AMS 2021.106 r99350 2021-12-03 2023-06-14T16:40:14.000 GEOMETRY OPTIMIZATION DFT Becke88 Perdew86 Becke88 Perdew86 3171.572566 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VWN Restricted Restricted 0.00000 1.0E-08 1000 conjugate-gradient 37.50000 2.76000 1 3 2792.05567502 8312.89723264 Acetonitrile DFT VWN Restricted Restricted Point Charge Nuclei Frozen Orbital(s) Task GeometryOptimization GeometryOptimization MaxIterations 1000 End System Atoms Si -0.0334288718136114 0.04261698469790036 -0.0006649405127008754 adf.R=1.908 W 2.231299636601438 2.305084909267854 0.1225489590707137 adf.R=1.992 W -2.295759173164867 2.306709021336977 -0.123155761594511 adf.R=1.992 W -2.297445132224173 -2.220447194286776 0.1255559205849705 adf.R=1.992 W 2.227600320045354 -2.219805780180162 -0.1266523537296343 adf.R=1.992 W 0.09399058620696291 2.305627777673041 2.263294781765619 adf.R=1.992 W -0.1570239652910349 -2.2212674103426 2.262905556702284 adf.R=1.992 W 0.0886278059704918 -2.221018267723706 -2.264414584478 adf.R=1.992 W -0.1585109141318056 2.306057349703329 -2.263899683261093 adf.R=1.992 W -2.298376771515805 0.1678223627808039 -2.262364835667441 adf.R=1.992 W 2.228222135385266 -0.08259103900519653 -2.266097680048032 adf.R=1.992 W 2.231957272720903 0.1661178500987728 2.261341560325881 adf.R=1.992 W -2.295056096254642 -0.0816781562146887 2.26481681380852 adf.R=1.992 O 1.026872419184388 1.101116884451802 1.057886221712664 adf.R=1.517 O -1.092744435779406 1.101947388587236 -1.058749685944043 adf.R=1.517 O -1.09204088418326 -1.016297430678201 1.059276019280354 adf.R=1.517 O 1.02384180970935 -1.016217397252175 -1.060737603951364 adf.R=1.517 O 1.080343374623639 1.158053017848667 -3.279323002511828 adf.R=1.517 O -1.145970500135246 1.158068263849086 3.278067570809306 adf.R=1.517 O -1.152304033484377 -1.073184338364991 -3.27753756305822 adf.R=1.517 O 1.084757634519126 -1.074274417894043 3.275937856576703 adf.R=1.517 O -3.309369660693872 1.15908526491807 1.117752212744157 adf.R=1.517 O 3.244070542580741 -1.072708881686787 1.111581177330599 adf.R=1.517 O -3.31202951672127 -1.072117558006807 -1.113809564819907 adf.R=1.517 O 3.24371793037508 1.157112473196566 -1.118891046107505 adf.R=1.517 O -1.150887741068736 -3.23477960625843 -1.115572578574545 adf.R=1.517 O 1.083036963999986 3.319571205668534 -1.116936229203656 adf.R=1.517 O 1.080976371051261 -3.234845606305728 1.113367319193876 adf.R=1.517 O -1.146511270543801 3.320207970983534 1.11626293883583 adf.R=1.517 O 1.462696882333059 1.534097845893676 3.511518968365337 adf.R=1.517 O -1.528048712877771 1.535854336333857 -3.512008244277718 adf.R=1.517 O -1.523850051040656 -1.450292041358787 3.513346436266903 adf.R=1.517 O 1.456171826731605 -1.450721284858195 -3.514553305298414 adf.R=1.517 O 3.48101085007906 1.533995804607678 1.490008958979009 adf.R=1.517 O -3.545269773720203 -1.449465328320441 1.494908536939912 adf.R=1.517 O 3.476911014394602 -1.451104253237557 -1.495625703609166 adf.R=1.517 O -3.546283270123034 1.536626515310241 -1.490520545830593 adf.R=1.517 O -1.525606631090265 3.555665561094584 -1.491873758286551 adf.R=1.517 O 1.457114708101062 -3.469924032280009 -1.493947642223188 adf.R=1.517 O 1.462228972531335 3.554284926684327 1.491721769275091 adf.R=1.517 O -1.526291673379728 -3.469878837472569 1.493232712536896 adf.R=1.517 O 3.604408727460406 3.677185439607995 -0.4576614029087354 adf.R=1.517 O -3.667409677606548 3.680019068499529 0.4576580391746046 adf.R=1.517 O -3.670925611169017 -3.592884413146971 -0.4530586938355021 adf.R=1.517 O 3.597438851342472 -3.589104102414633 0.456122113516726 adf.R=1.517 O -0.4838287122087164 3.678394819043107 3.636773954456915 adf.R=1.517 O 0.4235671664539577 -3.594655027244076 3.634643689260322 adf.R=1.517 O -0.4915169629794056 -3.594230016677907 -3.636478963850435 adf.R=1.517 O 0.4205188542584432 3.678694668826802 -3.63698278618679 adf.R=1.517 O -3.672505234467027 -0.4110424042606954 -3.634052646905345 adf.R=1.517 O 3.600561521501993 0.4957712312266223 -3.639753776998016 adf.R=1.517 O 3.605798424394481 -0.4147337348877317 3.63250888042462 adf.R=1.517 O -3.666523691298128 0.49803390327853 3.638808715285802 adf.R=1.517 N 5.602450868977053 0.6384317523933215 -0.01527691969992044 adf.R=1.608 C 4.439827037703576 0.3369922301947098 -0.8798384208341774 adf.R=1.700 C 6.306621722764462 1.832735138785212 -0.532766982876872 adf.R=1.700 C 5.137288367671614 0.8954603414544735 1.366041079119168 adf.R=1.700 C 6.529140020645461 -0.5148282158889612 -0.01370083477038124 adf.R=1.700 H 7.194232197187405 2.076066864474994 0.09318060933807129 adf.R=1.350 H 5.638999434204704 2.721474559988539 -0.5363017594080356 adf.R=1.350 H 6.658302729893228 1.667847529319372 -1.575920833690525 adf.R=1.350 H 5.98786995104366 1.169021473214404 2.029579387922439 adf.R=1.350 H 4.402177198026902 1.728931144674712 1.393029626000736 adf.R=1.350 H 4.643847331893014 -0.005552326490291169 1.79486487809846 adf.R=1.350 H 6.903638521774313 -0.727248458943218 -1.040145118650194 adf.R=1.350 H 6.023633856904662 -1.43224172988058 0.3633302796136948 adf.R=1.350 H 7.409613792250787 -0.3168416584823988 0.6381764848553018 adf.R=1.350 H 3.733797090905623 1.196850269145998 -0.9149492524786502 adf.R=1.350 H 4.763442076541788 0.1192618820782105 -1.922359686217016 adf.R=1.350 H 3.881228351688779 -0.5489812900247379 -0.5026914602533489 adf.R=1.350 N -0.1222980129595458 0.3106746641959883 6.712877779131932 adf.R=1.608 C -1.284921844233024 0.009235141997383392 5.848316277997679 adf.R=1.700 C 0.5818728408278628 1.504978050587885 6.195387715954979 adf.R=1.700 C -0.587460514264991 0.5677032532571389 8.094195777951027 adf.R=1.700 C 0.804391138708858 -0.8425853040862913 6.714453864061471 adf.R=1.700 H 1.469483315250801 1.748309776277663 6.821335308169921 adf.R=1.350 H -0.0857494477319006 2.393717471791208 6.191852939423811 adf.R=1.350 H 0.9335538479566237 1.340090441122038 5.152233865141332 adf.R=1.350 H 0.263121069107054 0.8412643850170741 8.757734086754297 adf.R=1.350 H -1.3225716839097 1.401174056477385 8.121184324832592 adf.R=1.350 H -1.080901550043594 -0.3333094146876218 8.523019576930322 adf.R=1.350 H 1.178889639837711 -1.055005547140549 5.688009580181659 adf.R=1.350 H 0.2988849749680579 -1.759998818077914 7.091484978445548 adf.R=1.350 H 1.684864910314187 -0.6445987466797312 7.366331183687148 adf.R=1.350 H -1.990951791030984 0.8690931809486683 5.813205446353201 adf.R=1.350 H -0.9613068053948191 -0.2084952061191218 4.805795012614833 adf.R=1.350 H -1.843520530247824 -0.8767383782220702 6.225463238578502 adf.R=1.350 N -6.661800165408936 -0.573756740646528 -0.2652381772190203 adf.R=1.608 C -7.757985360175734 -0.8919537741370519 -1.207127350361884 adf.R=1.700 C -5.876525761469964 0.5664780359281245 -0.787944500469223 adf.R=1.700 C -7.231356357622205 -0.2214268639756493 1.054590851100089 adf.R=1.700 C -5.778457380991346 -1.751524319765296 -0.1191803903667194 adf.R=1.700 H -5.036345442926081 0.8205436334845531 -0.1035317772517305 adf.R=1.350 H -6.510739655903976 1.472603248540655 -0.8988481018643345 adf.R=1.350 H -5.445010143814655 0.3295441066578202 -1.78629012993725 adf.R=1.350 H -6.430152048473516 0.06612424025183335 1.771524479471756 adf.R=1.350 H -7.937218324744459 0.6333456533963029 0.9714450746846505 adf.R=1.350 H -7.789337986413688 -1.080468796390821 1.490367392967491 adf.R=1.350 H -5.32723498800176 -2.035559581270044 -1.096258522965745 adf.R=1.350 H -6.344701343839581 -2.629661270245633 0.2649807336257517 adf.R=1.350 H -4.949096059819377 -1.540951076521047 0.5929961940661638 adf.R=1.350 H -8.428808221264541 -0.01540133990764963 -1.351069778125654 adf.R=1.350 H -7.356281952001644 -1.180754256903258 -2.204229371041791 adf.R=1.350 H -8.376040289812726 -1.737158022599269 -0.8291600465435257 adf.R=1.350 N -0.3596445368216252 0.1069230674133485 -6.459457873864601 adf.R=1.608 C -1.522268368095103 -0.1945164547852603 -7.32401937499885 adf.R=1.700 C 0.3445263169657814 1.301226453805244 -6.976947937041555 adf.R=1.700 C -0.8248070381270707 0.3639516564744993 -5.078139875045511 adf.R=1.700 C 0.5670446148467789 -1.046336900868931 -6.457881788935062 adf.R=1.700 H 1.232136791388719 1.544558179495022 -6.351000344826613 adf.R=1.350 H -0.3230959715939801 2.189965875008568 -6.980482713572724 adf.R=1.350 H 0.6962073240945472 1.136338844339396 -8.020101787855204 adf.R=1.350 H 0.02577454524497239 0.6375127882344296 -4.414601566242236 adf.R=1.350 H -1.55991820777178 1.197422459694748 -5.05115132816394 adf.R=1.350 H -1.318248073905672 -0.5370610114702616 -4.649316076066214 adf.R=1.350 H 0.9415431159756291 -1.25875714392319 -7.484326072814871 adf.R=1.350 H 0.06153845110597566 -1.963750414860554 -6.080850674550982 adf.R=1.350 H 1.447518386452103 -0.8483503434623744 -5.806004469309388 adf.R=1.350 H -2.228298314893069 0.665341584166028 -7.359130206643335 adf.R=1.350 H -1.198653329256903 -0.4122468029017612 -8.366540640381702 adf.R=1.350 H -2.080867054109904 -1.080489975004708 -6.946872414418026 adf.R=1.350 End BondOrders 1 14 1.0 1 15 1.0 1 16 1.0 1 17 1.0 2 14 1.0 2 25 1.0 2 27 1.0 2 34 1.0 2 40 1.0 2 42 1.0 3 15 1.0 3 22 1.0 3 29 1.0 3 37 1.0 3 38 1.0 3 43 1.0 4 16 1.0 4 24 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Si W -24.481 2.00 56 A 17.24 7.28 6.97 6.56 6.55 5.52 4.11 3.87 3.85 3.58 3.28 3.01 2.81 2.61 2.07 2.07 1.71 1.61 1.31 1.23 1.03 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 S S S S S S S S S S S S S S P:y S S -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -4.152 -24.141 -24.141 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 0.67 2.00 2.00 15 38 31 28 37 16 41 27 32 21 35 26 29 23 39 17 36 18 1 33 49 O O O O O O O O O O O O O O O O O O Si O O -24.466 2.00 57 A 6.00 4.54 4.47 4.41 4.28 4.22 4.19 4.14 3.90 3.68 3.63 3.54 3.51 3.18 3.09 2.86 2.77 2.71 2.67 2.66 2.40 2.39 2.31 2.15 1.98 1.95 1.88 1.82 1 1 1 1 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 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 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 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 14 24 17 22 31 20 37 38 18 16 26 27 29 35 19 32 41 25 33 28 36 39 21 23 40 15 34 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 -24.219 2.00 58 A 12.91 12.39 8.09 7.60 7.15 6.79 6.76 5.01 4.81 4.46 3.77 2.26 1.61 1.51 1.06 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 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 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 23 25 33 40 28 26 35 21 19 30 39 37 29 27 32 O O O O O O O O O O O O O O O -24.216 2.00 59 A 10.29 10.28 9.16 8.66 8.38 8.32 8.25 7.80 7.76 2.20 2.09 1.18 1.08 1.08 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 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 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 27 29 34 19 21 41 31 22 24 30 37 40 35 17 O O O O O O O O O O O O O O -24.213 2.00 60 A 12.59 12.33 7.97 7.48 6.86 6.55 6.13 5.52 5.42 4.18 4.17 2.67 1.59 1.44 1.12 1.10 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 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 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 20 18 36 38 32 26 28 24 22 39 37 30 27 29 25 23 O O O O O O O O O O O O O O O O -23.904 2.00 61 A 6.80 6.57 6.48 6.37 6.02 5.99 5.79 5.72 5.66 5.47 5.36 5.24 5.19 4.83 4.79 4.54 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 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 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 19 33 35 31 25 37 22 36 21 23 34 32 18 24 20 30 O O O O O O O O O O O O O O O O -23.900 2.00 62 A 6.84 6.52 6.34 6.15 5.93 5.90 5.82 5.69 5.68 5.68 5.66 5.60 5.12 4.75 4.71 4.43 1.15 1.09 1.02 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 D:yz D:yz D:xz -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -4.627 -4.627 -4.627 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 0.80 0.80 0.80 40 34 26 24 35 28 38 36 27 22 25 41 37 39 23 29 2 4 5 O O O O O O O O O O O O O O O O W W W -23.898 2.00 63 A 6.95 6.52 6.43 6.27 6.14 5.95 5.95 5.84 5.47 5.40 5.38 5.22 5.01 4.84 4.65 4.51 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 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 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 30 39 20 18 32 29 27 41 33 26 40 19 38 31 28 21 O O O O O O O O O O O O O O O O -23.820 2.00 64 A 37.19 5.62 5.60 3.32 3.15 3.12 2.75 2.36 2.36 2.05 2.01 1.92 1.89 1.83 1.75 1.63 1.55 1.53 1.41 1.33 1.31 1.29 1.29 1.23 1.13 1.13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 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 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 1.859 -24.141 -24.141 -24.141 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 0.00 2.00 2.00 2.00 14 16 15 24 23 25 26 20 22 21 17 19 40 30 32 28 29 27 34 36 38 18 1 42 46 52 O O O O O O O O O O O O O O O O O O O O O O Si O O O -23.817 2.00 65 A 35.05 10.70 4.75 4.47 3.91 3.28 2.86 2.64 2.55 2.07 1.97 1.90 1.73 1.67 1.66 1.38 1.21 1.19 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 S S S S S S S S S S S S S S S P:x S S S -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 1.859 -24.141 -24.141 -24.141 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 0.00 2.00 2.00 2.00 17 16 23 25 15 22 19 24 39 21 41 29 18 20 33 1 34 51 48 O O O O O O O O O O O O O O O Si O O O -23.814 2.00 66 A 28.23 21.42 4.39 4.33 3.97 3.81 3.21 3.00 2.38 2.32 2.13 2.05 1.76 1.12 1.05 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 S S S S S S S S S S S S P:y S P:z -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 1.859 -24.141 1.859 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 2.00 0.00 15 16 27 28 29 21 26 18 19 35 37 20 1 31 1 O O O O O O O O O O O O Si O Si -23.779 2.00 67 A 9.41 9.29 8.47 7.25 6.73 6.43 5.93 5.17 4.56 4.25 3.67 3.51 3.26 2.83 2.63 2.27 1.01 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 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 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 22 24 23 25 37 36 34 35 20 18 21 31 19 32 30 33 29 O O O O O O O O O O O O O O O O O -23.771 2.00 68 A 8.80 8.09 7.90 7.45 6.55 5.74 5.66 5.47 5.14 5.12 4.88 4.34 3.51 3.49 3.48 3.35 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 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 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 28 29 27 26 38 39 41 18 21 20 40 19 32 31 30 33 O O O O O O O O O O O O O O O O -23.538 2.00 69 A 8.75 7.80 6.79 6.76 6.07 5.85 5.72 5.19 5.04 4.83 4.82 4.76 4.03 3.78 3.71 3.47 1.08 1.01 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 S -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 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S S S S -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 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 34 35 37 36 24 25 22 23 40 41 30 14 26 27 16 31 32 O O O O O O O O O O O O O O O O O -23.469 2.00 72 A 11.68 10.71 9.07 8.08 6.34 5.90 5.37 4.94 4.54 3.60 2.89 2.62 2.50 2.11 2.03 1.74 1.68 1.61 1.15 1.10 1 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 S S S -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 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 39 33 30 40 29 19 20 36 26 32 17 18 38 22 41 28 27 14 31 21 O O O O O O O O O O O O O O O O O O O O -23.465 2.00 73 A 10.54 10.27 9.83 9.38 5.58 5.43 5.37 5.18 4.04 3.06 2.69 2.68 2.18 2.10 2.01 1.97 1.91 1.85 1.72 1.66 1.62 1 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O O O O O O O O O O O -23.313 2.00 75 A 9.73 9.42 8.98 8.76 8.25 8.22 8.15 7.41 2.43 2.41 2.29 2.28 2.27 2.25 2.22 2.18 2.10 2.05 1.87 1.86 1 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 S S S -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 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 28 38 23 26 37 40 25 35 30 18 34 22 32 20 24 27 36 39 29 41 O O O O O O O O O O O O O O O O O O O O -23.307 2.00 76 A 9.96 9.74 9.53 9.01 8.45 8.08 7.71 7.12 6.21 5.73 5.61 5.40 1 1 1 1 1 1 1 1 1 1 1 1 S S S S S S S S S S S S -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 -24.141 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 20 18 32 30 27 29 39 41 22 34 36 24 O O O O O O O O O O O O -23.204 2.00 77 A 5.11 4.65 4.56 4.44 4.36 4.32 4.22 4.16 4.03 3.97 3.95 3.94 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S P:z S S S S S S S P:x -13.915 -7.230 -13.915 -6.626 -6.626 -7.230 -6.626 -7.230 -6.626 -6.626 -13.915 -6.626 -6.626 -13.915 -6.626 10.872 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 2.00 1.00 0.00 58 54 61 84 85 54 83 54 82 77 60 74 81 59 80 83 C N C H H N H N H H C H H C H H -18.881 2.00 95 A 25.56 13.01 12.80 10.20 6.52 5.56 5.04 4.76 4.49 2.85 2.80 1.63 1.11 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y S P:z S S S S S S S S S P:z -13.915 -7.230 -13.915 -7.230 -6.626 -6.626 -6.626 -6.626 -13.915 -6.626 -6.626 -6.626 -6.626 10.872 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 0.00 65 55 64 55 93 92 90 94 63 87 89 91 86 92 C N C N H H H H C H H H H H -18.880 2.00 96 A 31.12 15.81 8.16 6.77 6.71 6.55 5.86 5.51 3.75 3.12 1.13 1.11 1.09 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x S P:z S S S S S S P:z S S P:y -13.915 -7.230 -6.626 -7.230 -6.626 -13.915 -6.626 -13.915 -6.626 -6.626 10.872 -6.626 -6.626 10.872 2.00 1.00 1.00 1.00 1.00 2.00 1.00 2.00 1.00 1.00 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1 1 1 S S P:z P:y P:x S S S S S S S P:z -13.915 -13.915 -7.230 -7.230 -7.230 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 10.872 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 63 64 55 55 55 88 86 91 87 90 89 97 88 C C N N N H H H H H H H H -18.846 2.00 100 A 30.57 16.20 7.76 7.30 7.14 6.46 6.13 5.03 3.76 3.24 1.25 1.10 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:z S S P:x S S S S S S S P:x -13.915 -7.230 -6.626 -13.915 -7.230 -6.626 -6.626 -13.915 -6.626 -6.626 -6.626 -6.626 10.872 2.00 1.00 1.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 0.00 60 54 79 61 54 77 78 59 80 76 82 84 78 C N H C N H H C H H H H H -18.846 2.00 101 A 26.78 16.26 9.54 7.21 6.88 6.64 6.43 4.93 3.96 3.25 2.02 1.50 -1.12 -1.08 1.00 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 S P:z S S S S P:x S S S S S P:z P:z S -13.915 -7.230 -13.915 -6.626 -6.626 -13.915 -7.230 -6.626 -6.626 -6.626 -6.626 -6.626 4.695 7.792 -6.626 2.00 1.00 2.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 0.00 1.00 70 57 71 121 119 73 57 120 110 118 112 116 72 57 111 C N C H H C N H H H H H C N H -18.844 2.00 102 A 25.37 22.48 16.33 8.06 6.48 5.78 3.43 2.83 2.11 1.59 1.50 -1.31 -1.29 -1.15 1 1 1 1 1 1 1 1 1 1 1 2 2 2 S P:y S S S S S S S S S P:y P:y P:y -13.915 -7.230 -13.915 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -13.915 7.792 4.695 4.695 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 0.00 0.00 0.00 73 57 71 117 111 116 118 112 110 114 72 57 72 70 C N C H H H H H H H C N C C -18.843 2.00 103 A 20.68 18.95 11.58 11.42 6.68 5.62 4.82 4.46 3.38 2.98 2.05 1.66 1.58 1.45 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:x P:z S S S S S S S S S S -13.915 -13.915 -7.230 -7.230 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -13.915 -6.626 -13.915 -6.626 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 2.00 1.00 66 68 56 56 108 101 107 103 109 102 69 106 67 100 C C N N H H H H H H C H C H -18.827 2.00 104 A 30.38 19.86 9.85 8.61 7.16 4.89 4.37 2.46 2.26 2.19 1.46 1.27 -1.22 1.20 1.07 1.05 -1.01 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 S P:y S S S S S S P:z S S P:x P:y S P:z P:x P:y -13.915 -7.230 -13.915 -6.626 -6.626 -6.626 -6.626 -13.915 -7.230 -6.626 -6.626 -7.230 7.792 -6.626 10.872 10.872 4.695 2.00 1.00 2.