.69 2.58 2.47 2.19 1.93 1.71 1.65 1.51 1.44 1.37 1.37 1.36 1.32 1.14 1.03 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 D:xy D:z2 D:xz D:xz D:z2 D:x2-y2 D:z2 D:xy D:yz D:yz D:x2-y2 D:yz D:xy D:x2-y2 D:yz D:xy D:x2-y2 D:xy D:yz D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 16 7 7 14 10 10 19 5 4 19 16 13 19 5 14 9 7 18 16 7 W W W W W W W W W W W W W W W W W W W W 0.556 0.00 1126 A 4.79 4.13 3.97 3.86 2.12 1.82 1.72 1.63 1.35 1.20 1.15 1.12 1.09 1.07 1.06 1.02 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 D:xy D:xz D:xz D:x2-y2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:xy D:xy D:yz D:xz D:x2-y2 D:xy D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 14 5 19 10 5 16 19 7 14 10 19 20 19 16 11 11 4 W W W W W W W W W W W W W W W W W 0.619 0.00 1127 A 4.88 3.98 3.91 3.24 3.02 2.84 2.43 2.40 2.27 1.85 1.84 1.43 1.41 1.41 1.40 1.38 1.33 1.30 1.05 1.00 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 D:x2-y2 D:z2 D:x2-y2 D:z2 D:x2-y2 D:yz D:yz D:yz D:yz D:x2-y2 D:yz D:yz D:z2 D:yz D:xy D:yz D:xy D:xz D:z2 D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 3 4 13 12 4 15 17 3 6 12 8 4 6 13 13 11 12 13 10 8 W W W W W W W W W W W W W W W W W W W W 0.626 0.00 1128 A 5.84 5.35 4.16 4.05 4.01 4.00 3.94 3.30 2.99 2.12 2.10 1.60 1.42 1.16 1.16 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 D:yz D:yz D:yz D:yz D:yz D:yz D:xz D:yz D:yz D:xz D:xy D:xy D:z2 D:z2 D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 11 18 17 15 20 9 9 6 8 20 8 18 20 6 15 W W W W W W W W W W W W W W W 0.665 0.00 1129 A 3.28 2.98 2.34 2.27 2.25 2.17 2.06 2.04 1.97 1.86 1.64 1.61 1.54 1.44 1.38 1.33 1.32 1.22 1.20 1.12 1.06 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 D:yz D:yz D:z2 D:x2-y2 D:yz D:z2 D:xz D:z2 D:yz D:yz D:z2 D:yz D:yz D:yz D:xy D:xy D:yz D:x2-y2 D:yz D:yz D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 3 13 4 10 18 12 8 6 17 4 20 12 11 8 16 9 15 11 9 6 3 W W W W W W W W W W W W W W W W W W W W W 0.699 0.00 1130 A 14.49 9.58 8.07 7.40 5.23 4.83 4.73 4.14 2.76 -2.02 1.85 1.77 1.77 -1.69 1.55 1.53 1.47 1.38 -1.38 1.31 1.25 -1.25 1.24 -1.22 1.11 1.07 1.07 1.05 1.04 1.04 1.01 7 7 7 6 6 7 7 6 6 7 2 2 6 6 2 2 2 2 6 2 2 7 1 3 6 1 1 1 7 1 2 S S S S S S S S S S S S S S S S S S S S S S S P:z S S S S S S S 1.678 1.678 1.678 -6.463 -6.463 1.678 1.678 -6.463 -6.463 1.678 3.073 3.073 -6.463 -6.463 3.073 3.073 3.073 3.073 -6.463 3.073 3.073 1.678 -6.581 2.910 -6.463 -6.581 -6.581 -6.581 1.678 -6.581 3.073 0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 1.00 0.00 2.00 1.00 1.00 1.00 0.00 1.00 0.00 10 3 5 10 3 7 8 5 8 9 117 173 7 11 174 181 159 175 9 182 180 11 117 1 20 174 175 173 20 181 150 W W W W W W W W W W H H W W H H H H W H H W H P W H H H W H H 0.793 0.00 1131 A 7.23 5.20 4.58 4.02 3.64 3.55 3.54 2.16 1.98 1.95 1.94 1.83 1.77 1.73 1.61 1.61 1.51 1.49 1.48 -1.37 1.32 1.31 1.28 1.27 1.24 1.19 1.14 1.05 1.05 7 6 7 7 6 7 7 7 7 2 6 6 2 6 7 2 2 1 2 3 2 6 2 2 1 2 2 2 2 S S S S S S S S S S S S S S S S S S S P:z S S S S S S S S S 1.678 -6.463 1.678 1.678 -6.463 1.678 1.678 1.678 1.678 3.073 -6.463 -6.463 3.073 -6.463 1.678 3.073 3.073 -6.581 3.073 2.910 3.073 -6.463 3.073 3.073 -6.581 3.073 3.073 3.073 3.073 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 2.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 20 20 18 10 18 7 5 13 15 172 10 7 178 5 4 127 170 172 126 1 171 4 119 125 127 161 135 151 120 W W W W W W W W W H W W H W W H H H H P H W H H H H H H H 0.848 0.00 1132 A 9.42 7.68 7.05 5.26 5.24 4.31 3.92 3.53 3.30 2.57 -2.36 2.08 2.00 1.82 1.81 1.80 1.72 1.32 1.30 1.27 1.24 1.23 1.17 1.09 1.06 1.04 1.01 1.00 7 7 7 7 6 6 6 6 7 2 3 1 7 2 6 7 2 1 6 3 2 6 6 1 2 3 6 2 S S S S S S S S S S P:y S S S S S S S S D:yz S S S S S D:xz S S 1.678 1.678 1.678 1.678 -6.463 -6.463 -6.463 -6.463 1.678 3.073 2.910 -6.581 1.678 3.073 -6.463 1.678 3.073 -6.581 -6.463 -4.382 3.073 -6.463 -6.463 -6.581 3.073 -4.382 -6.463 3.073 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 1.00 0.00 0.00 2.00 0.00 0.00 1.00 2.00 0.80 0.00 2.00 2.00 1.00 0.00 0.80 2.00 0.00 14 19 16 20 14 16 19 20 4 134 2 134 6 162 4 13 144 162 13 13 172 6 15 144 150 15 11 132 W W W W W W W W W H P H W H W W H H W W H W W H H W W H 0.883 0.00 1133 A 7.30 4.59 3.74 3.60 3.48 2.23 1.95 1.85 1.81 1.78 1.74 1.65 1.64 -1.59 1.57 1.53 1.51 1.49 1.46 1.40 1.39 1.38 1.36 1.35 1.30 1.28 1.28 1.28 1.20 1.17 1.15 1.13 1.13 -1.07 -1.02 1.02 1.01 1.00 7 6 7 7 7 6 6 7 7 2 2 7 2 3 2 7 2 2 2 7 2 1 7 1 6 6 1 1 7 1 1 6 1 3 3 2 1 6 S S S S S S S S S S S S S P:x S S S S S S S S S P:y S S S S S S P:x S S S P:y S P:z S 1.678 -6.463 1.678 1.678 1.678 -6.463 -6.463 1.678 1.678 3.073 3.073 1.678 3.073 2.910 3.073 1.678 3.073 3.073 3.073 1.678 3.073 -6.581 1.678 -5.048 -6.463 -6.463 -6.581 -6.581 1.678 -6.581 -5.048 -6.463 -6.581 15.427 2.910 3.073 -5.048 -6.463 0.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.67 2.00 2.00 1.00 1.00 0.00 1.00 0.67 2.00 1.00 0.00 0.00 0.00 0.67 2.00 20 20 18 3 16 18 3 19 13 161 171 12 163 2 170 17 182 177 143 5 133 171 6 105 12 16 163 161 4 170 107 6 177 87 1 130 108 17 W W W W W W W W W H H W H P H W H H H W H H W C W W H H W H C W H N P H C W 0.928 0.00 1134 A 3.67 3.26 3.10 3.03 2.85 2.81 2.69 2.63 2.25 2.21 2.21 2.18 1.93 1.56 -1.47 1.41 1.40 1.37 1.35 1.12 -1.11 1.08 1.05 7 7 7 7 7 7 7 6 6 6 6 6 2 6 