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 69 56 68 104 105 102 106 67 56 99 103 56 56 107 104 106 67 C N C H H H H C N H H N N H H H C -15.813 2.00 105 A 10.68 7.01 6.92 6.88 6.86 4.32 4.28 4.26 4.20 4.16 4.10 3.96 3.94 3.94 3.05 2.69 2.66 2.58 2.57 2.41 1.86 1.27 1.17 -1.06 1.06 -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 2 1 2 2 2 2 S S S S S S S S S S S S S S P:z S S P:x S P:y P:y P:z P:x S P:x S S -18.745 -13.915 -13.915 -13.915 -13.915 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -5.426 -6.626 -6.626 -5.426 -6.626 -5.426 -5.426 4.695 -5.426 2.536 4.695 2.536 2.536 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 0.67 1.00 0.67 0.67 0.00 0.67 0.00 0.00 0.00 0.00 55 63 64 62 65 94 86 95 87 97 93 89 90 91 64 96 92 62 88 65 63 64 63 96 62 92 88 N C C C C H H H H H H H H H C H H C H C C C C H C H H -15.800 2.00 106 A 10.68 6.95 6.91 6.87 6.86 4.30 4.28 4.27 4.15 4.13 4.03 3.99 3.94 3.90 3.13 2.82 2.69 2.69 2.45 2.40 1.51 1.23 -1.20 1.16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 S S S S S S S S S S S S S S S P:x S P:z P:y S P:y P:x S P:x -18.745 -13.915 -13.915 -13.915 -13.915 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -5.426 -6.626 -5.426 -5.426 -6.626 -5.426 -5.426 2.536 4.695 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 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.00 0.00 54 60 59 58 61 74 84 77 85 79 76 82 81 80 75 61 78 60 59 83 58 58 83 61 N C C C C H H H H H H H H H H C H C C H C C H C -15.795 2.00 107 A 10.67 6.94 6.94 6.90 6.85 4.36 4.24 4.22 4.19 4.16 4.11 3.98 3.97 3.88 3.05 2.82 2.82 2.74 2.45 2.16 2.11 1.26 -1.16 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 2 2 1 2 S S S S S S S S S S S S S S P:z P:y S S S P:x P:x 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5.20 4.39 4.11 3.52 3.50 3.50 3.16 3.07 2.27 1.93 1.88 1.84 1.79 1.73 1.69 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 S S P:y S S P:z S S S P:x P:x S P:y S P:y S -7.230 -5.426 -5.426 -5.426 -6.626 -6.626 -7.230 -6.626 -6.626 -5.426 -6.626 -6.626 -13.915 -5.426 -5.426 -13.915 -5.426 -6.626 -5.426 -6.626 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 2.00 0.67 0.67 2.00 0.67 1.00 0.67 1.00 55 64 65 63 91 94 55 95 88 62 89 93 64 62 65 65 64 87 62 96 N C C C H H N H H C H H C C C C C H C H -13.205 2.00 113 A 14.64 6.07 5.24 4.71 3.67 3.59 3.12 3.08 2.77 2.74 2.59 2.50 2.42 2.39 2.29 2.14 2.02 1.80 1.64 1.64 1.63 1.62 1.54 1.13 1.09 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 P:x P:x P:x P:z P:y S P:x S P:z S S S S P:z P:y S P:z P:y S S P:y S S P:x P:y S -7.230 -5.426 -5.426 -7.230 -5.426 -6.626 -5.426 -13.915 -5.426 -6.626 -6.626 -6.626 -6.626 -5.426 -7.230 -6.626 -5.426 -5.426 -6.626 -6.626 -7.230 -6.626 -6.626 -7.230 -5.426 -6.626 1.00 0.67 0.67 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A 14.59 10.30 9.12 6.34 6.25 5.61 5.52 5.13 4.47 3.68 3.63 3.11 1.93 1.63 1.61 1.32 1.32 1.13 1.09 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 S P:z P:x S S S P:x P:z S S P:y S P:y S S S -7.230 -5.426 -7.230 -6.626 -5.426 -5.426 -6.626 -6.626 -6.626 -5.426 -5.426 -13.915 -6.626 -5.426 -6.626 -5.426 -6.626 -6.626 -13.915 1.00 0.67 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 2.00 1.00 0.67 1.00 0.67 1.00 1.00 2.00 54 61 54 82 60 58 79 76 83 59 59 61 81 58 80 60 77 74 60 N C N H C C H H H C C C H C H C H H C -13.195 2.00 116 A 12.05 6.98 6.10 5.89 5.14 4.81 4.43 4.24 4.24 4.14 4.06 3.70 3.52 3.30 3.26 2.80 2.57 2.44 2.07 1.96 1.55 1.22 1.13 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:z P:y P:y S P:x P:x S S P:x P:z S S S P:y S S P:z S S P:y S -7.230 -7.230 -5.426 -7.230 -5.426 -6.626 -5.426 -5.426 -6.626 -6.626 -5.426 -5.426 -6.626 -13.915 -6.626 -5.426 -6.626 -6.626 -5.426 -6.626 -13.915 -5.426 -6.626 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 2.00 1.00 0.67 1.00 1.00 0.67 1.00 2.00 0.67 1.00 56 56 67 56 67 99 69 68 100 108 66 66 107 67 101 68 105 106 69 103 66 66 98 N N C N C H C C H H C C H C H C H H C H C C H -13.193 2.00 117 A 18.97 10.86 6.30 5.91 5.77 5.12 4.48 4.22 3.94 3.89 3.28 3.04 2.50 1.81 1.78 1.74 1.27 1.22 1.14 1.12 1.08 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 S P:z S S P:x P:y S S P:z S P:z S S P:y S S S P:x -7.230 -5.426 -5.426 -6.626 -5.426 -6.626 -6.626 -7.230 -5.426 -6.626 -13.915 -5.426 -6.626 -5.426 -6.626 -6.626 -7.230 -6.626 -13.915 -6.626 -5.426 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 1.00 2.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 2.00 1.00 0.67 57 70 73 120 72 117 111 57 71 113 70 71 121 73 116 119 57 114 73 112 72 N C C H C H H N C H C C H C H H N H C H C -13.189 2.00 118 A 17.40 9.51 5.51 5.30 4.90 4.50 4.37 4.36 4.32 4.07 3.42 2.78 2.77 2.61 2.61 2.50 2.37 1.63 1.44 1.42 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:z P:z S S S S P:y S S S S S S P:x P:y P:y -7.230 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:y P:y S S P:y S S S S P:x P:x P:z S S S P:x S -7.230 -5.426 -5.426 -5.426 -6.626 -6.626 -5.426 -6.626 -6.626 -6.626 -6.626 -7.230 -5.426 -5.426 -13.915 -13.915 -6.626 -5.426 -6.626 1.00 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 2.00 2.00 1.00 0.67 1.00 57 71 70 72 112 118 73 119 110 115 116 57 73 73 71 73 114 72 121 N C C C H H C H H H H N C C C C H C H -13.172 2.00 121 A 17.51 7.83 7.17 6.53 5.11 4.73 4.44 4.27 4.11 3.57 3.25 3.11 2.86 2.85 2.70 2.69 2.62 2.09 1.98 1.90 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 S S S S P:y S P:z S S S P:x S P:z S P:x -7.230 -5.426 -5.426 -7.230 -5.426 -6.626 -6.626 -6.626 -6.626 -5.426 -13.915 -5.426 -6.626 -6.626 -6.626 -5.426 -6.626 -5.426 -13.915 -5.426 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 2.00 0.67 1.00 1.00 1.00 0.67 1.00 0.67 2.00 0.67 56 69 68 56 66 105 106 103 101 67 69 67 100 108 99 69 107 66 68 68 N C C N C H H H H C C C H H H C H C C C -12.888 2.00 122 A 1.70 1.68 1.67 1.67 1.64 1.57 1.56 1.52 1.52 1.52 1.51 1.47 1.47 1.45 1.44 1.44 1.44 1.44 1.42 1.41 1.40 1.40 1.38 1.37 1.37 1.36 1.34 1.33 1.31 1.31 1.31 1.30 1.27 1.27 1.26 1.25 1.23 1.23 1.22 1.21 1.21 1.20 1.20 1.18 1.17 1.16 1.16 1.15 1.11 1.11 1.10 1.09 1.08 1.07 1.05 1.04 1.04 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xz D:yz D:xz P:x P:y D:yz D:yz D:xy P:y D:yz D:xy P:y D:xz D:xy P:x P:x P:x P:y P:z P:z D:xy P:z D:xz P:z D:xz P:z P:z P:z P:y P:y D:yz D:xz D:yz D:xy D:xy P:z P:x P:y D:xy D:xy P:x P:x P:x D:xz P:y D:yz D:yz P:x D:xz P:y P:y P:x P:x P:x P:z P:z P:z P:z P:y P:z -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 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P:z P:y P:y P:y P:z P:y D:yz D:xz D:xz P:x P:x D:xz D:xz P:x P:z P:z D:xz P:z D:yz -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -9.204 -4.627 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 26 19 25 25 26 33 40 35 19 35 28 33 40 28 32 18 22 22 36 2 5 11 38 18 4 13 32 36 38 3 23 3 O O O O O O O O O O O O O O O O O O O W W W O O W W O O O W O W -12.819 2.00 124 A 3.22 2.80 2.61 2.57 2.34 2.24 2.16 2.13 2.12 2.09 2.00 2.00 1.98 1.81 1.81 1.75 1.70 1.69 1.68 1.65 1.61 1.55 1.52 1.51 1.49 1.46 1.44 1.36 1.35 1.29 1.28 1.22 1.21 1.18 1.12 1.11 1.10 1.06 1.05 1.05 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 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:x P:x P:x P:y P:z P:z P:z P:z P:y P:z P:x P:y P:z D:xy P:x P:z D:yz P:x P:x D:xy P:x P:y P:y P:z D:yz P:x D:yz P:y P:x D:xy D:xy D:yz D:xy P:z P:x D:yz P:y P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 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 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 18 22 22 20 28 18 38 23 23 28 36 38 32 39 20 36 29 10 32 37 13 29 39 11 21 24 30 24 12 30 10 37 31 3 5 11 12 41 41 7 21 27 O O O O O O O O O O O O O O O O O W O O W O O W O O O O W O W O O W W W W O O W O O -12.817 2.00 125 A 4.07 3.95 3.50 3.20 3.10 2.94 2.91 2.81 2.71 2.64 2.51 2.40 2.33 2.22 2.16 2.14 1.88 1.80 1.79 1.77 1.72 1.65 1.58 1.55 1.51 1.38 1.28 1.22 1.12 1.08 1.08 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 1 1 1 P:x P:z P:x P:y P:z P:y P:x P:y P:z P:z P:z P:y P:y P:x P:x P:y P:z D:xz P:y P:y P:x P:z P:z D:xz D:xy D:xz D:xz P:x P:x D:xy D:xy D:xy P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -4.627 -9.204 1.33 1.33 1.33 1.33 1.33 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 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 21 27 27 24 24 34 31 21 41 34 29 20 31 29 41 30 23 9 23 37 20 37 39 10 7 12 6 39 30 8 6 2 19 O O O O O O O O O O O O O O O O O W O O O O O W W W W O O W W W O -12.239 2.00 126 A 6.66 5.67 4.43 3.09 2.05 1.95 1.94 1.88 1.86 1.84 1.80 1.76 1.70 1.60 1.58 1.47 1.46 1.40 1.37 1.33 1.31 1.30 1.28 1.27 1.26 1.25 1.24 1.18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 P:x P:x P:z P:z P:x D:yz D:yz P:z D:xz D:yz D:xy P:z P:z P:x P:x P:y D:xz P:y P:y P:z P:y D:xz P:y P:y D:xz P:y P:z D:yz -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.152 -9.204 -9.204 -9.204 -4.627 1.859 -9.204 -4.627 -9.204 -9.204 -4.627 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.67 1.33 1.33 1.33 0.80 0.00 1.33 0.80 1.33 1.33 0.80 14 17 14 16 34 12 5 17 11 2 6 30 25 19 36 23 13 1 14 15 25 12 1 40 10 35 23 11 O O O O O W W O W W W O O O O O W Si O O O W Si O W O O W -12.234 2.00 127 A 6.25 5.18 4.66 3.78 3.56 2.15 2.04 1.94 1.87 1.86 1.76 1.68 1.68 1.67 1.60 1.47 1.40 1.29 1.25 1.23 1.19 1.18 1.18 1.17 1.16 1.15 1.14 1.08 1.07 1.03 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 2 1 1 1 P:y P:x P:x P:y P:z P:x P:z P:y D:yz D:yz P:z D:xz P:z D:yz P:y P:x D:xy P:z D:yz P:x P:z P:y D:xy P:y P:y D:xy P:x P:z P:z D:xy P:z D:xz -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 -4.627 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -4.152 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 1.859 -4.627 -9.204 -4.627 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 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.67 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.00 0.80 1.33 0.80 15 16 15 14 15 37 17 38 13 3 22 9 31 10 24 27 3 29 4 18 1 36 2 22 20 4 35 41 1 10 34 6 O O O O O O O O W W O W O W O O W O W O Si O W O O W O O Si W O W -12.232 2.00 128 A 6.20 5.61 3.40 2.82 2.77 2.10 2.05 1.96 1.92 1.89 1.72 1.71 1.54 1.53 1.52 1.51 1.50 1.49 1.48 1.38 1.37 1.31 1.27 1.21 1.21 1.18 1.16 1.12 1.08 1.05 1.02 1.01 1.00 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 1 1 1 1 1 1 P:y P:y P:z P:z P:z D:yz P:x P:z D:xz P:y D:xz P:x P:x D:xz D:xy D:yz P:z P:y D:yz P:z D:yz P:x P:z D:xy P:z P:x D:xz P:x D:xy P:y D:xy P:y P:x -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -4.152 1.859 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -4.627 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.67 0.00 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 17 16 16 14 17 7 16 15 4 41 8 1 1 5 11 6 32 39 8 26 9 28 33 13 28 26 7 21 12 18 10 19 35 O O O O O W O O W O W Si Si W W W O O W O W O O W O O W O W O W O O -12.156 2.00 129 A 4.78 4.68 3.91 3.34 3.27 3.25 2.61 2.56 2.53 2.51 2.24 2.23 2.17 2.12 2.12 2.10 1.94 1.90 1.87 1.76 1.75 1.74 1.62 1.60 1.58 1.38 1.35 1.31 1.30 1.26 1.24 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 1 1 1 1 1 1 1 1 1 P:y P:z P:y P:z D:yz D:yz P:y P:x P:z P:z P:z D:xz P:y D:yz D:yz P:x D:xz P:z P:y P:y P:y P:x P:z P:z D:xy P:x P:z P:y D:xy P:x D:yz D:yz P:x -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -4.627 -4.627 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 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1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 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 1.33 0.80 1.33 1.33 1.33 1.33 29 29 19 26 26 3 6 8 6 19 39 5 28 22 8 20 33 39 28 22 36 33 5 36 40 40 30 3 27 20 27 38 O O O O O W W W W O O W O O W O O O O O O O W O O O O W O O O O -12.146 2.00 131 A 5.67 4.16 4.06 2.96 2.83 2.79 2.73 2.69 2.68 2.62 2.61 2.55 2.44 2.32 2.31 2.30 2.21 1.91 1.85 1.82 1.81 1.78 1.75 1.62 1.59 1.54 1.52 1.17 1.10 1.09 1.07 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 1 P:x P:y P:y P:y D:xy P:x P:z D:xy D:xz P:z P:x P:x D:xy D:xz D:xy P:y P:x P:y D:yz P:z P:z P:y D:yz P:x P:x P:y P:z P:y P:x P:z P:x D:xy -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 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 0.80 21 18 21 20 7 31 28 10 7 23 18 28 9 9 12 23 20 31 10 37 38 32 12 38 19 37 27 19 32 24 27 11 O O O O W O O W W O O O W W W O O O W O O O W O O O O O O O O W -12.036 2.00 132 A 3.53 3.44 3.36 3.23 2.90 2.90 2.82 2.61 2.53 2.41 2.41 2.32 2.29 2.27 2.10 2.06 2.03 1.97 1.92 1.88 1.64 1.62 1.54 1.49 1.37 1.33 1.22 1.15 1.08 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 P:z P:z P:z P:z P:y P:y P:y P:y P:x P:z P:z P:x P:z P:z P:y P:y P:y P:x P:x P:y D:xz P:x P:x D:xz D:xz D:xz P:x P:x D:xy D:xy P:y P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 25 24 22 23 22 24 25 23 19 34 35 21 37 36 36 34 35 20 18 37 10 33 31 11 12 13 30 32 3 5 20 18 O O O O O O O O O O O O O O O O O O O O W O O W W W O O W W O O -12.028 2.00 133 A 3.61 3.47 3.40 3.02 2.98 2.87 2.84 2.45 2.41 2.40 2.39 2.37 2.28 2.28 2.25 2.06 2.02 1.96 1.87 1.81 1.76 1.68 1.65 1.64 1.56 1.52 1.51 1.46 1.42 1.32 1.19 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 P:z P:z P:z P:y P:z P:y P:x P:x P:y P:x P:z P:z P:y P:z P:x P:x P:z P:y P:y P:x P:x D:yz D:yz P:x P:x D:yz P:y P:x P:y D:yz P:x P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 1.33 1.33 0.80 1.33 1.33 29 27 26 20 28 18 26 28 19 29 39 41 21 40 27 40 38 30 32 39 38 6 7 41 19 8 33 21 31 9 33 31 O O O O O O O O O O O O O O O O O O O O O W W O O W O O O W O O -11.930 2.00 134 A 4.32 3.98 3.59 3.55 3.23 3.18 3.16 2.92 2.53 2.20 2.03 1.94 1.91 1.86 1.85 1.81 1.74 1.71 1.66 1.48 1.46 1.42 1.36 1.35 1.28 1.28 1.19 1.17 1.16 1 1 1 1 1 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:z P:z P:y P:x P:z P:y P:z P:x P:y P:y P:y P:x P:x P:z P:z P:z P:y P:z P:x P:y P:y P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 14 23 25 21 23 17 25 14 29 19 27 37 35 16 19 37 21 14 34 31 35 30 39 33 27 29 31 40 15 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -11.925 2.00 135 A 4.06 3.93 3.90 3.85 3.57 3.44 3.07 2.54 2.33 2.19 2.11 2.09 2.07 1.89 1.85 1.67 1.65 1.64 1.50 1.47 1.46 1.40 1.32 1.32 1.22 1.19 1.16 1.16 1 1 1 1 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:x P:y P:y P:x P:z 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:x P:x P:y P:z P:z P:y P:z P:x P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 26 28 17 16 16 26 19 24 22 38 38 16 40 21 21 40 24 33 35 15 22 14 36 41 34 31 32 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -11.923 2.00 136 A 4.33 4.25 3.67 3.57 3.33 3.25 3.15 2.84 2.82 2.37 2.24 2.20 2.12 2.03 1.86 1.83 1.73 1.68 1.64 1.62 1.59 1.53 1.45 1.44 1.43 1.32 1.31 1.27 1.12 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 P:y P:z P:y P:y P:x P:z P:z P:y P:x P:z P:x P:x P:y P:y P:y P:z P:x P:x P:x P:y P:y P:z P:x P:y P:z P:z P:x P:x P:x P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 18 15 15 20 20 17 27 22 29 24 18 15 32 14 30 29 30 16 27 36 38 31 39 24 22 41 37 32 41 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 O -11.793 2.00 137 A 2.40 2.18 2.15 2.15 1.71 1.70 1.70 1.64 1.52 1.48 1.48 1.45 1.42 1.40 1.38 1.29 1.29 1.28 1.27 1.27 1.25 1.25 1.25 1.23 1.21 1.20 1.19 1.18 1.18 1.16 1.16 1.13 1.12 1.11 1.09 1.06 1.05 1.05 1.05 1.04 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 1 D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:x D:x2-y2 P:z P:y P:x P:z P:z P:y P:y P:z P:z P:y P:y P:x P:y P:x P:x P:y P:y P:y P:y P:x P:x P:x P:z P:x P:z P:x P:x P:z P:z -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2 3 5 4 10 11 6 7 12 13 8 23 9 18 27 22 36 19 26 25 22 21 33 24 29 19 32 18 34 31 21 35 39 30 28 28 38 20 20 25 38 25 W W W W W W W W W W W O W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -11.329 2.00 138 A 3.58 2.43 2.42 2.37 2.34 2.29 2.29 2.22 1.94 1.92 1.84 1.65 1.57 1.57 1.56 1.55 1.53 1.49 1.42 1.33 1.17 1.10 1.09 1.09 1.08 1.07 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 P:x D:z2 D:z2 P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:x D:z2 P:z D:x2-y2 D:x2-y2 P:x P:x P:x P:z -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 1.33 0.80 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 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 15 12 11 16 22 35 18 15 17 16 25 30 33 23 17 19 34 14 21 10 14 2 13 37 32 24 34 O W W O O O O O O O O O O O O O O O O W O W W O O O O -11.310 2.00 139 A 7.04 3.80 3.58 3.57 3.40 2.93 2.82 2.75 2.44 2.33 1.91 1.88 1.67 1.60 1.58 1.56 1.45 1.37 1.24 1.21 1.19 1.15 1.13 1.12 1.06 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 P:x P:z P:x P:x D:xz D:xy P:z P:y P:y P:x D:yz D:xz P:y P:z P:y P:x P:x P:z P:y P:y D:z2 D:x2-y2 P:x P:z D:xy D:z2 P:x D:yz -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 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S P:x S -5.426 -5.426 -5.426 -5.426 -5.426 -5.426 -5.426 -5.426 -5.426 -5.426 -6.626 -6.626 -6.626 -5.426 -6.626 -5.426 -5.426 -6.626 -6.626 -6.626 -5.426 -6.626 -6.626 -6.626 -5.426 -5.426 -6.626 -6.626 -6.626 -6.626 -6.626 -5.426 -6.626 -6.626 -6.626 -5.426 -6.626 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 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 0.67 1.00 63 73 65 70 71 64 72 62 68 62 95 91 94 66 88 72 64 114 116 110 67 121 113 111 69 71 99 120 117 108 105 59 96 101 87 69 93 C C C C C C C C C C H H H C H C C H H H C H H H C C H H H H H C H H H C H -11.172 2.00 148 A 7.12 6.83 6.53 6.49 3.55 3.31 3.14 3.13 2.60 2.55 2.50 2.49 2.46 2.25 2.22 2.04 1.99 1.37 1.13 1.12 1.07 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:x P:z P:z P:x S S S S P:y P:z S S S P:y S P:y P:z P:z S S P:y S -5.426 -5.426 -5.426 -5.426 -6.626 -6.626 -6.626 -6.626 -5.426 -5.426 -6.626 -6.626 -6.626 -5.426 -6.626 -5.426 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96 89 87 63 61 101 58 99 69 108 105 59 65 69 76 65 83 82 79 70 66 73 C C C C C C C C H H H H C C H C H C H H C C C H C H H H C C C -11.157 2.00 150 A 5.49 5.40 4.51 3.23 2.75 2.71 2.57 2.54 2.47 2.36 2.27 2.17 1.86 1.76 1.51 1.46 1.38 1.37 1.36 1.31 1.28 1.24 1.22 1.21 1.21 1.20 1.20 1.19 1.14 1.13 1.11 1.09 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:z P:x P:z P:x P:y S S P:z S S P:z P:y P:y P:x S P:y S P:x P:x S S S S S S S P:z P:y S S S P:x P:z -5.426 -5.426 -5.426 -5.426 -5.426 -6.626 -6.626 -5.426 -6.626 -6.626 -5.426 -5.426 -5.426 -5.426 -6.626 -5.426 -6.626 -5.426 -5.426 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -5.426 -5.426 -6.626 -6.626 -6.626 -5.426 -5.426 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 66 68 69 67 67 99 108 71 105 101 65 72 64 63 98 62 102 70 73 90 97 114 86 104 121 109 73 70 116 110 92 64 62 C C C C C H H C H H C C C C H C H C C H H H H H H H C C H H H C C -11.155 2.00 151 A 6.53 5.29 4.95 4.07 3.17 3.15 3.08 3.06 3.01 2.71 2.02 1.95 1.87 1.67 1.59 1.59 1.52 1.48 1.46 1.41 1.27 1.24 1.23 1.22 1.20 1.19 1.09 1.08 1.08 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:x P:z S S P:y S S P:x P:y P:y P:z P:x S P:z S S S P:y P:x P:x S P:y P:z S S S P:y S -5.426 -5.426 -5.426 -5.426 -6.626 -6.626 -5.426 -6.626 -6.626 -5.426 -5.426 -5.426 -5.426 -5.426 -6.626 -5.426 -6.626 -6.626 -6.626 -5.426 -5.426 -5.426 -6.626 -5.426 -5.426 -6.626 -6.626 -6.626 -5.426 -6.626 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.67 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 0.67 0.67 1.00 1.00 1.00 0.67 1.00 60 61 58 59 76 82 66 83 79 69 68 58 67 59 100 72 106 107 103 71 70 73 77 59 61 84 75 81 67 113 C C C C H H C H H C C C C C H C H H H C C C H C C H H H C H -11.135 2.00 152 A 5.41 5.40 3.44 3.26 3.03 3.01 2.86 2.67 2.60 2.32 2.28 2.27 2.26 2.12 2.10 2.07 2.06 2.06 1.95 1.90 1.87 1.83 1.81 1.76 1.67 1.66 1.59 1.59 1.43 1.25 1 1 1 1 1 1 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:y P:y P:z P:x P:z P:z S P:z S S P:x S S S S P:x S S S S S S S P:x P:x S S -5.426 -5.426 -5.426 -5.426 -5.426 -5.426 -5.426 -5.426 -5.426 -6.626 -5.426 -6.626 -6.626 -5.426 -6.626 -6.626 -6.626 -6.626 -5.426 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -5.426 -5.426 -6.626 -6.626 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 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 66 68 67 71 70 72 69 69 67 107 73 98 100 70 109 102 104 103 73 120 111 117 113 119 106 115 71 72 112 118 C C C C C C C C C H C H H C H H H H C H H H H H H H C C H H -11.119 2.00 153 A 3.25 2.80 2.70 2.61 1.97 1.85 1.81 1.76 1.70 1.68 1.62 1.49 1.46 1.39 1.39 1.38 1.38 1.33 1.29 1.24 1.22 1.18 1.15 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 1 1 1 1 1 1 1 1 P:y P:x P:z P:y P:y S P:x P:y P:z S S P:y P:z P:x S P:z P:z 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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 D:z2 P:z D:z2 D:z2 P:y P:z P:z P:z P:z P:z P:y P:y P:y P:z P:y P:z P:y D:x2-y2 D:xz P:y D:x2-y2 D:z2 P:y P:x D:z2 P:y P:x P:y P:z D:x2-y2 P:y P:y P:y P:z -4.627 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 0.80 1.33 0.80 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 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 7 32 8 6 42 39 30 47 16 14 44 38 39 38 48 46 41 3 4 40 6 9 43 41 13 49 37 15 53 7 14 35 45 52 W O W W O O O O O O O O O O O O O W W O W W O O W O O O O W O O O O -10.426 2.00 161 A 3.99 3.29 2.98 2.81 2.08 2.02 1.98 1.90 1.89 1.83 1.72 1.72 1.70 1.61 1.56 1.55 1.51 1.45 1.44 1.42 1.38 1.33 1.32 1.22 1.11 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 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O O O O W O O O O O W O W W O O O O O O W O O O O O O W -10.372 2.00 166 A 3.69 2.52 2.29 2.17 2.07 1.93 1.85 1.75 1.75 1.73 1.67 1.65 1.63 1.59 1.53 1.53 1.50 1.49 1.46 1.43 1.38 1.30 1.18 1.17 1.16 1.15 1.15 1.12 1.10 1.07 1.07 1.04 1.03 1.03 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 1 1 1 1 1 1 P:y D:x2-y2 P:x P:z D:x2-y2 P:y P:y D:xy P:z P:z P:x P:z D:x2-y2 P:z P:y P:x P:y P:y D:x2-y2 P:y P:x P:z D:xy D:z2 D:x2-y2 P:x P:z D:x2-y2 P:z P:y P:z D:z2 P:y P:z P:z P:x -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 1.33 0.80 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 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 26 6 24 40 11 27 40 8 51 42 30 49 9 41 18 25 38 22 7 34 32 44 9 2 10 43 36 8 46 20 48 13 23 14 20 20 O W O O W O O W O O O O W O O O O O W O O O W W W O O W O O O W O O O O -10.241 2.00 167 A 3.95 3.17 2.46 2.33 2.32 2.22 2.06 1.98 1.78 1.77 1.76 1.57 1.55 1.54 1.41 1.41 1.40 1.38 1.35 1.32 1.28 1.28 1.26 1.20 1.18 1.18 1.15 1.14 1.09 1.07 1.04 1.04 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 S P:z P:z P:z S P:z S P:x P:y S P:y P:z P:z P:y P:z P:z P:z D:z2 S P:z P:y P:z S D:z2 P:z P:y P:z D:z2 P:z P:y P:y P:x P:z P:y -6.626 -5.426 -7.230 -9.204 -6.626 -5.426 -6.626 -9.204 -9.204 -6.626 -9.204 -7.230 -5.426 -9.204 -5.426 -9.204 -5.426 -4.627 -6.626 -5.426 -9.204 -9.204 -6.626 -4.627 -9.204 -9.204 -9.204 -4.627 -5.426 -9.204 -9.204 -9.204 -9.204 -5.426 1.00 0.67 1.00 1.33 1.00 0.67 1.00 1.33 1.33 1.00 1.33 1.00 0.67 1.33 0.67 1.33 0.67 0.80 1.00 0.67 1.33 1.33 1.00 0.80 1.33 1.33 1.33 0.80 0.67 1.33 1.33 1.33 1.33 0.67 92 65 55 29 90 64 110 27 43 113 34 57 71 24 72 21 70 7 96 62 28 22 88 9 18 47 51 3 63 49 36 39 52 64 H C N O H C H O O H O N C O C O C W H C O O H W O O O W C O O O O C -10.229 2.00 168 A 3.09 2.69 2.59 2.56 2.41 2.33 2.25 2.19 2.00 1.99 1.96 1.82 1.55 1.54 1.53 1.49 1.46 1.31 1.30 1.29 1.22 1.12 1.11 1.09 1.06 1.06 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 S P:z S P:x P:x P:y P:x P:x P:y P:x P:z P:z P:x P:x P:x S P:z S P:y P:x S D:x2-y2 D:x2-y2 P:x P:y P:x P:x P:z -6.626 -9.204 -6.626 -9.204 -9.204 -9.204 -5.426 -7.230 -9.204 -5.426 -9.204 -9.204 -5.426 -9.204 -9.204 -6.626 -9.204 -6.626 -5.426 -9.204 -6.626 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 1.00 1.33 1.00 1.33 1.33 1.33 0.67 1.00 1.33 0.67 1.33 1.33 0.67 1.33 1.33 1.00 1.33 1.00 0.67 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 83 26 75 21 28 19 58 54 33 61 40 47 59 40 43 121 51 110 70 42 78 3 7 33 38 23 22 53 H O H O O O C N O C O O C O O H O H C O H W W O O O O O -10.211 2.00 169 A 4.34 2.88 2.81 2.36 1.98 1.91 1.68 1.62 1.54 1.47 1.41 1.33 1.33 1.31 1.27 1.26 1.26 1.25 1.17 1.09 1.07 1.07 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:x P:z P:y P:y P:x D:xz P:z P:x S S P:z P:z P:z P:y P:y P:x P:x P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -5.426 -9.204 -9.204 -4.627 -9.204 -9.204 -6.626 -6.626 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 0.67 1.33 1.33 0.80 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 35 25 35 40 26 45 66 52 33 12 44 41 107 108 25 52 42 44 34 53 19 45 O O O O O O C O O W O O H H O O O O O O O O -10.185 2.00 170 A 3.88 3.31 2.81 2.76 2.62 2.00 1.99 1.88 1.76 1.72 1.70 1.64 1.62 1.59 1.55 1.55 1.51 1.51 1.50 1.41 1.39 1.13 1.04 1.04 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 P:x P:z P:y P:y S P:x P:y P:y P:z P:z P:z P:x P:z P:z P:x P:z P:x P:x P:x P:z P:y P:x P:x S S P:y -9.204 -9.204 -9.204 -9.204 -6.626 -5.426 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -5.426 -9.204 -9.204 -7.230 -9.204 -9.204 -9.204 -9.204 -5.426 -6.626 -6.626 -9.204 1.33 1.33 1.33 1.33 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1.27 1.22 1.20 1.18 1.17 1.17 1.07 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:x P:z P:z P:z P:y P:x P:x P:x P:x P:z P:y P:y P:z P:x P:y P:x P:z P:z P:z P:x P:y P:x P:y P:y P:x P:y P:z P:y D:x2-y2 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 33 39 27 36 31 44 41 19 31 29 27 19 41 21 33 24 40 44 20 32 22 39 21 30 29 36 50 42 4 O O O O 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 -10.156 2.00 173 A 4.39 2.32 2.30 1.90 1.88 1.88 1.69 1.64 1.60 1.57 1.56 1.47 1.39 1.38 1.33 1.27 1.25 1.21 1.20 1.15 1.12 1.09 1.09 1.07 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:y P:y P:x P:y P:y P:y P:z S P:x P:y P:x P:x P:x P:x P:x P:x P:x P:y P:z P:y P:z S P:y P:x P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -5.426 -6.626 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -6.626 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 0.67 1.00 1.33 1.33 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 1.33 1.33 30 20 20 36 29 46 61 80 50 53 32 15 53 30 51 46 49 18 37 37 36 81 31 22 41 O O O O O O C H O O O O O O O O O O O O O H O O O -10.145 2.00 174 A 3.56 3.43 2.94 2.44 2.40 2.26 1.87 1.85 1.79 1.72 1.57 1.52 1.49 1.44 1.39 1.38 1.35 1.27 1.24 1.18 1.16 1.12 1.11 1.09 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 P:x P:z P:z P:y P:x P:x P:x P:z P:y P:x S P:x P:y D:yz P:y P:z P:y P:z S P:y P:z P:z P:z P:y S P:y P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -6.626 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -6.626 -5.426 -9.204 -9.204 -5.426 -9.204 -6.626 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.00 0.67 1.33 1.33 0.67 1.33 1.00 1.33 1.33 32 36 39 32 33 29 49 35 38 30 89 39 30 9 18 48 53 17 96 64 43 49 62 51 90 22 36 O O O O O O O O O O H O O W O O O O H C O O C O H O O -10.130 2.00 175 A 8.19 6.88 6.82 6.69 6.69 6.51 6.47 6.35 5.94 4.65 4.44 2.46 2.27 2.07 1.87 1.20 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 P:x P:x P:x S S S P:x S P:x S S P:y P:y P:y P:y P:x -7.230 -5.426 -5.426 -6.626 -6.626 -6.626 -5.426 -6.626 -5.426 -6.626 -6.626 -5.426 -7.230 -5.426 -5.426 7.792 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.00 55 64 62 93 97 89 63 86 65 91 94 63 55 65 62 55 N C C H H H C H C H H C N C C N -10.125 2.00 176 A 8.77 8.00 7.97 6.25 5.41 5.14 5.10 4.88 3.34 3.00 1.83 1.76 1.66 1.57 1.16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 P:y P:y S P:y P:y S P:y S S S S S S P:x P:y -5.426 -7.230 -6.626 -5.426 -5.426 -6.626 -5.426 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -5.426 7.792 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.00 62 55 95 65 63 90 64 87 97 94 93 89 91 65 55 C N H C C H C H H H H H H C N -10.118 2.00 177 A 6.79 4.69 4.45 4.41 3.79 3.64 3.48 3.34 3.15 3.01 2.79 2.27 2.17 1.76 1.65 1.56 1.54 1.37 1.30 1.22 1.19 1.18 1.18 1.17 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 S S P:z S P:z P:z S P:y P:y P:y S P:z P:y S S S P:y S P:x P:x P:z P:x S P:y P:y P:x -6.626 -6.626 -5.426 -6.626 -5.426 -7.230 -6.626 -5.426 -7.230 -5.426 -6.626 -5.426 -5.426 -6.626 -6.626 -6.626 -5.426 -6.626 -5.426 -5.426 -5.426 -5.426 -6.626 -7.230 -5.426 -7.230 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 85 79 58 84 60 54 81 59 54 58 76 59 61 115 74 121 60 80 59 71 61 58 117 57 72 57 H H C H C N H C N C H C C H H H C H C C C C H N C N -10.115 2.00 178 A 5.52 5.43 5.23 4.89 4.24 4.01 3.65 3.45 3.25 2.50 2.17 2.08 1.93 1.92 1.90 1.88 1.86 1.77 1.60 1.44 1.44 1.38 1.20 1.13 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:z P:z S P:z S P:z S S S P:x S S P:x S P:x P:x S P:x S S S P:x -7.230 -6.626 -5.426 -5.426 -6.626 -5.426 -6.626 -5.426 -6.626 -6.626 -6.626 -5.426 -6.626 -6.626 -5.426 -6.626 -7.230 -5.426 -6.626 -5.426 -6.626 -6.626 -6.626 -5.426 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 0.67 54 84 58 60 80 61 76 59 77 95 94 70 82 121 65 115 57 71 120 72 74 117 112 62 N H C C H C H C H H H C H H C H N C H C H H H C -10.114 2.00 179 A 6.68 6.10 5.68 4.69 4.13 3.84 3.67 3.37 1.99 1.90 1.81 1.80 1.71 1.64 1.50 1.50 1.44 1.44 1.35 1.33 1.22 1.19 1.17 1.16 1.10 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 S S S P:y P:y P:y P:y P:y S S P:x P:x P:x P:z P:z P:x P:z S P:x S S P:x P:z S P:x P:z -6.626 -6.626 -6.626 -7.230 -5.426 -5.426 -5.426 -5.426 -6.626 -6.626 -7.230 -5.426 -5.426 -7.230 -5.426 -5.426 -5.426 -6.626 -5.426 -6.626 -6.626 -7.230 -5.426 -6.626 -5.426 -5.426 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 1.00 0.67 0.67 82 77 74 54 61 59 58 60 115 121 57 71 70 54 58 72 60 81 58 117 85 54 61 84 61 59 H H H N C C C C H H N C C N C C C H C H H N C H C C -10.109 2.00 180 A 8.60 8.39 7.94 7.63 6.89 6.39 6.17 5.74 5.70 5.67 3.39 2.63 2.61 2.61 1.94 1.41 1.22 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 P:y S P:y P:y S S S S P:y P:y S P:x P:x P:x P:x P:x P:y P:y -7.230 -6.626 -5.426 -5.426 -6.626 -6.626 -6.626 -6.626 -5.426 -5.426 -6.626 -5.426 -5.426 -7.230 -5.426 -5.426 7.792 4.695 1.00 1.00 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.00 0.00 57 114 72 73 116 111 119 120 70 71 112 70 73 57 72 71 57 73 N H C C H H H H C C H C C N C C N C -10.107 2.00 181 A 4.62 4.07 3.59 3.41 3.06 2.26 2.23 2.23 2.12 2.10 1.53 1.47 1.28 1.25 1.17 1.14 1.05 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S S P:z P:x P:x P:x P:x P:x S S P:x P:x P:x P:z P:y S P:y P:y -6.626 -6.626 -6.626 -5.426 -5.426 -5.426 -5.426 -5.426 -7.230 -6.626 -6.626 -5.426 -5.426 -7.230 -9.204 -5.426 -6.626 -5.426 -9.204 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.33 0.67 1.00 0.67 1.33 95 96 94 62 65 72 62 71 57 115 112 73 63 55 34 59 117 62 34 H H H C C C C C N H H C C N O C H C O -10.103 2.00 182 A 7.41 7.11 7.07 6.78 6.71 6.24 4.37 3.31 3.26 3.19 3.14 1.38 1.24 1.22 1.22 1.13 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 P:z S P:z P:z P:z S S P:z S S S P:y P:x S P:y S P:z -7.230 -6.626 -5.426 -5.426 -5.426 -6.626 -6.626 -5.426 -6.626 -6.626 -6.626 -5.426 -5.426 -6.626 -5.426 -6.626 7.792 1.00 1.00 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 1.00 0.00 56 100 68 67 66 108 104 69 103 99 109 67 67 107 69 102 56 N H C C C H H C H H H C C H C H N -10.093 2.00 183 A 8.89 8.20 7.69 7.14 6.72 6.71 6.14 5.71 5.33 5.18 4.80 1.81 1.63 1.54 1.42 1.38 1.34 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 P:y P:y P:y S P:y S S P:y S S S P:z P:z P:z P:z P:z P:y -7.230 -5.426 -5.426 -6.626 -5.426 -6.626 -6.626 -5.426 -6.626 -6.626 -6.626 -7.230 -5.426 -5.426 -5.426 -5.426 7.792 1.00 0.67 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.00 56 69 67 99 68 105 102 66 107 103 109 56 67 66 68 69 56 N C C H C H H C H H H N C C C C N -10.093 2.00 184 A 2.66 2.46 2.27 2.12 2.09 1.96 1.77 1.66 1.60 1.50 1.43 1.33 1.21 1.21 1.17 1.15 1.10 1.10 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 P:z P:y P:x S P:y P:y P:y P:y P:y P:x P:x S P:y P:x S P:y P:x S S P:x P:z S -9.204 -9.204 -9.204 -6.626 -9.204 -7.230 -5.426 -5.426 -5.426 -9.204 -5.426 -6.626 -5.426 -9.204 -6.626 -5.426 -9.204 -6.626 -6.626 -5.426 -5.426 -6.626 1.33 1.33 1.33 1.00 1.33 1.00 0.67 0.67 0.67 1.33 0.67 1.00 0.67 1.33 1.00 0.67 1.33 1.00 1.00 0.67 0.67 1.00 38 32 38 83 18 56 67 66 69 36 58 92 58 28 109 68 32 105 112 61 65 115 O O O H O N C C C O C H C O H C O H H C C H -10.087 2.00 185 A 3.73 3.66 3.45 3.39 3.23 3.20 3.19 2.62 2.57 2.18 1.81 1.74 1.46 1.35 1.28 1.25 1.20 1.20 1.18 1.15 1.05 1 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 P:z S S P:z S S S S P:x P:z P:z P:x D:xy S P:z S P:y -5.426 -6.626 -6.626 -5.426 -5.426 -6.626 -6.626 -5.426 -6.626 -6.626 -6.626 -6.626 -5.426 -5.426 -5.426 -9.204 -4.627 -6.626 -5.426 -6.626 -5.426 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.33 0.80 1.00 0.67 1.00 0.67 64 92 91 59 65 96 75 62 90 81 97 89 64 61 64 46 3 88 63 74 61 C H H C C H H C H H H H C C C O W H C H C -10.070 2.00 186 A 5.08 4.86 3.73 3.54 1.95 1.93 1.93 1.89 1.68 1.67 1.65 1.59 1.57 1.39 1.38 1.30 1.22 1.22 1.16 1.13 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:x P:y S P:z S P:x S S S P:x P:z S S S P:y P:y S P:z S -6.626 -6.626 -5.426 -5.426 -6.626 -5.426 -6.626 -5.426 -6.626 -6.626 -6.626 -5.426 -5.426 -6.626 -6.626 -6.626 -5.426 -9.204 -6.626 -5.426 -6.626 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.33 1.00 0.67 1.00 82 83 58 61 84 61 113 60 78 77 80 70 72 112 121 100 58 52 115 71 120 H H C C H C H C H H H C C H H H C O H C H -10.066 2.00 187 A 3.94 3.61 3.02 2.75 2.57 2.51 2.17 2.08 1.73 1.61 1.42 1.41 1.36 1.33 1.31 1.27 1.26 1.12 1.12 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 S S P:z P:z S S P:x P:y S P:y P:z P:z S P:y D:xy P:x S P:x P:x P:y S -6.626 -6.626 -5.426 -5.426 -6.626 -6.626 -5.426 -9.204 -6.626 -5.426 -5.426 -9.204 -6.626 -9.204 -4.627 -9.204 -6.626 -5.426 -9.204 -5.426 -6.626 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.33 1.00 0.67 0.67 1.33 1.00 1.33 0.80 1.33 1.00 0.67 1.33 0.67 1.00 100 113 72 67 103 120 68 50 101 70 68 40 119 34 4 44 116 70 26 67 114 H H C C H H C O H C C O H O W O H C O C H -10.053 2.00 188 A 8.86 8.13 6.63 3.44 3.20 2.87 2.53 1.71 1.37 1.27 1.07 1.01 1 1 1 1 1 1 1 1 1 1 1 1 S P:x S P:y S P:z S P:y S S P:x P:x -6.626 -5.426 -6.626 -5.426 -6.626 -5.426 -6.626 -9.204 -6.626 -6.626 -5.426 -9.204 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.33 1.00 1.00 0.67 1.33 98 67 109 66 99 66 105 50 107 100 69 18 H C H C H C H O H H C O -10.047 2.00 189 A 5.41 4.63 4.61 3.79 3.71 3.66 3.47 3.36 3.14 3.09 2.86 2.30 2.10 2.04 1.95 1.95 1.88 1.79 1.65 1.56 1.19 1.17 1.15 1.13 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 1 1 S P:y P:z S P:x P:x S S S S S S P:y P:x S P:x P:z S S S P:z S P:x P:x S S P:x P:z -6.626 -5.426 -5.426 -6.626 -5.426 -5.426 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 -5.426 -5.426 -6.626 -5.426 -5.426 -6.626 -6.626 -6.626 -5.426 -6.626 -5.426 -5.426 -6.626 -6.626 -5.426 -5.426 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.67 0.67 113 61 72 120 59 70 82 83 81 75 74 85 58 68 101 58 66 115 121 108 71 96 72 73 89 103 64 62 H C C H C C H H H H H H C C H C C H H H C H C C H H C C -10.042 2.00 190 A 9.69 9.32 8.86 7.81 7.50 7.08 6.49 5.78 4.81 4.40 2.50 1.70 1.36 1.09 1 1 1 1 1 1 1 1 1 1 1 2 2 2 S S P:x P:y S P:x S P:y S S P:y P:y P:x P:x -6.626 -6.626 -5.426 -5.426 -6.626 -5.426 -6.626 -5.426 -6.626 -6.626 -5.426 4.695 4.695 4.695 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.00 0.00 0.00 87 86 63 62 93 65 97 63 94 95 65 62 65 63 H H C C H C H C H H C C C C -10.037 2.00 191 A 3.71 3.24 2.91 2.63 2.61 2.49 2.42 2.36 2.34 1.96 1.86 1.73 1.69 1.64 1.35 1.35 1.34 1.29 1.15 1.14 1.13 1.13 1.12 1.10 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 1 1 P:z S P:y S S S P:x S S P:y S S P:x P:y P:z S S S P:y P:y P:y P:x P:z S P:y S -5.426 -6.626 -5.426 -6.626 -6.626 -6.626 -5.426 -6.626 -6.626 -5.426 -6.626 -6.626 -5.426 -5.426 -5.426 -6.626 -6.626 -6.626 -9.204 -9.204 -9.204 -5.426 -5.426 -6.626 -5.426 -6.626 0.67 1.00 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.33 1.33 1.33 0.67 0.67 1.00 0.67 1.00 71 110 70 112 77 101 68 76 121 60 114 119 60 72 59 75 108 79 22 49 53 59 58 87 64 88 C H C H H H C H H C H H C C C H H H O O O C C H C H -10.036 2.00 192 A 4.16 4.12 3.25 2.84 2.79 2.71 2.50 2.36 2.33 2.31 2.19 2.15 1.81 1.81 1.80 1.80 1.80 1.70 1.40 1.31 1.29 1.15 1.12 1.11 1.06 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 S S P:z S P:z P:x P:y P:z S S P:y S S P:x S S S S P:x S P:z P:y P:y P:x S S -6.626 -6.626 -5.426 -6.626 -5.426 -5.426 -5.426 -5.426 -6.626 -6.626 -5.426 -6.626 -6.626 -5.426 -6.626 -6.626 -6.626 -6.626 -5.426 -6.626 -5.426 -5.426 -5.426 -5.426 -6.626 -6.626 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 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 74 116 59 85 73 73 60 58 114 118 72 77 76 68 101 111 79 84 59 119 66 71 58 70 81 108 H H C H C C C C H H C H H C H H H H C H C C C C H H -10.025 2.00 193 A 8.25 7.24 6.27 5.82 3.57 3.24 2.84 2.79 2.59 2.35 1.97 1.76 1.69 1.67 1.52 1.22 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 P:y S P:z S S S S S P:z P:x P:y S S S S P:y P:y -5.426 -6.626 -5.426 -6.626 -6.626 -6.626 -6.626 -6.626 -5.426 -5.426 -5.426 -6.626 -6.626 -6.626 -6.626 -5.426 4.695 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.00 60 79 59 76 77 74 84 111 58 73 71 116 117 85 115 72 60 C H C H H H H H C C C H H H H C C -10.023 2.00 194 A 7.82 7.74 6.70 6.17 5.19 3.27 3.14 3.00 2.30 1.90 1.51 1.48 1.37 1.24 1.13 1.12 1.12 1.12 1.06 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 P:x S P:y S S P:y S S S P:x S P:x P:y S P:x S P:y S P:z P:x -5.426 -6.626 -5.426 -6.626 -6.626 -5.426 -6.626 -6.626 -6.626 -5.426 -6.626 -5.426 -5.426 -6.626 -5.426 -6.626 4.695 -6.626 -5.426 4.695 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 1.00 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.00 1.00 0.67 0.00 73 117 71 111 112 72 115 116 114 71 101 68 60 79 64 76 71 92 65 73 C H C H H C H H H C H C C H C H C H C C -10.014 2.00 195 A 6.41 6.13 5.72 4.31 4.05 3.81 3.78 3.35 3.04 2.06 1.28 1.27 1.26 1.19 1.14 1.08 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y S S S S S P:y S P:z P:x S S P:x P:z S P:x P:x -5.426 -5.426 -6.626 -6.626 -6.626 -6.626 -6.626 -5.426 -6.626 -5.426 -5.426 -6.626 -6.626 -5.426 -5.426 -6.626 -5.426 -9.204 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.33 69 68 105 103 102 104 100 67 99 67 69 89 96 64 