3 2 1 3 6 2 3 1 2 S S S S S S S S S S S S S S P:x S S D:x2-y2 S S P:y P:x S 1.678 1.678 1.678 1.678 1.678 1.678 1.678 -6.463 -6.463 -6.463 -6.463 -6.463 3.073 -6.463 2.910 3.073 -6.581 -4.382 -6.463 3.073 2.910 -5.048 3.073 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 0.00 2.00 0.00 0.00 1.00 0.80 2.00 0.00 0.00 0.67 0.00 15 17 5 8 6 18 3 5 17 15 18 6 120 8 2 115 120 4 3 125 1 89 147 W W W W W W W W W W W W H W P H H W W H P C H 0.951 0.00 1135 A 4.47 3.28 3.22 3.02 2.17 2.00 1.74 1.72 1.72 1.65 1.61 1.61 1.46 1.31 1.30 1.26 1.18 1.11 1.08 1.05 7 6 7 6 3 3 7 3 3 3 6 3 3 3 3 6 7 2 2 3 S S S S D:yz D:x2-y2 S D:xy D:xz D:x2-y2 S D:xz D:xy D:z2 D:xy S S S S D:yz 1.678 -6.463 1.678 -6.463 -4.382 -4.382 1.678 -4.382 -4.382 -4.382 -6.463 -4.382 -4.382 -4.382 -4.382 -6.463 1.678 3.073 3.073 -4.382 0.00 2.00 0.00 2.00 0.80 0.80 0.00 0.80 0.80 0.80 2.00 0.80 0.80 0.80 0.80 2.00 0.00 0.00 0.00 0.80 18 18 5 5 15 6 19 17 9 12 19 17 8 7 9 8 8 178 169 12 W W W W W W W W W W W W W W W W W H H W 0.967 0.00 1136 A 3.22 2.83 2.72 2.14 1.95 1.74 1.66 1.62 1.42 1.30 1.28 1.28 1.24 1.12 1.04 1.02 1.00 3 3 3 3 3 3 3 3 3 3 7 3 3 3 1 6 3 D:xy D:x2-y2 D:x2-y2 D:xy D:x2-y2 D:xy D:xz D:xz D:xy D:xz S D:x2-y2 D:x2-y2 D:xz P:y S D:z2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 1.678 -4.382 -4.382 -4.382 -5.048 -6.463 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.80 0.67 2.00 0.80 9 13 3 20 12 11 11 9 12 5 17 10 4 19 92 19 5 W W W W W W W W W W W W W W C W W 0.986 0.00 1137 A 5.22 4.72 3.56 3.00 2.90 2.25 1.99 1.96 1.94 1.87 1.81 1.76 1.62 1.61 1.58 1.58 1.57 1.55 1.46 1.46 1.44 1.41 1.40 1.38 1.33 -1.33 1.32 1.27 1.21 1.20 1.16 -1.16 -1.15 1.14 1.14 1.11 1.10 1.09 1.08 1.05 1.05 7 6 2 2 2 3 2 2 2 6 7 7 1 6 3 6 1 1 1 1 7 2 2 7 3 2 2 3 7 1 1 3 2 6 2 2 3 1 7 2 1 S S S S S D:xy S S S S S S S S D:x2-y2 S S S S P:x S S S S D:xz P:y S D:xz S P:y P:z S P:y S S S D:xy S S S S 1.678 -6.463 3.073 3.073 3.073 -4.382 3.073 3.073 3.073 -6.463 1.678 1.678 -6.581 -6.463 -4.382 -6.463 -6.581 -6.581 -6.581 -5.048 1.678 3.073 3.073 1.678 -4.382 5.519 3.073 -4.382 1.678 -5.048 -5.048 15.427 5.519 -6.463 3.073 3.073 -4.382 -6.581 1.678 3.073 -6.581 0.00 2.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 2.00 0.00 0.00 1.00 2.00 0.80 2.00 1.00 1.00 1.00 0.67 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.80 0.00 0.67 0.67 0.00 0.00 2.00 0.00 0.00 0.80 1.00 0.00 0.00 1.00 17 17 117 124 123 18 159 156 120 9 16 9 117 8 15 16 124 123 156 103 8 153 148 11 18 90 157 15 19 102 101 86 91 11 150 172 8 153 12 152 157 W W H H H W H H H W W W H W W W H H H C W H H W W C H W W C C N C W H H W H W H H 1.030 0.00 1138 A 4.68 4.20 2.60 2.26 