62 75 59 26 C C H H H H H C H C C H H C C H C O -10.004 2.00 196 A 9.90 9.84 9.31 7.04 2.78 2.69 2.37 1.79 1.60 1.59 1.52 1.51 1.50 1.35 1.33 1.32 1.31 1.25 1.18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 P:z S S P:y P:x S S P:z S S S S S S P:z P:y S P:y P:y -5.426 -6.626 -6.626 -5.426 -5.426 -6.626 -6.626 -5.426 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 4.695 -5.426 -6.626 -5.426 4.695 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.00 0.00 0.67 1.00 0.67 0.00 69 104 102 68 68 105 101 65 106 92 108 90 99 107 69 67 103 66 68 C H H C C H H C H H H H H H C C H C C -9.997 2.00 197 A 2.70 2.65 2.58 2.56 2.22 2.11 2.03 2.03 1.86 1.82 1.71 1.63 1.60 1.47 1.45 1.37 1.34 1.33 1.25 1.17 1.12 1.12 1.08 1.07 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 1 1 S S P:x P:z S P:y P:z P:x P:z P:x S P:y P:z P:x P:x P:x P:x P:y P:z P:y P:x P:y P:x P:y D:xz D:x2-y2 -6.626 -6.626 -5.426 -5.426 -6.626 -5.426 -9.204 -9.204 -9.204 -9.204 -6.626 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 1.00 1.00 0.67 0.67 1.00 0.67 1.33 1.33 1.33 1.33 1.00 1.33 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 98 118 67 73 119 70 26 48 24 21 109 34 27 19 30 40 23 31 44 20 41 18 20 33 10 13 H H C C H C O O O O H O O O O O O O O O O O O O W W -9.985 2.00 198 A 3.03 2.45 2.40 2.19 2.07 2.02 2.01 1.97 1.91 1.68 1.61 1.49 1.42 1.41 1.27 1.23 1.20 1.17 1.14 1.12 1.05 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 S S P:x P:x P:y P:x P:z P:x P:z P:z P:y S P:y P:y P:y S P:z P:y S -9.204 -5.426 -6.626 -6.626 -9.204 -5.426 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -6.626 -9.204 -9.204 -9.204 -6.626 -9.204 -5.426 -6.626 1.33 0.67 1.00 1.00 1.33 0.67 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.00 1.33 0.67 1.00 29 73 83 118 39 58 19 33 45 25 28 22 36 82 18 21 20 119 43 64 90 O C H H O C O O O O O O O H O O O H O C H -9.975 2.00 199 A 4.37 3.38 3.15 2.73 2.30 1.92 1.91 1.88 1.77 1.68 1.53 1.36 1.35 1.22 1.18 1.15 1.13 1.10 1.08 1.08 1.07 1.06 1.03 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 1 1 S P:x P:x P:z S P:x P:z P:y S S P:z P:z P:x P:y P:y D:z2 S P:z P:z P:y P:x P:y S P:x S P:z -6.626 -5.426 -9.204 -9.204 -6.626 -5.426 -9.204 -9.204 -6.626 -6.626 -5.426 -9.204 -9.204 -9.204 -9.204 -4.627 -6.626 -5.426 -9.204 -5.426 -9.204 -9.204 -6.626 -9.204 -6.626 -5.426 1.00 0.67 1.33 1.33 1.00 0.67 1.33 1.33 1.00 1.00 0.67 1.33 1.33 1.33 1.33 0.80 1.00 0.67 1.33 0.67 1.33 1.33 1.00 1.33 1.00 0.67 78 60 27 41 80 69 35 53 79 106 61 39 29 24 25 2 113 65 42 60 51 22 92 28 118 72 H C O O H C O O H H C O O O O W H C O C O O H O H C -9.964 2.00 200 A 4.63 4.08 3.78 3.12 2.16 2.12 1.81 1.63 1.53 1.44 1.40 1.38 1.35 1.27 1.26 1.24 1.23 1.21 1.18 1.16 1.14 1.08 1.07 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 P:z S S P:y P:z P:y S S P:x P:x P:y S S P:z P:x P:z P:z S P:z P:y P:x S P:x S S -5.426 -6.626 -6.626 -5.426 -5.426 -9.204 -6.626 -6.626 -5.426 -9.204 -9.204 -6.626 -6.626 -9.204 -9.204 -9.204 -5.426 -6.626 -5.426 -5.426 -9.204 -6.626 -9.204 -6.626 -6.626 0.67 1.00 1.00 0.67 0.67 1.33 1.00 1.00 0.67 1.33 1.33 1.00 1.00 1.33 1.33 1.33 0.67 1.00 0.67 0.67 1.33 1.00 1.33 1.00 1.00 63 88 91 64 61 52 80 78 60 49 37 87 90 34 21 23 73 92 65 70 46 118 47 119 93 C H H C C O H H C O O H H O O O C H C C O H O H H -9.943 2.00 201 A 3.71 3.65 3.33 3.31 2.18 2.11 1.96 1.85 1.69 1.62 1.60 1.57 1.55 1.49 1.43 1.39 1.36 1.36 1.28 1.15 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 P:x S S P:x S P:z S S P:y P:z P:x P:y S P:z P:z P:z S P:z P:y P:y P:z P:x -5.426 -6.626 -6.626 -5.426 -6.626 -5.426 -6.626 -6.626 -5.426 -5.426 -9.204 -9.204 -6.626 -5.426 -9.204 -9.204 -6.626 -9.204 -9.204 -9.204 -9.204 -5.426 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.33 1.33 1.00 0.67 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.67 60 78 106 69 107 63 88 80 66 65 26 35 118 73 52 25 92 40 37 47 23 64 C H H C H C H H C C O O H C O O H O O O O C -9.920 2.00 202 A 3.21 2.96 1.86 1.51 1.40 1.31 1.27 1.26 1.26 1.22 1.17 1.17 1.16 1.16 1.15 1.13 1.12 1.10 1.09 1.09 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 P:z S P:y P:x S P:x P:y P:y P:z P:z D:xz P:z P:y P:x S P:x P:x P:x P:y P:z S D:xz -5.426 -6.626 -9.204 -9.204 -6.626 -9.204 -5.426 -9.204 -5.426 -9.204 -4.627 -9.204 -9.204 -9.204 -6.626 -5.426 -9.204 -9.204 -9.204 -9.204 -6.626 -4.627 0.67 1.00 1.33 1.33 1.00 1.33 0.67 1.33 0.67 1.33 0.80 1.33 1.33 1.33 1.00 0.67 1.33 1.33 1.33 1.33 1.00 0.80 63 88 52 52 91 50 70 53 71 43 13 42 50 53 110 59 43 44 51 47 75 12 C H O O H O C O C O W O O O H C O O O O H W -9.891 2.00 203 A 4.90 4.82 2.40 2.27 2.20 2.06 1.90 1.89 1.59 1.57 1.53 1.51 1.43 1.32 1.27 1.23 1.19 1.19 1.17 1.13 1.11 1.06 1.05 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 P:x S P:y P:y S P:y P:y P:z P:y P:y P:z S P:y P:z P:y D:yz P:x P:z S S P:x P:x P:x P:x D:yz -5.426 -6.626 -9.204 -9.204 -6.626 -9.204 -9.204 -9.204 -9.204 -9.204 -5.426 -6.626 -9.204 -5.426 -5.426 -4.627 -9.204 -9.204 -6.626 -6.626 -5.426 -9.204 -7.230 -5.426 -4.627 0.67 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 0.67 1.00 1.33 0.67 0.67 0.80 1.33 1.33 1.00 1.00 0.67 1.33 1.00 0.67 0.80 69 106 44 46 107 42 43 44 48 49 73 118 35 71 66 8 48 48 78 110 60 49 56 66 6 C H O O H O O O O O C H O C C W O O H H C O N C W -9.642 2.00 204 A 4.14 4.00 3.66 3.37 3.37 3.08 2.96 2.81 2.57 2.52 2.50 2.00 1.95 1.87 1.83 1.79 1.73 1.41 1.40 1.39 1.34 1.24 1.22 1.20 1.16 1.09 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:z P:z P:z P:y P:y P:z P:x P:x P:x P:y P:x P:y D:xy D:xy P:y D:xy D:xy P:y D:xy D:xz D:xy D:yz P:x P:y P:x P:y D:yz -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -4.627 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 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 46 52 47 50 51 53 49 48 46 53 47 52 6 13 48 12 7 28 11 8 10 11 51 29 23 38 10 O O O O O O O O O O O O W W O W W O W W W W O O O O W -9.637 2.00 205 A 5.68 5.68 3.82 3.30 3.17 3.07 2.93 2.42 2.18 2.16 2.12 2.03 1.92 1.80 1.68 1.66 1.59 1.55 1.43 1.39 1.33 1.21 1.17 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 P:y P:y P:z P:z P:z P:x P:x D:yz D:xz P:y P:z P:y P:z P:x P:x D:xz P:z P:x D:x2-y2 D:xz P:x P:x D:yz P:z D:x2-y2 P:z P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -9.204 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 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 49 43 45 44 43 45 51 5 3 42 42 46 18 47 42 9 32 18 3 2 52 48 3 38 5 36 38 O O O O O O O W W O O O O O O W O O W W O O W O W O O -9.631 2.00 206 A 7.47 7.34 5.79 5.41 2.90 2.84 2.74 2.67 2.48 1.81 1.80 1.76 1.53 1.47 1.45 1.44 1.12 1.08 1.06 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:y P:y P:y P:y P:y P:y P:y D:z2 P:y D:z2 P:z D:x2-y2 P:z D:x2-y2 D:x2-y2 D:z2 P:z D:x2-y2 P:z P:z D:xz -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -4.627 -9.204 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -9.204 -4.627 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 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 45 44 48 47 43 46 42 7 49 9 43 4 42 3 2 8 20 5 53 49 4 O O O O O O O W O W O W O W W W O W O O W -9.616 2.00 207 A 8.08 5.63 5.55 4.37 3.78 3.31 3.04 2.96 2.78 2.64 2.30 2.07 2.05 1.69 1.56 1.02 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:z D:z2 D:x2-y2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 43 50 51 52 45 44 53 42 46 12 2 10 3 4 5 42 O O O O O O O O O W W W W W W O -9.613 2.00 208 A 8.04 7.73 5.98 4.56 3.43 3.21 2.09 1.83 1.77 1.72 1.59 1.39 1.38 1.28 1.24 1.14 1.06 1.01 1.01 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:z P:z P:z D:z2 D:z2 P:y P:z D:xy P:x P:y D:z2 P:x D:z2 P:x D:z2 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -4.627 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 1.33 0.80 1.33 0.80 1.33 0.80 49 50 48 52 53 51 47 11 8 52 46 9 47 45 13 31 6 25 9 O O O O O O O W W O O W O O W O W O W -9.589 2.00 209 A 5.15 4.65 3.43 3.20 3.08 2.86 2.85 2.51 2.23 2.05 1.80 1.78 1.69 1.58 1.53 1.37 1.36 1.30 1.27 1.25 1.20 1.20 1.19 1.15 1.13 1 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:x P:y P:x P:y P:z P:x P:z P:x P:x P:z P:z D:xz P:x P:y P:x P:z D:xz P:x P:y P:x P:z P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 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 46 53 42 53 43 51 49 51 42 44 43 52 46 42 2 40 47 48 45 6 50 34 46 49 38 O O O O O O O O O O O O O O W O O O O W O O O O O -9.588 2.00 210 A 4.84 4.67 4.36 4.34 4.15 2.99 2.60 1.99 1.79 1.58 1.56 1.53 1.45 1.41 1.31 1.26 1.17 1.10 1.05 1.03 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 P:y P:x P:z P:y P:z P:x P:y P:z P:x P:y P:z P:x P:y P:y P:z P:z P:y P:x P:y D:xz P:z P:x P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 47 52 52 45 47 45 44 53 49 32 41 50 48 36 50 34 43 46 18 4 27 39 43 O O O O O O O O O O O O O O O O O O O W O O O -9.573 2.00 211 A 10.68 7.39 3.70 3.69 2.59 1.88 1.75 1.69 1.66 1.43 1.38 1.37 1.33 1.12 1.11 1.10 1.08 1.07 1.06 1.00 1.00 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:z P:x P:z P:y P:y P:z P:z P:y P:y P:y P:y P:y D:xy D:xy D:yz P:y D:xy -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -4.627 -9.204 -4.627 1.33 1.33 1.33 1.33 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 0.80 44 48 48 42 50 53 46 50 51 47 49 44 52 46 53 33 11 10 13 35 4 O O O O O O O O O O O O O O O O W W W O W -9.518 2.00 212 A 4.76 4.49 3.79 3.57 3.56 3.38 3.14 2.81 2.73 2.73 2.57 2.51 2.28 2.27 2.25 1.95 1.94 1.60 1.44 1.34 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 P:x P:x P:x P:y P:z P:z P:y P:y P:z P:z P:x P:z P:y P:y P:y P:z P:y P:x P:y P:x P:x P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 53 50 43 46 51 45 49 50 49 45 47 44 46 42 52 48 51 47 43 52 53 O O O O O O O O O O O O O O O O O O O O O O -9.335 2.00 213 A 2.85 2.79 2.25 2.18 2.14 2.12 2.06 1.93 1.89 1.88 1.78 1.76 1.74 1.73 1.72 1.63 1.62 1.62 1.61 1.55 1.53 1.53 1.50 1.49 1.46 1.41 1.41 1.33 1.22 1.19 1.13 1.13 1.12 1.12 1.12 1.11 1.10 1.08 1.08 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 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:y P:y P:y D:x2-y2 P:y P:y P:x P:x D:x2-y2 P:z D:x2-y2 P:x P:y P:z P:y P:x D:x2-y2 P:z P:z P:z P:z P:y P:z P:z P:x D:x2-y2 P:y P:y D:xz D:x2-y2 P:x D:xz D:xz P:x D:xz P:y P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -4.627 -9.204 -9.204 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 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 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 27 26 39 38 29 28 35 10 40 34 29 28 11 28 12 41 36 38 41 40 13 27 39 29 26 37 41 40 23 7 30 39 10 6 22 12 11 26 13 31 27 O O O O O O O W O O O O W O W O O O O O W O O O O O O O O W O O W W O W W O W O O -9.298 2.00 214 A 2.32 2.24 2.20 2.10 2.09 2.04 2.02 1.99 1.99 1.93 1.92 1.91 1.83 1.83 1.82 1.70 1.68 1.63 1.62 1.60 1.53 1.48 1.40 1.25 1.25 1.20 1.19 1.18 1.16 1.12 1.08 1.05 1.04 1.00 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 P:x P:x P:z D:z2 P:z P:x D:z2 D:z2 P:z P:x P:z D:z2 P:z P:z P:z P:y P:y P:x P:z P:x P:x P:x P:y P:y P:z P:y P:x P:x P:x P:y P:x P:z P:z P:y P:y -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 0.80 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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 30 32 18 4 19 31 3 2 21 20 35 5 20 37 36 19 21 33 34 23 18 22 31 33 32 20 24 19 21 18 25 31 33 25 24 O O O W O O W W O O O W O O O O O O O O O O O O O O O O O O O O O O O -9.235 2.00 215 A 5.18 4.84 4.32 4.26 4.13 4.08 3.94 3.60 3.19 2.69 2.51 2.30 2.28 2.24 2.18 2.16 2.11 2.09 2.03 1.98 1.76 1.71 1.63 1.55 1.51 1.45 1.44 1.40 1.29 1 1 1 1 1 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:y P:x P:y P:x P:z P:y P:z P:z D:z2 P:z P:y D:z2 P:y P:z D:x2-y2 P:y D:x2-y2 P:x D:z2 P:z D:z2 P:y D:x2-y2 P:x P:z D:x2-y2 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -4.627 -9.204 -4.627 -9.204 -4.627 -9.204 -9.204 -4.627 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 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 52 50 43 49 50 47 45 52 44 49 46 10 53 48 12 42 47 5 45 3 42 9 48 7 43 2 51 51 4 O O O O O O O O O O O W O O W O O W O W O W O W O W O O W -9.223 2.00 216 A 9.43 8.84 5.90 5.16 4.02 3.99 3.85 3.05 3.00 2.76 2.05 2.01 1.91 1.83 1.81 1.80 1.52 1.44 1.32 1.30 1.28 1.17 1.13 1.13 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 P:y P:y P:x P:x P:y P:z P:z P:y P:y P:y P:z P:x D:yz P:x D:xy D:xy P:x D:xz D:xy P:y D:x2-y2 D:yz P:z P:y D:yz D:xz -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 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 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 51 53 47 49 43 45 43 49 42 44 47 51 11 45 13 11 52 9 7 48 4 13 53 46 5 3 O O O O O O O O O O O O W O W W O W W O W W O O W W -9.221 2.00 217 A 9.39 8.19 5.55 5.46 3.79 3.03 2.99 2.99 2.60 2.15 2.09 1.90 1.87 1.74 1.73 1.68 1.63 1.61 1.54 1.48 1.46 1.41 1.39 1.34 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:y P:y P:z P:z P:y P:x P:y P:x P:z P:y P:y D:yz P:z P:x P:z D:xy D:yz P:x P:z P:y D:z2 P:z D:xz D:xy D:z2 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -9.204 -4.627 -4.627 -4.627 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 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 50 52 42 44 48 49 46 47 46 47 45 10 49 43 48 10 12 52 43 44 6 45 4 12 8 O O O O O O O O O O O W O O O W W O O O W O W W W -9.215 2.00 218 A 8.13 7.98 5.00 3.93 3.41 3.40 3.31 3.22 2.88 2.77 2.43 2.18 1.81 1.79 1.79 1.72 1.62 1.61 1.58 1.57 1.43 1.40 1.40 1.31 1.26 1.24 1 1 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:z P:z P:y P:x P:z P:z P:x P:y P:y D:z2 P:y P:z D:z2 D:xz D:xy P:x D:xz P:z D:xy P:y P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -4.627 -9.204 -9.204 1.33 1.33 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 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 48 46 53 43 51 45 44 42 51 42 53 50 50 52 13 45 52 11 8 8 44 6 48 6 49 44 O O O O O O O O O O O O O O W O O W W W O W O W O O -9.188 2.00 219 A 7.36 7.25 6.66 6.22 5.62 4.89 4.78 4.70 2.75 2.73 2.48 2.47 1.92 1.87 1.81 1.77 1.60 1.17 1.11 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 P:z P:z P:z P:y P:z P:y P:y P:y P:y P:y P:z P:z P:z P:y P:y P:z P:y P:x P:z P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.859 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 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 1.33 1.33 47 46 49 46 48 48 49 47 14 15 16 14 17 43 16 15 17 1 52 42 O O O O O O O O O O O O O O O O O Si O O -9.184 2.00 220 A 10.47 6.95 6.94 6.25 3.64 3.64 3.38 3.05 2.76 2.53 2.41 2.37 1.87 1.59 1.54 1.51 1.50 1.46 1.23 1.14 1.11 1.11 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 P:x P:x P:x P:y P:x P:y P:x P:x P:y P:y P:y P:x P:y P:y P:y P:x P:y P:x P:x D:xy P:z P:z P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 1.859 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 0.00 42 44 45 45 14 43 43 17 17 44 16 51 42 15 47 52 48 46 48 2 48 52 1 O O O O O O O O O O O O O O O O O O O W O O Si -9.180 2.00 221 A 6.58 6.46 6.31 5.86 5.76 5.14 3.68 3.54 3.42 3.42 3.28 2.55 2.12 1.94 1.90 1.83 1.72 1.13 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 P:z P:z P:x P:z P:z P:x P:x P:x P:x P:x P:x P:x P:z P:z P:z P:y P:z P:z P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.859 1.33 1.33 1.33 1.33 1.33 1.33 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 53 52 53 51 50 50 51 16 52 15 44 43 14 15 17 43 16 49 1 O O O O O O O O O O O O O O O O O O Si -9.162 2.00 222 A 6.36 5.45 5.41 5.02 4.54 4.49 4.19 3.41 3.36 3.33 3.30 3.28 3.22 2.71 2.63 2.57 1.74 1.53 1.35 1.12 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 1 P:y P:x P:x P:y P:z P:y P:z P:y P:x P:x P:x P:y P:z P:z P:y P:z P:x P:z P:y P:y P:y P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 35 40 33 33 40 34 35 25 19 41 26 30 26 25 19 39 32 36 24 31 37 27 O O O O O O O O O O O O O O O O O O O O O O -9.158 2.00 223 A 6.01 5.73 5.69 5.08 4.34 3.91 3.76 3.69 3.51 3.28 3.01 2.96 2.95 2.83 2.81 2.42 2.29 1.92 1.71 1.57 1.39 1.37 1.16 1.10 1.08 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 P:x P:x P:z P:x P:z P:z P:y P:y P:x P:z P:y P:z P:x P:y P:x P:x P:x P:y P:z P:z P:z P:z P:x P:x P:z P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 30 31 37 39 34 39 30 37 38 23 23 29 29 20 20 41 21 36 24 41 40 50 32 27 27 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 -9.152 2.00 224 A 6.93 6.54 5.13 4.66 4.48 4.46 3.84 3.62 3.33 2.95 2.90 2.76 2.73 2.64 2.31 2.14 1.97 1.87 1.87 1.82 1.54 1.39 1.33 1.20 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:y P:z P:z P:z P:y P:y P:y P:z P:x P:x P:y P:z P:x P:z P:x P:z P:z P:y P:y P:y P:x P:x P:x P:x P:z P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 38 41 36 31 36 18 28 38 28 22 35 32 22 18 34 27 21 37 34 33 39 21 53 24 49 O O O O O O O O O O O O O O O O O O O O O O O O O O -9.067 2.00 225 A 2.91 2.72 2.71 2.68 2.58 2.47 2.45 2.41 2.37 2.36 2.36 2.33 2.32 2.26 2.26 2.21 2.20 2.16 2.14 2.08 2.08 2.04 2.02 2.02 2.00 1.98 1.95 1.95 1.92 1.92 1.90 1.88 1.81 1.80 1.79 1.78 1.78 1.75 1.73 1.67 1.65 1.64 1.61 1.56 1.52 1.48 1.45 1.37 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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:y P:z P:x P:y P:y P:z P:x P:z P:z P:x P:y P:x P:x P:z P:y P:x P:y P:z P:y P:z P:z P:x P:y P:x P:z P:y P:z P:y P:x P:z P:x P:x P:z P:z P:y P:x P:x P:y P:z P:x P:x P:y P:z P:z P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 30 31 34 32 39 38 37 36 41 41 37 36 33 20 39 21 38 18 40 35 34 24 29 35 32 23 28 27 22 40 31 30 22 19 29 28 23 25 27 26 33 24 18 20 21 26 25 19 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.901 2.00 226 A 3.62 3.55 3.50 3.46 3.45 3.42 3.41 3.40 3.36 3.25 3.23 3.21 1.56 1.52 1.49 1.42 1.40 1.40 1.35 1.32 1.21 1.14 1.13 1.12 1.12 1.10 1.07 1.01 1.01 1.00 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 P:x P:z P:z P:x P:y P:z P:z P:y P:x P:y P:y P:x P:y P:x P:z P:x P:y P:z P:z P:z P:x P:x P:x P:y P:y P:x P:z P:y P:x P:z P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 35 32 30 34 38 31 33 39 36 40 41 37 28 25 20 24 29 21 19 18 22 27 18 22 23 26 26 21 23 28 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 O O O O O -8.730 2.00 227 A 5.24 5.17 5.14 5.12 4.94 4.80 4.68 4.61 4.55 4.44 4.44 4.39 4.37 4.33 4.29 4.28 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 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 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 15 51 50 52 43 14 17 49 16 42 46 44 48 45 47 O O O O O O O O O O O O O O O O -8.725 2.00 228 A 4.19 4.02 3.86 3.85 3.74 3.71 3.67 3.56 3.43 3.39 3.34 3.32 2.84 2.84 2.78 2.45 1.94 1.62 1.59 1.47 1.41 1.39 1.36 1.36 1.25 1.22 1.09 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 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:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 17 42 46 48 47 51 14 45 49 52 53 16 43 44 50 15 16 46 44 42 47 45 51 53 17 43 49 14 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 -8.723 2.00 229 A 4.29 4.06 3.88 3.76 3.60 3.56 3.55 3.44 3.40 3.37 3.31 3.12 2.98 2.95 2.75 2.68 1.54 1.41 1.39 1.37 1.37 1.32 1.31 1.19 1.18 1.09 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 P:z P:z P:z P:z P:z 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:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 14 42 52 44 45 43 47 16 46 53 48 15 50 49 51 17 14 44 46 52 49 15 48 50 47 51 43 45 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.692 2.00 230 A 3.65 3.08 3.00 2.79 2.78 2.75 2.69 2.67 2.47 2.38 2.29 2.22 2.19 2.17 2.16 2.09 2.06 2.01 1.88 1.83 1.81 1.70 1.68 1.62 1.61 1.58 1.55 1.51 1.25 1.23 1.20 1.11 1.10 1.08 1.08 1.06 1.04 1.03 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 1 1 1 1 1 1 1 P:y D:x2-y2 P:z P:z P:z P:y D:x2-y2 P:y P:x P:z P:z P:z P:x D:x2-y2 P:x P:z P:z P:y P:x P:x D:x2-y2 P:z D:xz P:z P:z D:xz P:x P:y D:x2-y2 P:y P:z D:z2 D:x2-y2 P:x D:z2 P:y P:x P:x D:yz P:x -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -4.627 -9.204 -9.204 -9.204 -4.627 -9.204 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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 27 11 27 25 29 29 13 35 41 23 22 39 39 7 23 37 24 33 31 29 9 26 13 41 28 11 25 36 6 32 34 13 8 27 11 41 30 22 9 24 O W O O O O W O O O O O O W O O O O O O W O W O O W O O W O O W W O W O O O W O -8.686 2.00 231 A 3.78 3.39 3.19 2.95 2.65 2.54 2.53 2.51 2.50 2.42 2.26 2.21 2.20 2.18 2.15 2.10 2.05 1.85 1.82 1.78 1.75 1.66 1.65 1.63 1.62 1.61 1.54 1.53 1.50 1.47 1.44 1.43 1.31 1.31 1.22 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 1 P:y P:x D:x2-y2 D:x2-y2 D:z2 P:y P:x P:y D:z2 P:z P:y P:x P:x P:x P:z P:x P:x P:z P:x P:x P:x P:z D:xz D:xz D:z2 P:z P:z P:z P:x P:x D:z2 P:y P:z P:y P:y P:z -9.204 -9.204 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 0.80 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 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 1.33 1.33 1.33 1.33 26 28 10 12 5 28 26 31 3 38 34 21 19 40 40 20 18 36 38 29 33 21 12 10 2 19 28 26 27 32 4 30 18 37 40 35 O O W W W O O O W O O O O O O O O O O O O O W W W O O O O O W O O O O O -8.683 2.00 232 A 3.26 3.07 3.05 2.90 2.88 2.85 2.68 2.49 2.47 2.30 2.27 2.25 2.19 2.09 2.01 1.90 1.81 1.78 1.72 1.72 1.68 1.54 1.53 1.52 1.44 1.41 1.41 1.24 1.24 1.23 1.21 1.18 1.17 1.17 1.12 1.11 1.11 1.09 1.09 1.09 1.09 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 1 1 1 1 1 1 1 P:y D:z2 D:z2 P:y P:y P:y P:y P:z P:y P:y P:x P:y P:x P:z D:x2-y2 D:x2-y2 P:z D:z2 P:x P:x P:x D:z2 P:z D:x2-y2 P:y P:y D:x2-y2 P:z P:x P:z D:xy D:xy P:z P:y P:y D:yz P:y P:x P:z P:y P:z P:x D:yz -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 -4.627 -9.204 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 1.33 0.80 0.80 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 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 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 1.33 0.80 24 4 2 20 25 19 18 18 21 22 22 23 30 20 6 8 34 3 32 23 24 5 35 7 32 36 9 41 39 36 4 2 19 30 37 8 31 20 21 34 40 33 6 O W W O O O O O O O O O O O W W O W O O O W O W O O W O O O W W O O O W O O O O O O W -8.658 2.00 233 A 6.99 6.96 5.81 5.64 3.18 3.14 3.01 2.98 2.95 2.93 2.88 2.79 2.78 2.77 2.73 2.45 2.34 2.33 2.32 2.21 1.82 1.81 1.78 1.76 1.65 1.40 1.26 1.25 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 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:x P:x P:z P:x P:x P:z P:z D:x2-y2 P:x P:z P:z P:x P:z P:z P:z P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 9.886 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 14 16 17 15 47 46 49 48 44 42 45 43 53 15 50 50 17 51 51 52 1 52 53 15 16 17 14 16 14 O O O O O O O O O O O O O O O O O O O O Si O O O O O O O O -8.650 2.00 234 A 6.02 5.47 5.14 4.98 4.79 4.72 4.59 4.28 4.19 4.10 4.08 3.86 3.66 3.37 3.22 2.92 1.92 1.83 1.61 1.33 1.30 1.22 1.16 1.14 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:z P:x P:x P:z P:z P:x P:x P:z P:x P:x P:z P:z P:x D:z2 P:z P:z P:x P:z P:x P:z P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 9.886 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 17 15 15 16 14 16 14 48 44 17 49 42 43 46 47 45 1 51 50 50 53 53 52 52 O O O O O O O O O O O O O O O O Si O O O O O O O -8.644 2.00 235 A 2.32 2.26 2.19 2.07 2.06 2.06 2.02 1.96 1.96 1.91 1.89 1.89 1.87 1.86 1.84 1.82 1.76 1.76 1.73 1.72 1.71 1.67 1.60 1.56 1.51 1.49 1.48 1.48 1.44 1.41 1.41 1.40 1.40 1.37 1.33 1.24 1.20 1.17 1.17 1.15 1.15 1.10 1.07 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 1 1 1 1 P:y P:y P:x P:z P:y P:y P:z P:z P:x P:x P:y P:z P:x P:y P:y P:x P:z P:y P:x P:x P:z P:z P:z P:x P:z P:z P:y P:z P:y P:x P:z P:y P:y P:x P:x P:x P:z P:x P:z P:x P:x P:x P:z P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 27 26 23 21 28 29 18 19 22 30 31 20 24 33 35 32 34 34 39 25 36 35 38 38 37 40 37 39 30 41 41 32 36 31 33 40 45 49 43 47 48 46 42 44 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.229 2.00 236 A 10.68 10.45 8.43 6.32 6.31 5.60 3.90 2.68 2.60 2.36 2.34 1.74 1.38 1.37 1.31 1.23 1.14 1.08 1.07 1 1 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 P:x P:y P:y P:z P:x P:z P:x P:x P:z P:z P:x P:y P:x P:x P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 35 40 33 19 25 38 26 18 22 32 36 40 40 31 37 19 26 19 24 O O O O O O O O O O O O O O O O O O O -8.220 2.00 237 A 12.45 8.92 7.40 6.92 4.60 4.32 4.23 3.87 2.33 2.23 1.93 1.88 1.80 1.68 1.53 1.40 1.37 1.34 1 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 P:y P:x P:y P:x P:z P:z P:x P:z P:x P:x P:y P:y P:x P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 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 41 31 21 27 24 39 36 20 30 37 18 23 27 28 21 41 34 O O O O O O O O O O O O O O O O O O -8.214 2.00 238 A 9.61 7.85 6.40 6.31 5.55 5.16 4.97 4.75 3.78 3.46 2.88 1.75 1.61 1.35 1.28 1.20 1.18 1.04 1.01 1.00 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:x P:y P:y P:x P:y P:x P:x P:z P:z P:x P:y P:y P:x P:y P:z P:y P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 30 32 39 37 29 38 36 28 23 22 20 18 35 37 26 32 23 29 22 36 O O O O O O O O O O O O O O O O O O O O -8.198 2.00 239 A 4.78 4.71 4.57 4.55 4.55 4.54 4.46 4.38 3.68 3.28 3.20 2.83 2.76 2.70 2.61 2.40 2.30 2.15 2.07 1.84 1.63 1.29 1.23 1.21 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 P:y P:x P:y P:x P:y P:x P:y P:x P:x P:x P:y P:y P:y P:y P:x P:y P:y P:x P:y P:y P:x P:x P:x P:x P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 52 48 51 46 53 47 50 17 15 14 39 41 16 14 15 38 16 40 17 35 24 36 34 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 -8.197 2.00 240 A 5.12 5.04 4.58 4.45 4.44 4.28 4.25 4.13 3.44 3.21 2.90 2.85 2.76 2.76 2.66 2.59 2.12 2.02 1.83 1.71 1.57 1.55 1.23 1.20 1.18 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 P:z P:z P:y P:y P:y P:z P:z P:y P:z P:z P:y P:y P:y P:z P:z P:y P:z P:z P:z P:y P:y P:z P:z P:y P:z P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 52 45 44 43 50 51 42 16 14 17 16 15 32 30 14 15 33 17 39 41 31 47 40 46 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 -8.193 2.00 241 A 5.10 4.96 4.80 4.66 4.27 4.15 4.04 4.01 3.47 3.07 3.04 2.94 2.89 2.69 2.49 2.41 2.40 2.38 2.12 2.08 1.63 1.22 1.19 1.08 1.07 1.06 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:z P:z P:x P:x P:x P:x P:z P:z P:z P:x P:z P:z P:z P:x P:z P:x P:x P:x P:x P:z P:x P:x P:x P:z P:z P:z P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 48 49 44 43 45 42 46 47 31 15 17 15 33 37 16 16 14 17 35 14 36 25 24 50 32 51 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 -7.950 2.00 242 A 4.21 3.75 3.75 3.18 2.77 2.68 2.39 2.28 2.27 2.27 2.15 2.08 2.08 2.08 2.03 2.02 2.00 1.64 1.62 1.60 1.58 1.56 1.49 1.43 1.41 1.41 1.38 1.33 1.26 1.26 1.21 1.08 1.06 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 1 1 P:y P:z P:z P:y P:x P:z P:x P:y P:x P:z P:z P:z P:z P:z P:y P:y P:z P:z P:z P:x P:x P:y P:z P:x P:y P:z P:z P:x P:y P:z P:x P:y P:y P:z P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 19 26 25 25 19 15 26 38 37 31 19 40 16 35 52 33 14 22 29 49 18 26 17 33 20 39 36 47 35 18 32 50 30 28 15 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.949 2.00 243 A 3.63 3.63 3.53 3.34 3.34 2.83 2.46 2.29 2.24 2.20 2.16 2.13 2.04 1.98 1.89 1.79 1.76 1.72 1.70 1.68 1.59 1.59 1.59 1.57 1.44 1.44 1.37 1.36 1.33 1.29 1.29 1.23 1.21 1.19 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 P:y P:y P:z 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:z P:x P:x P:z P:y P:y P:z P:y P:x P:y P:x P:z P:x P:x P:z P:y P:z P:y P:z P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 24 24 27 21 27 33 20 36 16 53 17 34 39 31 24 23 41 30 21 27 51 43 34 15 31 29 37 14 23 17 41 41 25 45 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 O O O O -7.946 2.00 244 A 3.62 3.03 2.99 2.68 2.62 2.57 2.47 2.43 2.22 2.18 2.03 1.98 1.92 1.92 1.88 1.85 1.78 1.74 1.71 1.68 1.53 1.49 1.48 1.44 1.44 1.41 1.39 1.38 1.35 1.26 1.25 1.23 1.18 1.17 1.15 1.08 1.08 1.06 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 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:z P:x P:y P:x P:y P:z P:z P:y P:y P:z P:y P:x P:y P:x P:y P:y P:x P:z P:y P:y P:x P:y P:x P:y P:x P:x P:z P:y P:x P:z P:x P:z P:x P:z P:x P:z P:y P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 22 28 18 18 29 14 22 44 23 16 30 36 34 40 22 17 37 38 42 28 32 48 20 23 15 39 20 38 29 14 29 35 18 16 32 32 23 27 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 O O O -7.860 2.00 245 A 7.02 6.80 6.78 6.70 4.43 4.26 3.97 3.90 3.86 3.77 3.72 3.68 2.52 2.38 2.30 2.23 2.02 2.01 1.84 1.81 1.14 1.11 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:x P:x P:x P:x P:x P:x P:z P:z P:x P:z P:z P:x P:z P:z P:z P:z P:x P:x P:x P:x P:z P:z P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 37 34 36 35 47 46 32 30 48 31 33 49 42 44 43 45 24 25 23 22 20 19 21 O O O O O O O O O O O O O O O O O O O O O O O -7.858 2.00 246 A 7.11 6.90 6.82 6.78 4.38 4.22 4.21 4.09 3.80 3.59 3.50 3.43 2.47 2.38 2.13 2.09 2.05 2.02 1.91 1.90 1.09 1.05 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:z P:z P:z P:z P:z P:z P:y P:y P:z P:z P:y P:y P:z P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 40 41 39 53 51 50 52 33 31 30 32 42 45 27 28 44 43 29 26 21 18 O O O O O O O O O O O O O O O O O O O O O O -7.742 2.00 247 A 6.39 4.82 4.37 4.21 4.06 3.82 3.52 3.27 3.09 2.83 2.62 2.57 2.46 2.40 2.39 2.31 2.15 2.00 2.00 1.88 1.72 1.69 1.64 1.59 1.54 1.29 1.16 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 1 1 1 1 1 P:y P:x P:y P:x P:x P:z P:z P:z P:y P:y P:z P:x P:x P:z P:z P:z P:x P:z P:y P:z P:y P:z P:y P:x P:x P:x P:z P:z P:y P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 30 53 49 25 18 42 37 27 30 34 31 39 39 33 31 47 19 37 30 31 32 33 37 22 46 40 44 29 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 O O O O O O -7.741 2.00 248 A 5.98 4.62 4.48 4.28 4.25 3.86 3.80 3.53 3.33 3.04 3.02 2.79 2.51 2.11 2.09 2.09 1.92 1.90 1.86 1.78 1.74 1.68 1.62 1.45 1.45 1.27 1.27 1.25 1.22 1.19 1.19 1.17 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:z P:y P:z P:x P:y P:x P:z P:y P:z P:x P:y P:y P:z P:x P:x P:y P:y P:x P:x P:x P:y P:x P:x P:y P:z P:y P:z P:y P:x P:z P:y P:x P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 52 43 47 35 23 21 28 35 40 34 33 40 41 33 50 40 37 36 34 41 22 35 29 36 53 19 39 49 34 38 32 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 -7.734 2.00 249 A 5.74 5.00 4.31 4.03 4.00 3.81 3.80 3.72 3.48 3.05 2.97 2.94 2.74 2.64 2.47 2.39 2.28 2.12 1.98 1.73 1.58 1.39 1.39 1.29 1.28 1.23 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:x P:z P:y P:x P:z P:y P:x P:z P:x P:x P:y P:z P:z P:y P:z P:y P:y P:x P:y P:y P:y P:y P:y P:y P:z P:z P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 48 44 26 46 38 50 38 20 24 32 32 42 36 36 41 41 31 39 40 39 38 29 52 37 32 19 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 -7.595 2.00 250 A 5.52 5.04 4.83 4.13 4.05 3.98 3.12 3.02 2.49 2.23 2.19 2.06 1.99 1.85 1.85 1.77 1.72 1.68 1.68 1.59 1.56 1.55 1.52 1.44 1.40 1.38 1.37 1.35 1.26 1.18 1.12 1.12 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 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:y P:z P:y P:y P:y P:x P:z P:y P:y P:y P:y P:y P:x P:z P:y P:x P:y P:y P:x P:y P:x P:y P:y P:x P:x P:x P:y P:y P:y P:x P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 50 25 53 19 52 42 38 49 21 15 17 19 21 16 46 31 39 48 26 23 37 46 24 14 44 42 53 19 25 41 27 36 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 O -7.592 2.00 251 A 7.21 6.53 5.82 5.44 3.03 2.43 2.17 2.05 1.98 1.90 1.83 1.82 1.80 1.78 1.72 1.68 1.64 1.64 1.63 1.57 1.50 1.48 1.39 1.30 1.27 1.25 1.19 1.18 1.16 1.13 1.08 1.08 1.07 1.02 1.00 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 P:z P:z P:z P:z P:y P:y P:z P:z P:z P:x P:z P:z P:z P:y P:z P:x P:x P:z P:x P:z P:z P:z P:x P:z P:z P:z P:z P:z P:z P:z P:z P:y P:x P:z P:y P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 45 43 44 27 29 49 17 16 24 15 33 14 28 27 36 22 21 27 32 52 29 52 47 30 50 51 24 46 53 22 49 23 26 51 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 O O O -7.589 2.00 252 A 6.05 5.48 4.68 3.82 3.05 2.90 2.89 2.59 2.58 2.43 2.20 2.17 2.05 2.04 2.00 1.93 1.92 1.82 1.80 1.68 1.59 1.59 1.48 1.44 1.33 1.26 1.25 1.18 1.13 1.11 1.10 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 P:x P:x P:x P:x P:z P:y P:z P:y P:y P:x P:y P:x 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:z P:y P:y P:x P:z P:x P:y P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 49 48 18 28 20 53 29 43 52 16 18 22 35 45 34 14 40 20 17 15 43 23 30 50 41 51 32 27 45 18 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.564 2.00 253 A 4.94 4.71 4.61 3.66 3.53 3.23 2.63 2.62 2.60 2.48 2.46 2.44 2.42 2.18 2.12 2.09 2.03 2.01 1.93 1.93 1.77 1.73 1.52 1.50 1.39 1.39 1.36 1.35 1.34 1.24 1.16 1.07 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 1 1 1 P:x P:x P:x P:x P:x P:x P:z P:z P:z P:y P:z P:x P:z P:x P:x P:z P:x P:z P:y P:x P:y P:z P:y P:z P:x P:y P:y P:z P:y P:y P:y P:z P:x P:y P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 25 23 52 51 52 45 51 42 21 45 53 37 53 19 42 43 23 35 19 23 27 50 50 44 45 25 39 25 53 18 27 21 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 O O O O O O O -7.560 2.00 254 A 5.51 4.77 4.24 3.09 3.01 2.96 2.80 2.79 2.71 2.60 2.58 2.58 2.26 2.20 2.16 2.08 2.06 2.03 1.88 1.87 1.69 1.64 1.60 1.59 1.52 1.48 1.43 1.41 1.39 1.12 1.11 1.08 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 1 P:x P:x P:x P:x P:y P:y P:x P:x P:x P:y P:z P:y P:x P:y P:z P:z P:x P:z P:y P:z P:y P:y P:y P:z P:x P:x P:z P:z P:y P:z P:z P:x P:x P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 48 24 22 46 22 44 43 50 34 42 24 53 44 43 22 50 45 53 51 44 45 39 24 18 53 36 51 20 27 42 52 42 14 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 O -7.557 2.00 255 A 4.16 4.12 4.11 4.08 4.01 3.95 3.68 3.49 3.40 3.36 2.66 2.63 2.57 2.49 2.45 2.12 2.02 1.90 1.71 1.71 1.71 1.66 1.64 1.52 1.46 1.44 1.41 1.37 1.35 1.32 1.30 1.25 1.17 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 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:y P:y P:y P:z P:z P:y P:z P:y P:y P:y P:z P:z P:z P:z P:z P:x P:z P:z P:z P:x P:y P:y P:z P:y P:y P:z P:z P:x P:z P:y P:x P:z P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 47 47 48 50 28 48 49 49 46 46 26 52 44 20 45 42 18 26 19 21 43 18 40 29 26 51 38 31 30 20 28 53 28 32 19 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.524 2.00 256 A 4.52 4.17 3.58 3.57 3.51 3.41 3.38 3.22 3.20 2.68 2.62 2.53 2.39 2.33 2.27 2.25 2.14 2.14 2.09 1.92 1.77 1.65 1.64 1.62 1.47 1.46 1.45 1.44 1.25 1.14 1.12 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 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y P:y P:y P:x P:y P:y P:y P:x P:y P:x P:y P:x P:y P:z P:x P:y P:x P:x P:x P:z P:y P:z P:y P:y P:x P:x P:z P:x P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 40 29 27 14 44 16 35 41 28 15 25 38 24 42 44 17 46 42 23 34 16 23 33 39 53 21 48 14 51 48 17 47 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.517 2.00 257 A 3.85 3.71 3.61 3.55 3.51 3.29 3.15 3.11 2.70 2.52 2.50 2.45 2.45 2.33 2.32 2.15 2.14 2.06 2.03 1.87 1.86 1.70 1.68 1.41 1.35 1.31 1.30 1.25 1.23 1.20 1.14 1.06 1.04 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:x P:x P:x P:x P:x P:x P:y P:x P:x P:y P:y P:y P:x P:y P:z P:y P:x P:x P:x P:z P:x P:y P:y P:y P:y P:z P:y P:y P:x P:x P:x P:x P:y P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 37 36 23 22 43 25 29 17 15 38 39 45 45 28 51 43 16 14 24 49 35 26 27 15 47 32 17 41 34 26 27 53 16 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 O O O O O -7.515 2.00 258 A 6.10 5.16 5.13 5.03 4.56 3.93 3.87 3.69 3.62 3.57 3.21 2.99 2.82 2.76 1.87 1.79 1.79 1.74 1.63 1.63 1.41 1.38 1.27 1.26 1.21 1.20 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:z 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:x P:y P:y P:z P:y P:z P:x P:x P:y P:z P:x P:x P:x P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 19 20 31 30 14 16 32 15 18 33 17 52 50 46 49 50 47 52 53 34 48 47 37 24 23 29 O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.503 2.00 259 A 5.33 5.07 4.62 4.57 4.44 4.29 4.11 4.01 3.85 3.82 3.71 3.69 1.21 1.18 1.18 1.14 1.12 1.03 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:x P:y P:z P:x P:z P:x P:y P:z P:y P:z P:x P:z P:x P:y P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 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 50 47 49 51 44 48 45 46 52 42 53 32 36 30 34 38 24 O O O O O O O O O O O O O O O O O O -7.423 2.00 260 A 5.81 5.51 4.84 3.72 3.20 3.15 3.04 2.97 2.86 2.60 2.57 2.45 2.39 2.25 2.09 2.00 1.99 1.88 1.82 1.75 1.62 1.55 1.52 1.51 1.46 1.42 1.40 1.18 1.18 1.16 1.15 1.13 1 1 1 1 1 1 1 1 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:z P:x P:z P:y P:y P:z P:y P:z P:x P:x P:y P:x P:x P:z P:x P:z P:x P:y P:z P:y P:x P:x P:x P:z P:z P:z P:y P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 24 22 25 23 50 15 53 44 43 51 42 52 50 14 45 16 17 20 43 18 45 22 19 23 52 51 53 23 21 24 28 29 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.421 2.00 261 A 5.02 4.16 3.81 3.67 3.64 3.50 3.41 3.00 2.93 2.89 2.88 2.79 2.61 2.56 2.53 2.49 2.44 2.27 2.26 2.15 1.82 1.58 1.56 1.54 1.53 1.48 1.44 1.37 1.33 1.16 1.10 1.10 1.09 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 P:y P:z P:y P:y P:z P:z P:y P:z P:z P:z P:y P:y P:z P:y P:z P:y P:y P:x P:y P:z P:z P:x P:y P:x P:z P:x P:x P:y P:x P:x P:x P:x P:x P:z P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 18 29 27 20 21 26 47 48 49 48 49 19 47 46 46 17 45 14 17 14 43 16 52 15 51 42 15 44 18 27 50 26 16 53 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.376 2.00 262 A 8.96 8.73 6.33 5.33 5.02 4.81 4.51 4.30 3.28 2.81 2.46 2.39 2.37 2.35 1.82 1.74 1.72 1.60 1.25 1.23 1.11 1.08 1.07 1.06 1.03 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 P:z P:z P:y P:y P:x P:z P:z P:x P:y P:x P:y P:y P:y P:x P:x P:x P:z P:z P:z P:x P:y P:y P:x P:z P:y P:z P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 17 15 16 17 15 19 21 16 29 23 33 31 27 25 31 33 37 39 35 41 45 46 53 33 35 31 43 O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.372 2.00 263 A 9.60 7.38 6.07 4.97 4.77 4.65 3.88 3.15 2.72 2.65 2.52 2.06 2.01 1.94 1.90 1.81 1.76 1.61 1.60 1.49 1.47 1.43 1.41 1.39 1.37 1.36 1.34 1.30 1.27 1.15 1.09 1.06 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 P:x P:x P:y P:x P:y P:x P:y P:y P:y P:y P:y P:x P:y P:x P:y P:y P:z P:z P:z P:z P:x P:z P:z P:z P:z P:z P:x P:x P:z P:x P:z P:z P:x P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 17 14 14 24 15 22 16 26 28 36 17 40 29 15 27 34 50 36 48 53 39 46 49 47 17 34 41 38 15 34 52 51 16 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 O O O O O O O O O O -7.371 2.00 264 A 10.34 8.79 6.19 4.98 4.32 4.25 3.78 3.66 2.75 2.60 2.14 2.06 1.96 1.92 1.76 1.75 1.67 1.51 1.50 1.34 1.33 