2.20 1.96 1.95 1.81 1.56 1.52 1.44 1.42 1.41 1.30 1.29 1.25 1.12 1.10 1.10 1.03 6 7 3 6 3 3 2 7 6 2 3 7 2 3 1 3 2 3 3 3 S S D:xy S D:xy D:xz S S S S D:xz S S D:xy S D:xy S D:xz D:xy D:yz -6.463 1.678 -4.382 -6.463 -4.382 -4.382 3.073 1.678 -6.463 3.073 -4.382 1.678 3.073 -4.382 -6.581 -4.382 3.073 -4.382 -4.382 -4.382 2.00 0.00 0.80 2.00 0.80 0.80 0.00 0.00 2.00 0.00 0.80 0.00 0.00 0.80 1.00 0.80 0.00 0.80 0.80 0.80 13 13 18 20 17 18 133 4 4 165 17 20 141 16 133 20 182 14 12 3 W W W W W W H W W H W W H W H W H W W W 1.043 0.00 1139 A 4.62 3.36 3.10 2.68 2.60 2.55 2.01 1.74 1.68 1.64 1.51 1.36 1.35 1.29 1.26 1.14 1.12 1.12 1.09 1.04 1.04 1.00 1.00 3 3 6 7 3 3 7 7 2 6 3 3 2 3 6 2 2 1 2 1 1 2 3 D:xz D:x2-y2 S S D:xy D:x2-y2 S S S S D:z2 D:x2-y2 S D:xy S S S P:x S P:x P:x S D:xz -4.382 -4.382 -6.463 1.678 -4.382 -4.382 1.678 1.678 3.073 -6.463 -4.382 -4.382 3.073 -4.382 -6.463 3.073 3.073 -9.955 3.073 -9.955 -9.955 3.073 -4.382 0.80 0.80 2.00 0.00 0.80 0.80 0.00 0.00 0.00 2.00 0.80 0.80 0.00 0.80 2.00 0.00 0.00 1.33 0.00 1.33 1.33 0.00 0.80 8 4 18 18 17 6 13 15 130 15 10 8 118 20 13 150 120 49 169 79 51 167 5 W W W W W W W W H W W W H W W H H O H O O H W 1.061 0.00 1140 A 3.81 3.54 3.49 2.68 1.87 1.85 1.74 1.66 1.55 1.47 1.39 1.31 1.29 1.28 1.27 1.27 1.21 1.19 1.12 1.11 1.08 1.03 1.02 1.01 7 6 3 3 3 3 3 3 3 2 3 6 6 2 6 7 6 7 7 3 2 7 3 3 S S D:yz D:xy D:x2-y2 D:x2-y2 D:yz D:yz D:yz S D:x2-y2 S S S S S S S S D:x2-y2 S S D:z2 D:x2-y2 1.678 -6.463 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 3.073 -4.382 -6.463 -6.463 3.073 -6.463 1.678 -6.463 1.678 1.678 -4.382 3.073 1.678 -4.382 -4.382 0.00 2.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.80 2.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 0.80 0.00 0.00 0.80 0.80 5 5 13 20 6 4 4 3 12 120 12 12 19 118 18 19 8 12 14 13 123 8 3 11 W W W W W W W W W H W W W H W W W W W W H W W W 1.097 0.00 1141 A 6.37 5.45 5.28 4.79 2.45 2.14 2.02 1.86 1.77 1.65 1.62 -1.60 1.46 1.44 1.42 1.34 1.32 1.31 1.28 1.28 1.25 1.22 1.16 1.12 -1.11 1.09 1.08 -1.06 1.04 7 6 6 7 2 2 7 2 1 7 3 3 2 1 2 6 2 7 1 7 7 2 2 1 2 2 1 3 1 S S S S S S S S P:x S D:xy S S P:y S S S S P:z S S S S S S S S S P:z 1.678 -6.463 -6.463 1.678 3.073 3.073 1.678 3.073 -5.048 1.678 -4.382 15.427 3.073 -5.048 3.073 -6.463 -21.259 1.678 -5.048 1.678 1.678 3.073 3.073 -6.581 3.073 3.073 -6.581 15.427 -5.048 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.80 0.00 0.00 0.67 0.00 2.00 2.00 0.00 0.67 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.67 7 7 5 5 178 151 3 120 89 11 20 83 158 92 150 3 83 9 91 10 12 114 121 158 149 157 178 86 90 W W W W H H W H C W W N H C H W N W C W W H H H H H H N C