1.33 1.22 1.20 1.19 1.11 1.06 1.05 1.05 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 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:y P:x P:x P:y P:y P:x P:y P:x P:y P:x P:z P:x P:x P:z P:y P:x P:x P:y P:z P:z P:y P:x P:z P:z P:x P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 16 14 20 18 15 15 14 16 32 26 28 30 32 23 30 25 40 14 50 35 48 44 17 17 30 38 16 51 41 32 43 29 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.302 2.00 265 A 4.49 4.30 4.13 4.11 4.09 4.00 3.87 3.78 3.71 3.71 3.59 3.56 3.48 3.45 3.44 3.40 3.13 2.97 2.28 2.24 1.65 1.53 1.52 1.49 1.38 1.35 1.32 1.13 1.11 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 P:z P:z P:z P:y P:z P:z P:z P:y P:z P:y P:y P:z P:z P:y P:z P:y P:y P:y P:y P:y P:x P:x P:y P:z P:y P:x P:x P:x P:z P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 36 22 23 22 37 24 25 35 34 34 23 44 35 25 42 37 36 24 53 51 41 23 50 26 52 40 29 28 27 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 O -7.300 2.00 266 A 4.52 4.42 4.40 4.37 4.10 4.05 3.90 3.84 3.84 3.77 3.77 3.70 3.70 3.69 3.25 3.24 3.21 3.14 2.09 2.02 1.69 1.51 1.47 1.37 1.32 1.17 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:x P:z P:x P:x P:x P:z P:x P:z P:z P:x P:x P:z P:z P:z P:x P:z P:z P:z P:x P:x P:y P:x P:x P:y P:y P:y P:z P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 27 28 39 38 29 38 26 29 43 28 41 39 40 45 40 26 27 41 46 48 25 49 47 36 24 37 35 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 O O -7.297 2.00 267 A 6.17 5.80 5.34 5.07 4.98 4.97 4.95 4.50 4.24 4.10 3.79 3.70 3.61 3.51 3.17 3.10 2.70 2.66 2.39 2.35 2.05 1.98 1.51 1.43 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:y P:y P:x P:x P:y P:y P:x P:y P:x P:y P:x P:x P:y P:y P:x P:x P:x P:x P:y P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 19 33 30 18 31 21 20 32 18 32 19 20 33 30 31 21 52 50 49 47 48 46 51 53 O O O O O O O O O O O O O O O O O O O O O O O O -7.268 2.00 268 A 6.11 4.93 4.68 4.52 4.50 4.17 3.52 3.46 3.10 2.84 2.65 2.52 2.40 2.34 2.32 2.02 2.02 1.98 1.93 1.83 1.78 1.71 1.62 1.53 1.48 1.38 1.35 1.21 1.15 1.10 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 1 1 1 1 1 1 1 1 P:y P:z P:y P:z P:z P:z P:z P:y P:z P:y P:y P:y P:z P:y P:y P:x P:z P:z P:z P:y P:y P:y P:x P:y P:z P:z P:z P:x P:y P:y P:z P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 28 19 31 33 29 38 31 39 33 40 20 26 30 38 21 15 17 27 18 41 39 19 32 40 41 22 31 24 15 23 14 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.266 2.00 269 A 5.34 5.07 4.11 3.64 3.49 3.33 3.32 3.15 2.95 2.94 2.54 2.45 2.44 2.39 2.35 2.31 2.28 2.17 1.95 1.86 1.69 1.69 1.68 1.62 1.60 1.57 1.51 1.41 1.40 1.37 1.26 1.23 1.18 1.13 1.12 1.09 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 1 1 P:x P:x P:z P:x P:z P:z P:x P:y P:x P:z P:z P:z P:x P:x P:x P:x P:y P:y P:z P:y P:y P:x P:x P:z P:x P:y P:y P:z P:x P:x P:z P:z P:z P:y P:z P:z P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 37 18 25 35 23 32 32 23 21 30 26 35 28 20 31 15 40 25 37 38 37 38 16 40 23 20 35 16 30 26 24 14 22 18 34 36 18 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.265 2.00 270 A 4.93 4.34 4.28 3.73 3.69 3.55 3.26 3.22 3.19 2.72 2.71 2.70 2.52 2.49 2.47 2.46 2.30 2.26 2.04 2.00 1.98 1.97 1.78 1.70 1.68 1.60 1.59 1.54 1.45 1.44 1.41 1.38 1.34 1.27 1.24 1.16 1.14 1 1 1 1 1 1 1 1 1 1 1 1 1 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:x P:x P:x P:z P:y P:y P:x P:y P:y P:z P:x P:y P:z P:x P:x P:x P:z P:x P:x P:x P:x P:x P:x P:z P:z P:z P:y P:y P:z P:y P:y -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 36 29 22 34 41 24 39 20 27 24 34 39 30 36 25 22 26 35 27 28 17 41 32 19 38 40 14 22 33 41 30 34 23 16 36 18 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 O O O O O O O O O O O -7.029 2.00 271 A 4.66 4.50 4.34 4.32 3.55 3.21 3.17 3.14 3.13 3.10 3.10 3.06 2.75 2.67 2.64 2.62 2.52 2.51 2.46 2.45 2.37 2.22 2.21 2.20 2.20 2.15 2.09 1.92 1.91 1.80 1.48 1.35 1.35 1.29 1.28 1.22 1.18 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:y P:y P:x P:x P:x P:x P:x P:y P:y P:y P:y P:x P:y P:z P:z P:y P:z P:z P:x P:y P:y P:z P:x P:y P:z P:y P:z P:z P:y P:y P:z P:y P:z P:y P:z P:z P:x P:x -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 31 30 32 20 18 33 32 30 19 21 31 35 35 36 37 34 37 21 34 36 22 19 20 24 18 25 23 24 25 18 22 19 23 20 21 23 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 -7.025 2.00 272 A 4.66 4.39 4.39 4.28 4.10 4.09 3.87 3.82 3.63 3.35 3.09 3.05 2.84 2.67 2.67 2.66 2.03 1.84 1.81 1.79 1.78 1.78 1.71 1.68 1.65 1.64 1.62 1.54 1.26 1.24 1.19 1.11 1.09 1.09 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:x P:x P:z P:z P:z P:x P:z P:x P:x P:x P:z P:z P:x P:z P:z P:x P:y P:z P:y P:y P:z P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:y P:z -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 41 38 40 41 38 39 40 29 28 26 28 27 27 29 26 26 36 27 35 34 35 37 37 34 24 25 36 22 23 29 22 25 28 24 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -4.353 0.00 273 A 7.94 7.54 7.54 7.24 2.92 2.82 2.64 2.60 2.59 2.58 2.50 2.42 1.41 1.36 1.27 1.21 1.04 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy D:x2-y2 D:xy D:xy D:x2-y2 D:yz D:yz D:yz D:yz P:x D:z2 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 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 2 5 3 4 6 7 5 2 8 4 3 9 9 8 6 7 30 7 W W W W W W W W W W W W W W W W O W -4.338 0.00 274 A 6.18 5.60 4.89 4.72 3.42 3.34 2.96 2.92 2.64 2.60 2.47 2.45 2.12 1.96 1.72 1.70 1.58 1.49 1.38 1.34 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 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xz D:xz D:xz D:z2 D:z2 D:z2 D:yz D:z2 D:yz D:yz D:yz D:z2 D:z2 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 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6 33 9 8 31 7 19 35 19 21 13 21 9 11 7 31 8 34 6 25 21 W W W W W W W O W W O W O O O O W O W W W O W O W O O -4.010 0.00 276 A 8.68 8.49 5.88 5.24 3.37 3.18 3.16 2.72 2.70 2.34 1.96 1.93 1.84 1.72 1.44 1.44 1.38 1.38 1.38 1.32 1.31 1.28 1.22 1.21 1.18 1.07 1.07 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 D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xz D:xy D:xz D:x2-y2 D:x2-y2 D:z2 P:x P:x D:z2 P:x P:x D:yz P:x P:z P:y D:yz P:z P:y P:z P:x D:z2 P:z P:y P:x -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 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 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 2 4 10 12 4 12 2 10 7 9 12 32 38 10 28 30 9 18 18 26 7 40 30 20 20 7 26 20 40 W W W W W W W W W W W O O W O O W O O O W O O O O W O O O -4.002 0.00 277 A 6.30 5.70 5.53 5.05 3.07 3.02 2.93 2.77 2.20 2.04 2.03 1.82 1.79 1.73 1.70 1.68 1.66 1.63 1.50 1.46 1.44 1.31 1.31 1.26 1.25 1.18 1.16 1.15 1.06 1.06 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 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:yz D:yz D:xz D:z2 D:x2-y2 D:x2-y2 D:z2 D:x2-y2 D:z2 P:z D:x2-y2 D:z2 P:z D:z2 D:z2 P:z P:x P:y P:x P:x P:z P:z P:z P:z P:x P:y D:yz -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 6 11 8 13 13 8 6 11 13 10 7 11 12 6 34 9 8 41 2 4 36 22 27 39 29 24 39 27 22 24 29 9 W W W W W W W W W W W W W W O W W O W W O O O O O O O O O O O W -3.335 0.00 278 A 6.37 6.21 4.88 4.49 3.59 3.29 3.05 2.95 2.16 1.93 1.57 1.54 1.50 1.46 1.42 1.41 1.40 1.36 1.34 1.33 1.28 1.23 1.23 1.18 1.12 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 1 1 1 1 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xz D:xz D:xz P:y D:x2-y2 D:z2 P:y P:z P:y D:z2 D:yz D:x2-y2 D:z2 D:z2 P:y D:z2 D:yz P:z P:y P:x D:z2 D:x2-y2 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -4.627 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 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 13 12 11 10 11 12 13 10 33 7 8 19 35 31 5 7 6 2 11 21 12 6 25 35 33 10 8 W W W W W W W W O W W O O O W W W W W O W W O O O W W -3.326 0.00 279 A 4.60 4.55 4.49 3.34 3.24 3.02 3.01 2.96 2.94 2.90 2.83 2.63 2.45 2.12 2.03 1.96 1.56 1.47 1.45 1.43 1.41 1.29 1.27 1.21 1.17 1.12 1.11 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 1 1 D:x2-y2 D:x2-y2 D:x2-y2 D:yz D:x2-y2 D:z2 D:z2 D:yz D:yz D:yz D:z2 D:z2 D:z2 D:z2 D:z2 P:x P:x D:xy D:xy P:x P:z D:xy P:x D:xy P:x P:z P:z P:y -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 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 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 9 6 8 8 7 9 2 6 7 9 3 5 4 6 7 39 29 3 2 41 39 5 30 10 27 29 41 30 W W W W W W W W W W W W W W W O O W W O O W O W O O O O -3.325 0.00 280 A 6.41 6.24 4.79 4.70 2.84 2.71 2.71 2.53 2.50 2.21 2.07 1.75 1.52 1.50 1.46 1.40 1.40 1.34 1.25 1.24 1.17 1.15 1.13 1.12 1.04 1.03 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 1 1 1 1 1 D:z2 D:z2 D:z2 D:z2 D:xy D:x2-y2 D:xy D:x2-y2 D:xy D:xy D:x2-y2 P:z D:xz P:x P:z D:xz D:z2 P:z P:z P:y D:x2-y2 P:x D:x2-y2 P:z D:yz P:x D:xy D:xz D:x2-y2 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -4.627 -9.204 -4.627 -4.627 -4.627 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 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 4 3 2 5 3 12 5 10 4 2 11 36 10 38 34 13 13 22 38 36 7 28 8 24 9 32 11 12 9 W W W W W W W W W W W O W O O W W O O O W O W O W O W W W -3.319 0.00 281 A 6.78 6.25 5.47 4.76 3.92 2.81 2.54 2.36 2.28 2.25 2.10 2.07 2.03 1.88 1.86 1.75 1.70 1.66 1.66 1.59 1.55 1.51 1.42 1.40 1.38 1.36 1.33 1.31 1.28 1.25 1.15 1.08 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 D:z2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:z2 D:x2-y2 P:y D:x2-y2 P:z D:xy P:x D:z2 P:z P:x D:xz P:x D:z2 D:yz P:y P:y D:xz D:x2-y2 P:x P:z D:x2-y2 D:yz D:x2-y2 P:x D:xy P:z D:z2 D:z2 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -4.627 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -4.627 -4.627 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 11 2 4 13 8 6 6 42 13 51 8 53 7 53 51 6 44 9 13 44 46 2 3 42 48 5 4 11 46 2 46 10 4 W W W W W W W O W O W O W O O W O W W O O W W O O W W W O W O W W -3.300 0.00 282 A 5.17 4.24 4.20 4.11 3.95 3.61 3.61 3.16 2.94 2.47 1.92 1.85 1.82 1.81 1.80 1.76 1.75 1.71 1.66 1.63 1.63 1.56 1.55 1.54 1.52 1.51 1.43 1.41 1.40 1.27 1.25 1.21 1.19 1.08 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:z2 D:z2 P:z D:xz D:xz D:z2 P:z D:yz D:z2 D:x2-y2 P:x D:yz D:xy D:xy P:x D:x2-y2 P:z D:xz P:y D:xy D:x2-y2 P:y P:x P:z D:xy D:yz P:x P:y D:x2-y2 P:z D:yz P:y P:z D:xz D:yz D:z2 D:xy -4.627 -4.627 -9.204 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -4.627 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 0.80 0.80 1.33 0.80 0.80 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 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 10 9 42 2 4 12 44 2 7 7 46 4 9 11 52 3 49 6 51 6 5 53 48 50 8 13 50 47 12 47 12 49 52 8 11 2 13 W W O W W W O W W W O W W W O W O W O W W O O O W W O O W O W O O W W W W -3.296 0.00 283 A 4.84 4.08 4.07 3.87 3.79 3.52 3.45 3.30 3.06 3.03 3.01 2.97 2.90 2.70 2.40 2.22 2.13 2.07 2.04 1.75 1.56 1.52 1.46 1.39 1.38 1.28 1.23 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 D:xy P:x P:x D:yz D:x2-y2 D:z2 D:xz D:x2-y2 D:xy P:y D:x2-y2 P:y D:yz D:xz D:xz D:xy D:x2-y2 D:xy P:z P:z D:z2 P:x D:yz D:z2 D:x2-y2 D:z2 D:x2-y2 D:z2 -4.627 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 0.80 1.33 1.33 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 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 7 49 47 11 3 13 9 5 13 51 9 53 5 7 3 9 2 11 45 43 10 45 13 5 4 7 11 11 W O O W W W W W W O W O W W W W W W O O W O W W W W W W -3.289 0.00 284 A 4.86 4.21 4.08 3.97 3.91 3.85 3.81 3.53 3.33 3.22 3.06 3.00 2.94 2.74 2.63 2.55 2.42 1.95 1.87 1.85 1.84 1.66 1.38 1.30 1.28 1.21 1.15 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 D:yz P:y P:y D:x2-y2 D:yz D:z2 D:xy D:xz D:x2-y2 D:z2 P:z P:z D:xz D:xy D:xy D:x2-y2 D:yz P:x D:yz P:y P:x D:z2 P:z D:xz D:x2-y2 P:x D:z2 P:y P:y -4.627 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -4.627 -9.204 -4.627 -9.204 -9.204 0.80 1.33 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 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 10 52 50 8 3 6 12 5 5 12 43 45 8 6 10 3 12 48 5 48 46 8 46 3 10 43 3 46 45 W O O W W W W W W W O O W W W W W O W O O W O W W O W O O -3.039 0.00 285 A 4.82 3.39 2.97 2.83 2.74 2.33 2.26 2.13 2.11 2.11 1.91 1.69 1.66 1.65 1.59 1.57 1.56 1.54 1.47 1.47 1.39 1.36 1.32 1.29 1.28 1.27 1.26 1.24 1.23 1.22 1.21 1.20 1.19 1.16 1.15 1.14 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 1 1 1 1 1 1 1 1 1 1 1 D:z2 D:x2-y2 D:z2 D:z2 D:xz D:x2-y2 D:yz D:yz P:z D:xy D:z2 D:xy D:x2-y2 D:xz P:y D:yz D:xz P:z P:z P:x D:xy D:xz D:xy P:y D:yz P:z D:yz D:yz D:x2-y2 D:yz D:xz P:z P:x D:xz P:x P:y P:z D:xy D:xy -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -4.627 -4.627 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 0.80 0.80 1.33 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 0.80 11 13 9 13 2 5 3 13 42 11 7 2 3 5 52 2 12 43 45 53 12 6 9 51 4 44 5 6 7 12 4 51 51 7 46 53 53 10 6 W W W W W W W W O W W W W W O W W O O O W W W O W O W W W W W O O W O O O W W -3.034 0.00 286 A 5.53 5.27 3.19 3.08 2.86 2.71 2.66 2.56 2.49 2.43 2.42 2.38 1.64 1.62 1.56 1.54 1.52 1.44 1.38 1.37 1.36 1.35 1.31 1.30 1.26 1.13 1.09 1.09 1.09 1.06 1.04 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 1 1 1 1 1 D:x2-y2 D:x2-y2 D:yz D:xy D:yz P:y D:xy P:y P:y D:z2 D:z2 D:xy D:yz P:y P:x D:yz P:y D:xz P:y D:xy D:x2-y2 D:yz D:xy D:xz D:xz P:x D:x2-y2 P:x D:z2 D:xz P:x P:x D:xz D:xy -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 2 4 11 13 10 51 11 53 50 13 6 10 9 44 49 13 52 8 42 12 8 12 7 9 10 48 11 47 8 7 44 42 4 6 W W W W W O W O O W W W W O O W O W O W W W W W W O W O W W O O W W -3.029 0.00 287 A 3.89 3.01 3.00 2.99 2.50 2.50 2.43 2.31 2.25 2.23 2.11 1.96 1.92 1.86 1.85 1.83 1.77 1.71 1.65 1.63 1.58 1.54 1.51 1.49 1.44 1.39 1.38 1.37 1.35 1.28 1.25 1.25 1.23 1.19 1.14 1.13 1.06 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 1 1 1 D:z2 D:z2 D:xy D:z2 P:x P:z D:yz D:xz D:yz D:xz D:xy D:x2-y2 D:xz D:xz P:x P:x P:z D:x2-y2 D:x2-y2 D:xz D:x2-y2 D:xy D:xz P:z D:xz P:z D:xy D:yz D:x2-y2 D:xy P:x P:x D:x2-y2 P:x D:xz D:x2-y2 P:z D:yz D:yz -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -4.627 -9.204 -4.627 -4.627 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 1.33 1.33 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 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 10 8 8 12 48 44 5 6 4 4 7 3 2 7 47 46 45 6 9 3 12 6 8 43 9 42 5 3 5 4 49 52 4 50 13 10 50 2 7 W W W W O O W W W W W W W W O O O W W W W W W O W O W W W W O O W O W W O W W -2.948 0.00 288 A 8.69 8.65 7.37 5.53 4.13 3.59 3.35 3.24 2.96 2.66 2.57 2.52 2.38 2.33 1.89 1.61 1.42 1.32 1.31 1.13 1.11 1.11 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 D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:x2-y2 P:z P:z P:x P:x D:x2-y2 P:y P:y D:x2-y2 P:z P:x P:z P:x P:x P:y -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 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 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 11 13 2 4 9 3 11 7 5 53 51 51 53 13 42 44 7 49 42 47 43 44 49 W W W W W W W W W O O O O W O O W O O O O O O -2.932 0.00 289 A 9.04 8.65 7.88 6.87 5.97 3.59 3.10 2.68 2.67 2.58 2.55 2.50 2.48 2.33 2.30 2.18 2.11 2.09 1.57 1.16 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 D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:z P:x P:z P:y P:x P:z D:x2-y2 P:z D:x2-y2 P:y P:y P:x D:xy P:y -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -9.204 -9.204 -4.627 -9.204 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 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 8 10 12 6 4 2 10 6 48 50 50 48 52 52 12 46 8 46 44 44 8 42 W W W W W W W W O O O O O O W O W O O O W O -2.927 0.00 290 A 11.17 10.96 7.70 6.43 2.90 2.87 2.68 2.61 2.54 2.40 2.31 2.31 2.18 2.11 2.07 1.95 1.75 1.65 1.20 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:x2-y2 D:x2-y2 D:z2 D:z2 P:x P:x D:z2 D:x2-y2 D:z2 P:y P:y P:y P:z P:y D:x2-y2 P:z D:z2 D:z2 D:x2-y2 D:x2-y2 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 5 3 7 9 45 43 12 7 6 45 43 47 47 49 9 49 8 10 2 4 W W W W O O W W W O O O O O W O W W W W -2.857 0.00 291 A 4.12 3.80 3.57 3.50 3.43 3.35 3.18 3.08 3.05 3.03 2.92 2.87 2.82 2.81 2.77 2.68 2.46 2.38 2.37 2.37 2.33 2.26 2.14 2.11 1.40 1.24 1.14 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 1 1 D:yz D:yz D:xz D:xz P:z P:z P:z P:z D:yz D:xy D:xz D:yz D:xy P:y P:y D:yz P:y D:xz P:y D:yz D:yz D:xy D:yz D:xy D:z2 D:z2 D:z2 D:x2-y2 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 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 1.33 1.33 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 5 3 2 4 43 45 44 42 10 10 3 2 11 50 52 12 53 5 51 4 11 13 13 12 4 3 5 12 W W W W O O O O W W W W W O O W O W O W W W W W W W W W -2.849 0.00 292 A 4.57 4.35 4.16 3.95 3.86 3.84 3.74 3.61 3.56 3.33 2.71 2.49 2.43 2.17 1.68 1.63 1.58 1.52 1.49 1.34 1.32 1.29 1.28 1.14 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 D:xy D:xy D:xz D:xz P:x P:x P:x P:x D:xz D:xz D:xy D:xy D:x2-y2 D:x2-y2 D:yz D:xy D:xy P:y P:y P:y D:yz D:yz D:xy P:y D:xy D:x2-y2 P:x P:x -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -9.204 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 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 7 6 8 7 47 48 46 49 6 9 8 9 9 8 10 11 10 52 50 51 12 11 12 53 13 12 37 36 W W W W O O O O W W W W W W W W W O O O W W W O W W O O -2.700 0.00 293 A 4.21 4.03 3.90 3.68 2.72 2.71 2.60 2.57 2.52 2.46 2.39 2.32 2.30 2.28 2.15 2.05 2.02 1.99 1.96 1.83 1.59 1.51 1.42 1.40 1.34 1.31 1.19 1.12 1.10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:yz D:xz D:x2-y2 D:z2 D:yz D:x2-y2 D:xz D:z2 D:z2 D:x2-y2 D:z2 D:xz D:xz D:yz D:yz P:z P:z P:y P:z P:y -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 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 1.33 1.33 1.33 1.33 1.33 8 6 13 11 11 13 6 8 12 6 13 10 7 8 7 11 9 12 9 10 10 12 9 7 32 33 33 30 19 W W W W W W W W W W W W W W W W W W W W W W W W O O O O O -2.691 0.00 294 A 9.84 9.44 4.91 3.89 3.82 3.54 3.45 3.14 1.72 1.63 1.56 1.49 1.27 1.27 1.24 1.22 1.18 1.16 1.16 1.14 1.11 1.09 1.06 1.06 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 D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:xy D:x2-y2 D:xz D:xz D:x2-y2 D:xz P:x P:z D:z2 D:xz P:z P:z D:x2-y2 D:z2 P:y P:z P:z P:z P:y P:x -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 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 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 2 4 12 13 10 2 4 11 10 11 6 12 34 34 5 13 35 40 7 3 34 25 24 41 35 35 W W W W W W W W W W W W O O W W O O W W O O O O O O -2.681 0.00 295 A 9.42 9.32 5.31 4.58 3.44 3.31 3.22 2.45 2.33 2.21 2.03 1.45 1.40 1.31 1.23 1.15 1.14 1.11 1.08 1.08 1.07 1.05 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 D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:x2-y2 D:xy D:x2-y2 D:yz D:x2-y2 D:yz P:z P:x D:z2 P:z P:z P:x D:z2 P:y P:y D:z2 D:yz P:z P:x P:x -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 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 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 3 5 9 7 5 8 3 6 7 10 9 38 38 4 28 37 28 9 39 38 2 6 39 39 37 W W W W W W W W W W W O O W O O O W O O W W O O O -2.334 0.00 296 A 2.09 2.04 2.03 1.93 1.91 1.91 1.86 1.77 1.70 1.69 1.69 1.67 1.61 1.59 1.57 1.56 1.55 1.54 1.51 1.45 1.34 1.24 1.11 1.03 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 D:xz D:z2 S D:z2 D:z2 D:yz D:x2-y2 D:xz D:xy D:x2-y2 D:xy D:yz D:xy D:xy D:yz D:x2-y2 D:z2 D:xz D:x2-y2 D:yz D:xz D:x2-y2 D:xy D:xz D:xy D:x2-y2 D:x2-y2 -4.627 -4.627 -10.970 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 0.80 0.80 2.00 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 10 4 1 3 5 7 9 11 3 12 4 6 5 2 8 8 2 13 13 9 12 10 6 8 11 6 7 W W Si W W W W W W W W W W W W W W W W W W W W W W W W -2.244 0.00 297 A 8.11 7.26 5.63 5.61 4.96 4.48 3.20 3.19 2.55 2.32 1.73 1.71 1.70 1.67 1.57 1.31 1.25 1.14 1.13 1.13 1.09 1.07 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 D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:x P:z D:x2-y2 P:z P:x P:x P:z P:y P:x P:z P:x P:y -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 11 13 10 12 2 4 5 3 11 13 10 25 51 12 53 51 53 50 42 52 52 50 44 W W W W W W W W W W W O O W O O O O O O O O O -2.227 0.00 298 A 6.63 6.44 6.17 5.79 5.51 5.35 4.50 4.39 2.29 2.07 1.78 1.68 1.48 1.35 1.34 1.34 1.19 1.14 1.09 1.09 1.08 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:z P:z P:z P:z P:y P:y P:y P:y P:y P:y -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 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 1.33 1.33 1.33 1.33 1.33 1.33 9 8 6 7 2 4 3 5 6 7 9 8 49 48 46 47 46 48 27 49 26 47 W W W W W W W W W W W W O O O O O O O O O O -2.150 0.00 299 A 6.65 6.14 5.34 4.46 3.80 3.49 3.09 2.88 2.88 2.88 2.49 2.45 2.29 2.03 1.97 1.87 1.81 1.74 1.70 1.48 1.44 1.35 1.22 1.16 1.14 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 D:xy D:xz D:yz D:xy D:yz P:y P:x D:yz D:xz P:y P:z D:xz D:xz P:z P:z D:xy D:z2 P:y D:xz D:x2-y2 P:x D:xz P:z D:xy D:x2-y2 P:x -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -4.627 -9.204 -4.627 -4.627 -9.204 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 11 2 11 13 13 51 25 2 6 53 42 9 4 18 19 9 12 27 3 13 35 13 44 6 12 22 W W W W W O O W W O O W W O O W W O W W O W O W W O -2.134 0.00 300 A 6.48 6.39 5.40 5.26 4.18 3.51 3.42 3.35 3.34 3.33 2.68 2.66 2.38 2.01 1.96 1.83 1.82 1.62 1.40 1.37 1.29 1.28 1.24 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 D:xz D:yz D:xy D:xy D:yz P:y D:yz P:z D:xz P:x D:xy P:x P:y P:y P:z D:xz D:xz D:xz D:xz P:x D:yz D:z2 D:xy D:z2 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -4.627 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 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 0.80 0.80 0.80 7 12 12 7 5 52 10 21 5 47 10 23 28 50 45 12 8 9 4 49 11 6 9 13 W W W W W O W O W O W O O O O W W W W O W W W W -2.129 0.00 301 A 5.08 5.03 4.58 4.23 3.89 3.88 3.81 2.91 2.89 2.81 2.46 2.43 2.19 2.08 1.97 1.94 1.74 1.73 1.68 1.60 1.47 1.46 1.39 1.33 1.30 1.26 1.12 1.10 1.07 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 D:xy D:xy D:yz D:xz D:yz D:xz D:xz P:x P:x D:yz D:yz P:z D:yz P:y P:x D:xy P:z P:z D:xy D:xz P:x P:y D:yz P:z P:z D:yz P:y P:y D:xy D:xz -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -9.204 -4.627 -4.627 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 8 6 4 6 3 4 8 48 46 10 2 44 13 26 24 13 19 20 10 2 22 29 8 42 43 5 50 40 9 3 W W W W W W W O O W W O W O O W O O W W O O W O O W O O W W -2.100 0.00 302 A 7.90 6.59 5.88 4.94 2.48 2.15 2.00 1.99 1.96 1.92 1.91 1.72 1.68 1.64 1.59 1.50 1.44 1.39 1.35 1.33 1.31 1.22 1.19 1.16 1.14 1.08 1.04 1.03 1.02 1.01 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 D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:yz D:x2-y2 D:yz D:xz D:xz D:x2-y2 D:xz D:xy D:xz P:x D:xy P:z P:z P:z P:x P:z P:z P:z P:x P:x P:x D:xy D:x2-y2 P:x P:x P:z P:z -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 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 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 10 12 11 13 10 5 11 3 5 3 12 9 9 8 50 8 18 50 20 52 45 43 52 36 22 51 7 13 49 23 53 51 W W W W W W W W W W W W W W O W O O O O O O O O O O W W O O O O -2.092 0.00 303 A 9.50 8.26 8.18 5.38 2.06 1.93 1.87 1.85 1.84 1.68 1.53 1.46 1.30 1.20 1.16 1.16 1.15 1.15 1.11 1.10 1.09 1.09 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 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:y P:y D:z2 P:x D:z2 D:xy D:xy P:x D:xz D:yz D:xz P:y P:y D:xy D:yz D:xy D:xz P:x P:y P:y -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 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 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 3 2 5 4 27 29 6 43 9 9 11 45 9 11 6 39 42 13 13 6 7 42 41 44 W W W W O O W O W W W O W W W O O W W W W O O O -2.084 0.00 304 A 6.57 6.38 5.62 5.17 2.90 2.16 2.15 2.06 2.01 2.00 1.92 1.83 1.78 1.68 1.43 1.40 1.37 1.37 1.35 1.32 1.27 1.20 1.16 1.13 1.09 1.08 1.06 1.03 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 D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 P:y D:yz D:x2-y2 D:yz D:x2-y2 D:yz D:xy P:y D:xz P:z D:x2-y2 D:x2-y2 D:xz P:y P:z P:y P:z P:z P:y P:y P:z P:y D:yz P:z -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -9.204 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 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 8 7 9 6 9 6 28 5 8 10 7 3 10 38 3 47 5 4 2 49 48 48 49 20 50 46 46 26 12 43 W W W W W W O W W W W W W O W O W W W O O O O O O O O O W O -1.975 0.00 305 A 4.96 4.56 4.16 3.81 3.79 3.13 3.08 2.80 2.72 2.70 2.56 2.41 2.28 2.16 2.14 2.14 1.62 1.60 1.53 1.49 1.49 1.35 1.33 1.26 1.26 1.17 1.16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:x2-y2 D:z2 D:x2-y2 D:yz D:z2 D:z2 D:z2 D:yz D:xy D:xz D:xy D:xz P:x P:y D:xy P:z D:xz D:x2-y2 D:yz D:x2-y2 P:z D:xz P:y P:x D:yz P:y D:x2-y2 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 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 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 4 13 2 3 11 6 8 10 9 9 10 3 25 26 6 19 8 13 2 11 43 4 50 49 11 38 8 W W W W W W W W W W W W O O W O W W W W O W O O W O W -1.972 0.00 306 A 5.79 5.59 3.23 3.22 3.03 2.99 2.63 2.26 2.00 1.98 1.89 1.75 1.73 1.58 1.52 1.46 1.45 1.41 1.31 1.31 1.26 1.23 1.22 1.13 1.04 1.03 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 D:z2 D:z2 D:xy D:xz D:x2-y2 D:x2-y2 D:xz D:xy D:x2-y2 P:y D:yz D:x2-y2 D:x2-y2 D:yz P:y P:z P:z D:xz D:yz D:x2-y2 D:xz P:x D:xy D:yz D:yz D:z2 D:z2 P:x -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 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 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 7 9 11 2 3 4 5 12 5 28 5 7 9 12 27 18 21 6 11 2 8 24 6 10 2 13 10 22 W W W W W W W W W O W W W W O O O W W W W O W W W W W O -1.962 0.00 307 A 5.21 5.12 4.73 4.26 3.54 3.15 2.75 2.73 2.51 2.26 2.17 2.09 2.04 1.95 1.80 1.77 1.69 1.66 1.58 1.48 1.25 1.22 1.21 1.18 1.14 1.09 1.07 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 D:x2-y2 D:z2 D:z2 D:x2-y2 D:xy D:xz D:xz D:z2 D:yz P:x D:yz D:z2 P:z D:yz D:xy D:xy P:y D:xz P:x D:yz P:x D:x2-y2 D:x2-y2 P:z P:y D:x2-y2 P:y D:x2-y2 P:y -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -4.627 -9.204 -4.627 -4.627 -9.204 -9.204 -4.627 -9.204 -4.627 -9.204 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 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 5 10 12 3 7 7 4 8 4 23 5 6 20 13 13 8 29 6 47 12 24 8 12 44 39 6 41 10 48 W W W W W W W W W O W W O W W W O W O W O W W O O W O W O -1.670 0.00 308 A 2.30 2.13 2.09 2.00 1.99 1.97 1.92 1.92 1.78 1.70 1.69 1.67 1.58 1.57 1.51 1.47 1.42 1.39 1.36 1.36 1.31 1.25 1.24 1.23 1.21 1.21 1.17 1.14 1.13 1.13 1.11 1.10 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 1 1 1 1 1 1 1 1 1 1 D:yz D:yz D:xy D:xy D:xz D:xz D:xy D:yz D:xz D:xz D:yz D:xy D:xz D:xz D:xy D:yz D:xz D:yz D:xy D:xz D:xy P:z D:yz P:x P:z P:x P:x P:y D:yz D:yz P:y P:y P:y D:xy -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -9.204 -9.204 -9.204 -9.204 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 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 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 3 10 8 9 6 4 13 5 7 2 11 12 9 5 10 12 3 4 11 8 7 20 13 22 18 24 23 29 9 2 28 27 26 6 W W W W W W W W W W W W W W W W W W W W W O W O O O O O W W O O O W -0.774 0.00 309 A 6.53 2.63 2.61 2.41 2.35 2.32 2.22 2.19 2.05 1.97 1.94 1.93 1.84 1.84 1.77 1.69 1.69 1.66 1.62 1.62 1.59 1.56 1.44 1.38 1.32 1.16 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 S D:z2 D:z2 D:xy D:xy D:xz D:xz D:yz D:yz D:x2-y2 D:x2-y2 D:yz D:xz D:z2 S D:x2-y2 D:z2 D:x2-y2 D:yz D:xy D:x2-y2 D:xz D:xy D:x2-y2 D:x2-y2 D:x2-y2 -10.970 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 3.796 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 2.00 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 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1 2 4 2 4 13 11 6 8 13 6 7 12 5 1 11 3 8 9 5 7 10 3 9 12 10 Si W W W W W W W W W W W W W Si W W W W W W W W W W W -0.727 0.00 310 A 3.27 3.21 3.07 3.07 2.97 2.97 2.57 2.53 2.47 2.43 2.22 2.14 2.10 1.66 1.64 1.62 1.54 1.52 1.47 1.37 1.34 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xz D:yz D:yz D:xz D:xy D:xz D:xy D:xz D:yz D:xy D:yz D:xz D:xy D:xy P:y D:z2 D:x2-y2 D:yz D:x2-y2 P:x P:z -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 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 0.80 1.33 1.33 8 4 2 4 13 6 8 2 11 6 13 10 11 3 40 3 10 9 6 35 33 W W W W W W W W W W W W W W O W W W W O O -0.714 0.00 311 A 4.92 4.00 2.97 2.95 2.92 2.56 2.38 2.32 2.31 2.16 1.84 1.83 1.81 1.77 1.68 1.68 1.61 1.56 1.48 1.35 1.33 1.30 1.19 1.17 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 D:xy D:xy D:yz D:yz D:xy D:xy D:z2 D:xz D:xy D:xz D:xy D:x2-y2 D:yz P:z D:z2 D:xy D:yz D:xy D:yz D:z2 D:z2 P:x P:y D:xy D:xy -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 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 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 12 10 10 12 9 7 5 9 5 7 8 7 4 31 4 4 2 6 8 2 3 34 41 3 2 W W W W W W W W W W W W W O W W W W W W W O O W W -0.702 0.00 312 A 5.28 5.01 3.48 3.33 2.43 2.27 2.10 1.95 1.93 1.82 1.74 1.74 1.73 1.61 1.59 1.57 1.48 1.25 1.24 1.19 1.17 1.16 1.13 1.10 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 D:xz D:xz D:yz D:yz D:yz D:yz D:yz D:xz D:xz D:xy P:y D:yz D:x2-y2 P:x D:xy D:xz D:yz D:xz D:yz D:z2 P:z D:xz P:y D:xz D:x2-y2 P:x -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -4.627 -4.627 -9.204 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 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 5 3 3 5 13 11 6 9 7 9 38 7 11 36 7 12 12 13 10 7 32 6 39 8 13 37 W W W W W W W W W W O W W O W W W W W W O W O W W O -0.472 0.00 313 A 3.08 2.90 2.81 2.70 2.51 2.29 -2.17 2.07 2.03 2.01 1.95 1.90 1.87 1.86 1.83 1.70 1.68 1.68 -1.67 1.60 -1.58 1.54 -1.54 -1.45 1.44 1.43 1.41 1.41 1.38 1.36 1.33 1.32 1.31 1.28 1.25 1.24 1.24 1.23 1.22 1.21 1.20 1.18 1.13 1.10 1.10 1.09 1.09 1.08 1.08 -1.04 1.03 1.02 1.02 2 3 3 3 2 2 2 2 2 2 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 1 1 1 1 2 1 1 2 1 2 3 1 1 1 2 3 2 1 2 2 3 1 2 2 2 1 1 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 P:z 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 P:x -5.836 1.301 1.301 1.301 -5.836 -5.836 2.536 2.536 2.536 2.536 1.301 2.536 2.536 2.536 2.536 2.536 2.536 1.301 2.536 2.536 2.536 1.301 2.536 2.536 -5.836 2.536 -5.426 -6.626 -6.626 -6.626 2.536 -6.626 -6.626 -5.836 -6.626 -5.836 1.301 -6.626 -6.626 -6.626 2.536 1.301 2.536 -6.626 2.536 2.536 1.301 -5.426 2.536 2.536 2.536 -6.626 -5.426 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 0.00 0.00 0.00 0.00 2.00 0.00 0.67 1.00 1.00 1.00 0.00 1.00 1.00 2.00 1.00 2.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 1.00 0.67 12 2 12 11 11 2 83 84 97 85 7 79 94 95 86 87 93 6 88 77 92 13 78 96 7 76 64 97 85 84 74 94 95 13 86 6 5 79 87 93 91 9 90 77 81 115 8 61 114 113 89 74 62 W W W W W W H H H H W H H H H H H W H H H W H H W H C H H H H H H W H W W H H H H W H H H H W C H H H H C -0.363 0.00 314 A 2.88 2.42 2.30 2.26 2.17 2.13 2.13 2.05 2.01 2.00 -1.99 -1.89 1.83 1.80 1.78 1.74 1.72 1.72 1.70 1.69 1.67 1.66 1.66 1.65 -1.64 1.62 1.59 1.57 1.56 1.54 1.54 -1.52 1.51 1.49 -1.48 1.48 1.47 1.45 1.42 -1.38 -1.37 1.33 1.33 1.33 1.32 1.31 1.29 1.28 1.26 1.25 1.25 1.23 1.22 1.18 1.17 -1.16 1.15 1.13 1.12 -1.12 1.12 -1.10 1.10 1.10 1.05 1.03 -1.00 1 3 2 2 3 2 2 1 2 1 2 2 2 1 2 1 2 2 2 2 2 2 2 1 2 1 1 1 2 2 1 2 1 1 2 1 2 2 1 2 2 2 1 2 1 1 1 1 2 1 1 1 2 2 1 2 2 1 2 2 2 2 1 2 2 1 2 P:z S S S S S S P:x S P:y S S S S S P:x S S S S S S S S S P:z S S S S S S S P:y S P:z S S P:x 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 -5.426 1.301 2.536 -5.836 1.301 2.536 2.536 -5.426 -5.836 -5.426 2.536 2.536 2.536 -6.626 2.536 -5.426 2.536 2.536 2.536 2.536 2.536 2.536 2.536 -6.626 2.536 -5.426 -6.626 -6.626 2.536 2.536 -6.626 2.536 -6.626 -5.426 16.011 -5.426 2.536 2.536 -5.426 2.536 2.536 2.536 -6.626 2.536 -6.626 -6.626 -6.626 -6.626 2.536 -6.626 -6.626 -6.626 2.536 2.536 -6.626 2.536 2.536 -6.626 2.536 2.536 2.536 16.011 -6.626 2.536 2.536 -6.626 2.536 0.67 0.00 0.00 2.00 0.00 0.00 0.00 0.67 2.00 0.67 0.00 0.00 0.00 1.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.67 1.00 1.00 0.00 0.00 1.00 0.00 1.00 0.67 0.00 0.67 0.00 0.00 0.67 0.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 1.00 0.00 1.00 1.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 70 11 112 11 13 111 116 66 13 73 118 110 117 112 114 72 103 115 121 105 99 119 102 111 113 64 116 117 120 97 115 98 114 69 57 68 100 95 71 106 88 108 121 104 103 99 119 102 107 100 105 120 109 93 97 96 87 104 84 101 86 56 95 94 91 108 92 C W H W W H H C W C H H H H H C H H H H H H H H H C H H H H H H H C N C H H C H H H H H H H H H H H H H H H H H H H H H H N H H H H H -0.337 0.00 315 A 2.41 2.18 2.16 -1.99 1.95 1.93 -1.88 1.88 1.85 1.82 1.81 1.74 1.70 1.69 1.67 1.64 1.64 -1.61 1.52 1.49 1.48 1.48 1.48 1.48 -1.47 1.46 1.46 1.45 1.43 1.42 1.42 -1.39 1.38 1.36 1.36 1.34 1.32 1.30 1.28 1.28 -1.25 1.23 1.23 1.21 1.20 -1.20 1.18 1.17 -1.16 1.16 1.15 1.14 1.14 1.13 1.10 1.10 -1.10 1.10 -1.08 1.08 1.07 1.03 1.03 -1.02 1 2 2 2 1 2 2 2 2 1 2 2 2 1 1 2 1 2 1 2 1 1 2 1 2 2 1 2 2 1 2 2 1 2 1 2 3 1 2 1 2 1 1 1 1 2 2 2 2 2 1 3 3 2 2 1 2 1 2 1 1 2 2 2 P:x S S S P:z S S S S P:x S S S S P:y S S S P:z S P:z S S S S S S S S S S S S S P:z S S P:y 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 -5.426 2.536 2.536 2.536 -5.426 2.536 2.536 2.536 2.536 -5.426 2.536 2.536 2.536 -6.626 -5.426 2.536 -6.626 2.536 -5.426 2.536 -5.426 -6.626 2.536 -6.626 2.536 2.536 -6.626 2.536 2.536 -6.626 2.536 2.536 -6.626 2.536 -5.426 2.536 1.301 -5.426 2.536 -6.626 2.536 -6.626 -6.626 -6.626 -6.626 2.536 2.536 2.536 16.011 2.536 -6.626 1.301 1.301 2.536 2.536 -6.626 2.536 -6.626 2.536 -5.426 -6.626 2.536 -5.836 16.011 0.67 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 1.00 0.67 0.00 1.00 0.00 0.67 0.00 0.67 1.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.67 0.00 0.00 0.67 0.00 1.00 0.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 0.67 1.00 0.00 2.00 0.00 66 99 100 98 70 102 106 105 103 61 104 115 114 100 69 108 99 113 68 109 64 103 107 102 78 112 104 79 117 105 111 101 115 116 60 77 13 73 121 114 118 108 112 79 109 110 74 119 56 120 117 4 12 81 94 107 88 111 92 62 116 86 13 54 C H H H C H H H H C H H H H C H H H C H C H H H H H H H H H H H H H C H W C H H H H H H H H H H N H H W W H H H H H H C H H W N -0.327 0.00 316 A 3.16 3.00 2.36 2.28 1.98 1.84 1.80 -1.76 1.72 -1.70 1.68 -1.66 1.66 1.62 1.58 1.57 1.56 1.56 1.55 1.51 1.50 1.47 1.47 1.45 1.42 1.42 1.42 1.41 1.40 1.39 1.38 -1.37 1.37 1.37 1.34 -1.33 1.33 1.31 1.31 1.30 1.29 1.27 1.26 1.24 -1.23 1.22 1.22 1.21 1.18 1.15 1.13 1.13 1.09 1.07 1.07 1.06 1.06 -1.05 1.05 1.04 1.03 1.02 1 1 1 1 2 1 2 2 2 2 1 2 2 1 2 2 2 2 1 2 1 1 2 2 1 2 1 2 1 2 1 2 1 1 1 2 2 1 2 1 1 1 1 1 2 2 1 1 1 1 1 2 2 2 1 1 2 2 1 3 2 2 P:z P:x P:z P:x S P:y S S S S P:y S S S S S S S P:x S S P:y S S P:z S S S S S S S P:y 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:y S S S -5.426 -5.426 -5.426 -5.426 2.536 -5.426 2.536 16.011 2.536 16.011 -5.426 2.536 2.536 -6.626 2.536 2.536 2.536 2.536 -5.426 2.536 -6.626 -5.426 2.536 2.536 -5.426 2.536 -6.626 2.536 -6.626 2.536 -6.626 2.536 -5.426 -6.626 -6.626 2.536 2.536 -6.626 2.536 -6.626 -6.626 -6.626 -6.626 -6.626 2.536 -5.836 -6.626 -6.626 -18.745 -18.745 -6.626 2.536 2.536 2.536 -6.626 -6.626 2.536 2.536 -5.426 1.301 2.536 2.536 0.67 0.67 0.67 0.67 0.00 0.67 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.67 0.00 1.00 0.67 0.00 0.00 0.67 0.00 1.00 0.00 1.00 0.00 1.00 0.00 0.67 1.00 1.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 1.00 1.00 0.00 2.00 1.00 1.00 2.00 2.00 1.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.67 0.00 0.00 0.00 64 61 60 62 74 65 76 54 77 55 59 88 81 74 80 87 84 82 66 86 76 58 91 90 70 93 77 94 87 85 84 78 63 81 85 75 89 93 79 79 86 82 80 94 92 2 90 91 55 54 95 95 99 102 97 89 97 98 69 2 103 100 C C C C H C H N H N C H H H H H H H C H H C H H C H H H H H H H C H H H H H H H H H H H H W H H N N H H H H H H H H C W H H -0.064 0.00 317 A 4.11 4.07 3.44 3.42 3.27 2.64 2.50 2.30 2.22 2.21 2.11 2.03 1.99 1.92 1.88 1.84 1.72 1.69 1.66 -1.53 1.47 -1.45 1.44 1.40 1.39 1.38 1.35 1.33 1.32 1.28 -1.21 1.10 1.10 2 3 3 2 3 3 1 3 3 2 3 1 2 2 2 3 1 1 1 2 2 2 1 1 1 1 2 1 1 1 2 3 1 S S S S S S P:x S S S S P:z S S S S P:z S S S S S P:y S P:y P:z S P:x P:x P:x S S S -5.836 1.301 1.301 -5.836 1.301 1.301 -5.426 1.301 1.301 -5.836 1.301 -5.426 -5.836 -5.836 -5.836 1.301 -5.426 -18.745 -18.745 16.011 -5.836 16.011 -5.426 -18.745 -5.426 -5.426 -5.836 -5.426 -5.426 -5.426 16.011 1.301 -18.745 2.00 0.00 0.00 2.00 0.00 0.00 0.67 0.00 0.00 2.00 0.00 0.67 2.00 2.00 2.00 0.00 0.67 2.00 2.00 0.00 2.00 0.00 0.67 2.00 0.67 0.67 2.00 0.67 0.67 0.67 0.00 0.00 2.00 10 10 5 5 3 9 66 6 8 6 7 70 9 3 7 4 64 57 56 56 8 57 69 55 73 68 4 72 61 62 55 2 54 W W W W W W C W W W W C W W W W C N N N W N C N C C W C C C N W N 0.040 0.00 318 A 4.51 3.96 3.96 3.88 3.60 3.26 3.03 2.95 2.93 2.93 1.58 1.55 1.30 1.15 1.09 1.09 1.08 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xy D:yz D:yz D:xy D:xy D:yz D:xy D:yz D:xy D:xy D:yz D:yz D:z2 D:z2 D:yz D:xy D:yz D:xz D:xy -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 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 13 11 12 12 10 13 4 10 2 11 9 7 2 4 5 3 2 4 5 W W W W W W W W W W W W W W W W W W W 0.052 0.00 319 A 3.89 3.20 3.16 3.14 2.96 2.81 2.59 2.59 2.35 2.13 2.07 1.95 1.67 1.51 1.42 1.33 1.30 1.21 1.18 1.12 1.12 1.05 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 D:xz D:xz D:xy D:xz D:xy D:xz D:xz D:xz D:yz D:xy D:xy D:xz D:yz D:xz D:xy D:xy D:x2-y2 D:xz D:yz D:x2-y2 D:yz S D:yz -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -5.836 -4.627 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 2.00 0.80 9 11 7 6 8 3 13 7 4 6 9 2 5 8 2 4 11 5 3 13 6 4 2 W W W W W W W W W W W W W W W W W W W W W W W 0.064 0.00 320 A 4.10 2.88 2.72 2.66 2.64 2.50 2.29 2.29 2.06 1.99 1.88 1.88 1.69 1.53 1.51 1.41 1.29 1.28 1.28 1.21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 D:xz D:xz D:yz D:yz D:yz D:yz D:xz D:xz D:yz D:xz D:yz D:xz D:xy D:xy D:x2-y2 D:xz D:xz S D:xy S -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -5.836 -4.627 -5.836 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 2.00 0.80 2.00 5 8 8 2 3 6 4 7 4 3 5 10 7 6 8 12 2 8 9 3 W W W W W W W W W W W W W W W W W W W W 0.098 0.00 321 A 6.48 6.12 4.60 3.29 2.64 2.54 2.36 1.78 1.59 1.56 1.52 1.52 1.50 1.45 1.42 1.31 1.31 1.19 1.15 1.05 1.05 1.02 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 D:xz D:xz D:yz D:xy D:yz D:x2-y2 D:xy D:x2-y2 D:xy D:xy D:yz P:x D:z2 D:yz D:x2-y2 P:x P:z P:z D:xz D:xz P:x P:z D:x2-y2 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -4.627 -9.204 -9.204 -9.204 -4.627 -4.627 -0.653 -9.204 -4.627 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 1.33 1.33 0.80 0.80 0.00 1.33 0.80 13 11 7 4 9 11 2 13 5 10 10 53 2 13 9 51 53 51 5 4 13 47 7 W W W W W W W W W W W O W W W O O O W W W O W 0.106 0.00 322 A 6.66 6.43 5.79 4.41 2.92 2.40 2.16 1.90 1.72 1.70 1.64 1.50 1.49 1.34 1.32 1.32 1.29 1.28 1.21 1.16 1.15 1.09 1.09 1.08 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 2 1 1 1 2 D:xz D:xz D:yz D:yz D:xy D:x2-y2 D:yz D:xz D:xy D:xz P:z D:x2-y2 D:yz P:x P:z D:x2-y2 D:x2-y2 D:z2 P:z P:x S P:z P:z P:y P:z P:z -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -4.627 -9.204 -9.204 -4.627 -4.627 -4.627 -9.204 -9.204 -24.141 -0.653 -9.204 -9.204 -9.204 -0.653 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 1.33 0.80 0.80 0.80 1.33 1.33 2.00 0.00 1.33 1.33 1.33 0.00 12 10 6 8 2 10 12 9 4 3 52 8 11 52 50 6 12 4 46 50 14 12 29 46 14 10 W W W W W W W W W W O W W O O W W W O O O W O O O W 0.114 0.00 323 A 7.09 6.16 4.90 4.39 2.92 2.83 2.48 2.06 1.93 1.72 1.64 1.62 1.49 1.46 1.31 1.27 1.21 1.20 1.17 1.11 1.08 1.04 1.04 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 D:xy D:xy D:yz D:yz D:xz D:z2 D:z2 D:xy P:y D:x2-y2 P:y D:yz D:xz D:xy P:y P:y D:yz P:x P:y P:y P:y S P:z P:y P:y -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -9.204 -4.627 -9.204 -4.627 -4.627 -4.627 -0.653 -9.204 -4.627 -9.204 -0.653 -9.204 -9.204 -24.141 -9.204 -9.204 -9.204 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 0.00 1.33 0.80 1.33 0.00 1.33 1.33 2.00 1.33 1.33 1.33 3 5 9 7 10 5 3 9 43 7 45 8 12 8 3 49 4 43 5 18 22 15 49 47 15 W W W W W W W W O W O W W W W O W O W O O O O O O 0.202 0.00 324 A 4.08 3.85 3.81 3.70 3.69 3.66 3.53 3.53 3.41 3.41 3.40 3.20 3.16 2.93 2.86 2.63 1.23 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 D:yz D:xz D:xz D:xz D:xy D:xz D:yz D:xz D:xy D:xz D:xy D:xz D:xy D:yz D:xz D:yz S S -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 1.301 -5.836 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 0.00 2.00 4 5 6 7 7 3 2 2 9 8 6 9 8 5 4 3 12 12 W W W W W W W W W W W W W W W W W W 0.220 0.00 325 A 5.78 5.31 5.21 5.12 4.93 4.65 4.39 4.28 1.84 1.75 1.61 1.57 1.54 1.49 1.24 1.24 1.20 1.15 1.11 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xy D:yz D:yz D:xy D:yz D:yz D:xy D:xy D:xy D:xy D:yz D:yz D:xz D:xz D:xz D:xy D:xz D:xz D:xz D:xz -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 -4.627 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 10 12 10 12 11 13 11 13 8 6 2 4 6 8 7 7 2 5 3 9 W W W W W W W W W W W W W W W W W W W W 0.247 0.00 326 A 7.85 6.48 5.04 -4.92 4.20 3.66 -3.43 3.12 3.03 2.72 2.63 2.55 2.52 2.51 2.42 -2.21 2.09 1.95 -1.89 -1.85 1.83 1.77 1.76 1.55 1.55 1.52 1.50 1.42 1.42 1.39 -1.39 -1.28 1.22 1.13 1.10 -1.02 1.01 1.01 3 2 1 2 3 2 2 1 1 3 3 1 1 2 2 2 3 1 2 2 1 1 2 1 2 3 2 2 2 3 1 2 1 1 2 2 1 2 S S S P:z S S S S P:z S S P:y P:x S S S S P:y S S P:z P:y S P:x S S S S S S P:z S P:x P:x S S P:z S 1.301 -5.836 -18.745 1.859 1.301 -5.836 16.011 -18.745 -5.426 1.301 1.301 -5.426 -5.426 -5.836 -5.836 16.011 1.301 -5.426 2.536 2.536 -5.426 -5.426 -5.836 -5.426 2.536 1.301 -5.836 2.536 -5.836 1.301 -4.152 2.536 -5.426 -5.426 2.536 2.536 -5.426 2.536 0.00 2.00 2.00 0.00 0.00 2.00 0.00 2.00 0.67 0.00 0.00 0.67 0.67 2.00 2.00 0.00 0.00 0.67 0.00 0.00 0.67 0.67 2.00 0.67 0.00 0.00 2.00 0.00 2.00 0.00 0.67 0.00 0.67 0.67 0.00 0.00 0.67 0.00 10 10 55 1 12 12 55 57 64 7 9 65 62 9 7 57 6 63 113 96 70 73 6 72 115 8 13 114 8 13 1 92 71 63 94 88 62 86 W W N Si W W N N C W W C C W W N W C H H C C W C H W W H W W Si H C C H H C H 0.267 0.00 327 A 4.94 4.69 4.55 4.52 4.46 -4.17 3.88 3.86 3.62 3.44 3.38 -2.82 -2.67 2.66 2.18 -2.14 2.12 2.07 2.07 1.81 1.76 1.47 1.37 1.35 1.33 1.30 -1.25 1.20 1.16 1.13 1.10 1.08 -1.06 -1.05 1.00 3 3 3 2 2 2 1 1 2 3 1 2 2 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 2 1 2 2 2 2 1 S S S S S P:x S S S S P:x S S S P:x S P:y P:z P:z S P:y P:z P:x P:z S S P:x P:y S P:y S S S S P:y 1.301 1.301 1.301 -5.836 -5.836 1.859 -18.745 -18.745 -5.836 1.301 -5.426 16.011 16.011 -5.836 -5.426 2.536 -5.426 -5.426 -5.426 2.536 -5.426 -5.426 -5.426 -5.426 -18.745 2.536 -4.152 -5.426 2.536 -5.426 2.536 -5.836 2.536 2.536 -5.426 0.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 2.00 0.00 0.67 0.00 0.00 2.00 0.67 0.00 0.67 0.67 0.67 0.00 0.67 0.67 0.67 0.67 2.00 0.00 0.67 0.67 0.00 0.67 0.00 2.00 0.00 0.00 0.67 5 13 11 11 13 1 54 56 5 3 66 56 54 3 61 83 69 60 68 84 59 67 58 70 57 85 1 58 95 67 97 2 98 96 73 W W W W W Si N N W W C N N W C H C C C H C C C C N H Si C H C H W H H C 0.398 0.00 328 A -13.09 8.75 8.18 7.81 7.43 7.40 7.29 7.04 6.50 6.23 6.20 6.02 5.57 5.43 5.21 -4.97 4.86 4.51 1.47 1.42 1.24 1.07 1.01 1.01 2 3 3 2 2 3 3 3 2 2 3 2 2 3 3 1 2 2 2 2 2 2 2 1 P:y S S S S S S S S S S S S S S P:y S S S S S S S S 1.859 1.301 1.301 -5.836 -5.836 1.301 1.301 1.301 -5.836 -5.836 1.301 -5.836 -5.836 1.301 1.301 -4.152 -5.836 -5.836 2.536 2.536 2.536 2.536 2.536 -18.745 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 0.67 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 1 6 9 6 9 5 4 7 4 5 2 2 7 3 8 1 3 8 87 104 105 85 93 56 Si W W W W W W W W W W W W W W Si W W H H H H H N 0.438 0.00 329 A 3.44 3.29 3.18 2.82 -2.24 -2.14 -2.05 1.88 1.88 -1.82 1.62 1.61 1.61 1.59 1.56 1.55 1.53 1.52 1.50 1.49 1.43 1.36 1.33 1.33 1.33 1.31 -1.26 1.23 1.23 -1.18 1.17 1.12 1.11 1.11 -1.09 -1.09 1.08 1.08 1.02 1.00 1 1 1 1 2 2 2 1 3 2 2 2 1 1 3 3 2 2 1 2 1 3 1 2 1 2 2 1 2 2 1 1 2 2 2 2 1 1 2 2 S S S S S S S P:y S S S S P:y P:y S S S S P:z S P:x S P:y S P:z S S P:x S S P:z P:x S S S S P:x P:x S S -18.745 -18.745 -18.745 -18.745 16.011 16.011 16.011 -5.426 1.301 16.011 -5.836 2.536 -5.426 -5.426 1.301 1.301 -5.836 2.536 -5.426 -5.836 -5.426 1.301 -5.426 2.536 -5.426 2.536 2.536 -5.426 -5.836 2.536 -5.426 -5.426 2.536 2.536 2.536 2.536 -5.426 -5.426 2.536 2.536 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.67 0.00 0.00 2.00 0.00 0.67 0.67 0.00 0.00 2.00 0.00 0.67 2.00 0.67 0.00 0.67 0.00 0.67 0.00 0.00 0.67 2.00 0.00 0.67 0.67 0.00 0.00 0.00 0.00 0.67 0.67 0.00 0.00 54 57 56 55 54 57 56 73 8 55 2 99 59 69 3 2 8 117 60 7 61 7 65 93 68 74 113 71 3 98 70 66 115 100 83 96 58 72 91 121 N N N N N N N C W N W H C C W W W H C W C W C H C H H C W H C C H H H H C C H H 0.524 0.00 330 A 3.61 3.20 2.62 2.61 2.56 2.49 2.31 2.21 2.21 -2.12 2.03 2.00 1.98 1.83 1.69 -1.67 1.65 1.61 1.61 1.60 1.56 1.53 1.50 1.49 1.44 1.41 1.39 1.38 1.37 1.32 1.31 1.24 1.21 1.20 1.18 1.17 1.17 -1.17 -1.15 1.14 1.12 1.09 1.09 1.04 1.03 1.03 1.02 2 1 2 2 2 1 2 2 2 2 2 3 2 2 1 2 2 2 2 2 3 2 3 3 1 2 1 1 2 1 1 2 1 1 1 1 2 2 2 1 2 1 3 2 2 2 2 S S S S S S S S S S S S S S P:y S S S S S S S S S P:z S P:z D:xz S D:xz P:x S S S S P:x S S S P:y S P:x S P:x S P:z S 2.536 -18.745 2.536 -5.836 2.536 -18.745 2.536 2.536 -5.836 16.011 2.536 1.301 2.536 2.536 -5.426 16.011 2.536 -5.836 -5.836 2.536 1.301 -5.836 1.301 1.301 -5.426 -5.836 -5.426 -4.627 -5.836 -4.627 -5.426 2.536 -6.626 -6.626 -6.626 -5.426 2.536 2.536 2.536 -5.426 2.536 -5.426 1.301 4.695 -5.836 4.695 -5.836 0.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.67 2.00 0.67 0.80 2.00 0.80 0.67 0.00 1.00 1.00 1.00 0.67 0.00 0.00 0.00 0.67 0.00 0.67 0.00 0.00 2.00 0.00 2.00 112 57 103 5 76 56 102 84 10 57 95 5 116 111 73 56 97 13 7 120 10 12 11 13 68 11 70 13 3 11 71 80 76 84 112 66 119 110 96 69 109 72 7 71 4 68 8 H N H W H N H H W N H W H H C N H W W H W W W W C W C W W W C H H H H C H H H C H C W C W C W 0.550 0.00 331 A 4.96 4.48 4.29 3.88 3.47 3.19 2.96 2.87 2.65 2.33 2.31 2.30 2.18 2.07 1.98 1.95 1.86 1.85 1.73 -1.61 1.60 1.58 1.56 1.50 -1.47 1.43 1.41 1.35 1.35 1.29 1.29 1.21 1.09 -1.06 1.04 1.02 2 2 2 3 2 2 1 2 2 2 2 3 2 1 2 3 1 1 1 2 3 2 2 2 2 2 3 1 2 1 2 1 3 2 2 2 S S S S S S S S S S S S S D:xz S S S S D:xz S S S S S S S S S S S S S S S S S 2.536 2.536 2.536 1.301 -5.836 -5.836 -6.626 -5.836 -5.836 2.536 2.536 1.301 2.536 -4.627 -5.836 1.301 -6.626 -6.626 -4.627 2.536 1.301 -5.836 -5.836 2.536 2.536 2.536 1.301 -6.626 -5.836 -6.626 2.536 -18.745 1.301 2.536 2.536 2.536 0.00 0.00 0.00 0.00 2.00 2.00 1.00 2.00 2.00 0.00 0.00 0.00 0.00 0.80 2.00 0.00 1.00 1.00 0.80 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 1.00 2.00 1.00 0.00 2.00 0.00 0.00 0.00 0.00 79 86 94 10 10 11 79 12 13 115 100 12 77 10 5 11 94 86 12 78 13 2 6 81 92 89 5 115 7 100 104 55 6 88 121 108 H H H W W W H W W H H W H W W W H H W H W W W H H H W H W H H N W H H H 0.627 0.00 332 A 7.38 6.21 6.11 5.95 5.43 4.91 4.89 4.76 4.52 4.32 3.61 3.24 2.98 2.79 2.70 -2.45 -2.40 2.36 2.33 2.28 2.21 2.01 1.86 1.84 1.64 1.38 -1.35 -1.29 -1.24 1.08 -1.04 2 2 2 2 3 3 2 3 3 2 2 2 1 1 1 2 2 2 1 1 1 1 1 2 1 1 2 2 2 2 2 S S S S S S S S S S S S S D:yz S P:y P:y S D:yz D:yz D:yz P:x S S S S P:y P:y P:y S S -5.836 -5.836 -5.836 -5.836 1.301 1.301 2.536 1.301 1.301 2.536 2.536 2.536 -6.626 -4.627 -6.626 4.695 4.695 2.536 -4.627 -4.627 -4.627 -4.152 -6.626 2.536 -6.626 -6.626 4.695 4.695 4.695 2.536 2.536 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.80 1.00 0.00 0.00 0.00 0.80 0.80 0.80 0.67 1.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 7 6 8 9 7 9 93 6 8 117 87 111 93 6 117 72 62 114 8 7 9 1 87 95 111 114 63 71 65 97 92 W W W W W W H W W H H H H W H C C H W W W Si H H H H C C C H H 0.641 0.00 333 A 7.25 6.47 5.87 5.29 4.68 4.32 3.93 3.87 3.44 3.22 3.18 2.95 2.85 2.77 2.36 2.13 1.81 1.62 1.54 -1.39 1.38 1.28 1.28 1.08 1.01 2 2 2 3 3 2 2 3 1 3 2 2 1 1 1 1 1 1 2 2 2 1 2 1 2 S S S S S S S S D:xy S S S D:xy S S P:z D:xy D:xy S P:y S S S S S -5.836 -5.836 -5.836 1.301 1.301 -5.836 2.536 1.301 -4.627 1.301 2.536 2.536 -4.627 -6.626 -6.626 -4.152 -4.627 -4.627 2.536 4.695 -5.836 -6.626 2.536 -6.626 2.536 2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.80 1.00 1.00 0.67 0.80 0.80 0.00 0.00 2.00 1.00 0.00 1.00 0.00 4 2 3 4 3 5 104 2 4 5 85 99 2 104 85 1 5 3 102 58 6 99 75 75 74 W W W W W W H W W W H H W H H Si W W H C W H H H H 0.751 0.00 334 A 7.14 4.79 4.69 4.44 4.38 4.35 4.33 3.90 3.08 3.07 -2.92 2.60 2.51 2.45 -2.25 2.11 2.02 2.00 1.92 -1.82 1.82 1.81 1.81 1.79 1.77 1.75 -1.73 1.68 1.67 1.60 1.59 1.58 1.44 1.43 -1.37 1.20 1.20 1.19 -1.19 1.16 1.16 1.14 1.14 -1.11 -1.06 -1.03 1.03 1.01 1.00 2 2 2 3 1 2 2 2 3 2 2 2 1 2 2 1 2 2 1 2 1 3 2 1 1 2 2 2 1 2 2 1 1 3 2 1 3 1 2 2 1 2 3 2 1 2 1 1 2 S S S S S S S S S S P:x S S S P:x S S S S P:x S S S S S S P:x S S S S S P:y S P:x P:y S S P:x S S S S S P:x S S P:x S 2.536 -5.836 -5.836 1.301 -6.626 2.536 2.536 2.536 1.301 2.536 1.859 -5.836 -6.626 2.536 4.695 -6.626 2.536 2.536 -6.626 4.695 -6.626 1.301 2.536 -18.745 -6.626 2.536 4.695 -5.836 -6.626 2.536 -5.836 -18.745 -5.426 1.301 4.695 -5.426 1.301 -6.626 4.695 -5.836 -6.626 2.536 1.301 16.011 -4.152 11.654 -6.626 -5.426 2.536 0.00 2.00 2.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 2.00 1.00 0.00 0.00 2.00 1.00 0.00 2.00 2.00 0.67 0.00 0.00 0.67 0.00 1.00 0.00 2.00 1.00 0.00 0.00 0.00 0.67 0.00 1.00 0.67 0.00 82 12 10 10 82 80 74 109 12 107 1 13 74 97 59 80 105 115 107 60 109 13 111 54 115 77 58 2 97 76 5 56 58 5 68 69 8 77 69 8 111 103 2 54 1 61 105 58 108 H W W W H H H H W H Si W H H C H H H H C H W H N H H C W H H W N C W C C W H C W H H W N Si C H C H 0.795 0.00 335 A 6.41 5.43 4.69 4.57 4.37 3.55 3.46 3.40 -3.24 3.23 3.12 2.73 2.72 2.64 2.33 -2.22 2.17 2.16 2.16 2.13 2.07 1.98 1.82 1.81 1.78 1.76 -1.67 1.66 1.65 1.63 1.57 1.54 -1.52 1.50 1.48 -1.47 1.42 1.39 -1.35 -1.34 1.34 -1.32 -1.26 1.25 1.23 -1.20 1.19 1.17 -1.12 1.10 -1.09 1.08 -1.05 1.04 1.02 1.01 2 2 2 3 2 2 2 2 2 3 1 2 1 1 2 2 2 2 2 2 2 1 2 1 1 1 2 2 2 1 3 1 2 3 2 2 2 1 2 2 1 2 2 1 1 1 2 2 2 1 2 2 2 1 3 1 S S S S S S S S P:z S S S S S S P:z S S S S S S S S S S P:z S S S S S P:z S S P:z S S P:z P:z P:y P:z S S S P:z S S S S P:z S P:z S S S -5.836 2.536 -5.836 1.301 2.536 2.536 2.536 2.536 1.859 1.301 -6.626 2.536 -6.626 -6.626 2.536 4.695 2.536 2.536 2.536 2.536 -5.836 -6.626 2.536 -18.745 -6.626 -6.626 4.695 -5.836 2.536 -6.626 1.301 -6.626 4.695 1.301 -5.836 4.695 2.536 -6.626 4.695 4.695 -5.426 4.695 11.654 -6.626 -6.626 -4.152 2.536 2.536 16.011 -6.626 4.695 2.536 4.695 -6.626 1.301 -13.915 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.00 0.00 2.00 1.00 1.00 0.00 2.00 0.00 1.00 0.00 1.00 0.00 0.00 2.00 0.00 0.00 1.00 0.00 0.00 0.67 0.00 0.00 1.00 1.00 0.67 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 2.00 11 90 13 11 89 120 84 79 1 13 90 91 84 79 100 58 104 121 87 119 7 120 81 55 89 100 63 12 108 81 7 104 59 10 10 65 76 91 73 71 65 61 64 87 119 1 110 77 55 108 62 116 72 110 12 64 W H W W H H H H Si W H H H H H C H H H H W H H N H H C W H H W H C W W C H H C C C C C H H Si H H N H C H C H W C 0.851 0.00 336 A -4.38 4.16 3.97 -3.46 -3.43 3.29 3.18 2.85 2.65 2.53 2.43 2.29 2.29 2.19 2.18 2.18 2.06 2.06 2.02 2.01 1.94 1.93 1.86 1.85 1.73 1.70 1.66 1.64 1.40 1.30 -1.30 1.27 1.22 1.21 1.15 1.15 1.07 1.07 -1.01 2 1 1 2 2 1 1 1 1 2 2 2 2 2 1 1 2 1 1 1 1 1 1 2 1 2 1 1 2 1 2 2 1 2 1 1 2 1 2 P:x S S P:x P:x S P:x S S S S S S S S S S P:x S S D:yz D:xz D:xz S S S P:x D:yz S D:yz P:x S P:x S D:xz S S D:xz P:y 4.695 -6.626 -6.626 4.695 4.695 -6.626 -5.426 -6.626 -6.626 2.536 2.536 -5.836 2.536 2.536 -6.626 -6.626 2.536 -5.426 -6.626 -6.626 -4.627 -4.627 -4.627 2.536 -6.626 2.536 -5.426 -4.627 2.536 -4.627 7.792 2.536 -7.230 2.536 -4.627 -6.626 -5.836 -4.627 4.695 0.00 1.00 1.00 0.00 0.00 1.00 0.67 1.00 1.00 0.00 0.00 2.00 0.00 0.00 1.00 1.00 0.00 0.67 1.00 1.00 0.80 0.80 0.80 0.00 1.00 0.00 0.67 0.80 0.00 0.80 0.00 0.00 1.00 0.00 0.80 1.00 2.00 0.80 0.00 65 86 94 64 63 89 62 93 82 82 86 13 109 74 87 74 94 63 109 91 7 13 11 93 90 91 65 6 90 8 55 107 55 87 12 105 4 10 60 C H H C C H C H H H H W H H H H H C H H W W W H H H C W H W N H N H W H W W C 0.873 0.00 337 A 8.11 7.84 7.80 7.54 6.05 5.38 5.10 4.91 -3.75 -3.65 -3.28 3.22 3.18 3.11 3.09 -2.71 -2.68 2.62 -2.40 2.34 2.17 -2.08 2.01 1.96 -1.95 1.93 1.92 1.75 1.74 1.70 1.69 1.68 1.67 -1.53 1.53 1.36 -1.34 -1.28 1.27 1.26 1.25 1.19 1.19 1.17 1.15 -1.15 1.14 1.02 -1.00 1 2 2 1 2 1 1 2 2 2 2 2 3 1 1 2 2 1 2 1 2 2 1 1 2 2 2 2 1 1 1 2 1 2 3 1 2 2 3 1 1 2 2 2 1 2 2 3 2 S S S S S S S S P:x P:y P:x S S S S P:x P:y S P:y P:x S P:z P:x S P:z S S S S S P:y S S P:z S S P:x P:x S S P:y S S S P:z P:x S S P:x -6.626 2.536 2.536 -6.626 2.536 -6.626 -6.626 2.536 4.695 4.695 4.695 -5.836 1.301 -6.626 -6.626 4.695 4.695 -6.626 4.695 -5.426 -5.836 4.695 -5.426 -6.626 4.695 2.536 2.536 -5.836 -6.626 -6.626 -5.426 -5.836 -6.626 4.695 1.301 -6.626 4.695 4.695 1.301 -6.626 -5.426 -5.836 2.536 2.536 -5.426 4.695 2.536 1.301 4.695 1.00 0.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 2.00 0.00 1.00 1.00 0.00 0.00 1.00 0.00 0.67 2.00 0.00 0.67 1.00 0.00 0.00 0.00 2.00 1.00 1.00 0.67 2.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.67 2.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 120 112 120 112 116 114 116 114 73 71 70 9 9 89 111 71 70 84 72 72 8 58 62 86 61 84 89 7 119 80 73 3 76 59 8 94 72 65 3 93 72 6 103 76 60 64 111 7 63 H H H H H H H H C C C W W H H C C H C C W C C H C H H W H H C W H C W H C C W H C W H H C C H W C 0.886 0.00 338 A 3.88 3.78 3.74 3.63 3.62 3.40 -3.18 2.93 -2.90 -2.90 2.76 2.58 2.55 2.53 2.45 2.43 2.26 2.25 -2.22 2.21 -2.10 2.02 2.01 1.96 1.88 -1.88 1.78 1.74 -1.72 1.64 1.63 1.61 -1.54 1.47 1.47 1.45 1.43 1.42 -1.32 -1.29 1.29 1.26 1.24 1.24 1.20 1.20 1.19 1.14 1.10 1.10 -1.09 1.08 -1.08 1.06 -1.05 1.04 1.03 1.02 1 1 2 1 2 1 2 2 2 2 2 2 1 2 1 1 1 1 2 1 2 2 2 2 1 2 1 2 2 1 1 1 2 1 2 1 2 1 2 2 2 2 1 2 2 1 1 1 2 1 2 2 2 1 2 1 3 1 S S S S S S P:y S P:y P:z S S S S S S S S P:x S P:z S S S D:xy P:x D:xy S P:y S S P:y P:y S S P:x S S P:y P:z S S P:z S S P:z S S S S P:z S P:x P:y P:z P:x S S -6.626 -6.626 2.536 -6.626 2.536 -6.626 4.695 2.536 4.695 4.695 2.536 2.536 -6.626 2.536 -6.626 -6.626 -6.626 -6.626 4.695 -6.626 4.695 2.536 2.536 2.536 -4.627 4.695 -4.627 2.536 4.695 -6.626 -6.626 -5.426 4.695 -6.626 -5.836 -5.426 2.536 -6.626 4.695 4.695 2.536 -5.836 -5.426 -5.836 2.536 -5.426 -6.626 -6.626 2.536 -6.626 4.695 2.536 4.695 -5.426 4.695 -5.426 1.301 -6.626 1.00 1.00 0.00 1.00 0.00 1.00 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 0.00 0.00 0.00 0.00 0.80 0.00 0.80 0.00 0.00 1.00 1.00 0.67 0.00 1.00 2.00 0.67 0.00 1.00 0.00 0.00 0.00 2.00 0.67 2.00 0.00 0.67 1.00 1.00 0.00 1.00 0.00 0.00 0.00 0.67 0.00 0.67 0.00 1.00 90 117 90 95 95 104 62 104 64 69 117 87 109 103 103 93 115 120 73 87 66 109 93 120 5 70 4 119 63 85 121 65 65 81 4 72 115 119 72 67 81 2 60 8 85 67 76 97 112 100 58 100 72 63 61 71 2 112 H H H H H H C H C C H H H H H H H H C H C H H H W C W H C H H C C H W C H H C C H W C W H C H H H H C H C C C C W H 0.909 0.00 339 A 5.85 5.66 4.89 4.61 4.57 3.89 -3.84 -3.72 -3.48 3.13 2.99 2.81 2.75 2.72 2.69 2.51 2.30 2.12 1.99 -1.99 1.74 -1.66 -1.65 1.64 1.48 1.40 1.32 1.28 1.25 -1.25 1.23 1.20 1.18 1.16 -1.16 1.15 1.15 -1.12 1.09 1.02 1.01 1.00 1 2 1 2 1 1 2 2 2 1 1 2 1 1 2 2 2 2 1 2 2 2 2 1 1 2 1 2 1 2 1 1 2 1 2 1 2 2 2 1 2 1 S S S S S S P:y P:y P:y S S S P:y D:xy S S S S D:xy P:y S P:y P:y S S S S S P:x P:x S S S S P:x D:xy S P:y S P:y S S -6.626 2.536 -6.626 2.536 -6.626 -6.626 4.695 4.695 4.695 -6.626 -6.626 2.536 -5.426 -4.627 2.536 2.536 2.536 2.536 -4.627 4.695 2.536 4.695 4.695 -6.626 -6.626 -5.836 -6.626 -5.836 -5.426 4.695 -6.626 -6.626 -5.836 -6.626 4.695 -4.627 2.536 4.695 2.536 -5.426 2.536 -6.626 1.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 1.00 1.00 0.00 0.67 0.80 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 1.00 1.00 2.00 1.00 2.00 0.67 0.00 1.00 1.00 2.00 1.00 0.00 0.80 0.00 0.00 0.00 0.67 0.00 1.00 99 89 89 99 107 102 66 67 68 95 87 107 69 3 102 95 94 91 2 63 87 62 64 94 108 6 91 2 62 64 100 103 3 86 63 4 86 69 74 68 114 114 H H H H H H C C C H H H C W H H H H W C H C C H H W H W C C H H W H C W H C H C H H 0.924 0.00 340 A 6.10 -5.72 5.70 -5.68 4.99 4.93 4.71 4.62 4.43 4.21 3.77 3.74 -3.70 3.32 3.13 3.09 2.70 2.66 2.49 2.47 2.41 2.32 2.31 -2.15 1.94 1.91 1.88 -1.86 -1.86 1.79 1.71 1.69 1.55 1.47 -1.42 -1.37 1.31 -1.30 1.24 -1.24 1.19 1.19 1.16 1.15 1.13 1.10 -1.08 1.06 -1.01 1 2 1 2 1 1 2 2 1 1 1 2 2 2 1 2 1 1 1 1 1 1 2 2 2 1 1 2 2 1 2 2 1 2 2 2 2 2 1 2 1 1 2 1 1 2 2 2 2 S P:y S P:y S S S S S S P:y S P:y S S S S S S S P:y P:z S P:z S S S P:y P:z S S S S S P:z P:y S P:y S P:y P:x P:y S S P:y S P:x S P:x -6.626 4.695 -6.626 4.695 -6.626 -6.626 2.536 2.536 -6.626 -6.626 -5.426 2.536 4.695 2.536 -6.626 2.536 -6.626 -6.626 -6.626 -6.626 -5.426 -5.426 2.536 4.695 2.536 -6.626 -6.626 4.695 4.695 -6.626 -5.836 2.536 -6.626 2.536 4.695 4.695 2.536 7.792 -6.626 4.695 -5.426 -5.426 2.536 -6.626 -5.426 -5.836 4.695 2.536 4.695 1.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 1.00 1.00 0.67 0.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 1.00 0.67 0.67 0.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 2.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.67 0.67 0.00 1.00 0.67 2.00 0.00 0.00 0.00 103 68 99 66 109 107 99 103 80 102 69 109 67 80 105 105 120 76 111 84 67 60 107 61 102 112 74 69 59 119 2 84 116 76 58 71 111 56 97 70 72 73 120 91 68 4 70 97 73 H C H C H H H H H H C H C H H H H H H H C C H C H H H C C H W H H H C C H N H C C C H H C W C H C 0.942 0.00 341 A 11.95 8.31 7.71 -7.25 6.80 -5.98 5.58 5.52 3.70 3.60 3.49 3.44 3.15 2.86 -2.86 -2.64 2.45 2.36 2.22 2.14 2.09 1.68 -1.67 1.56 -1.52 -1.47 -1.41 1.39 -1.38 -1.33 -1.32 1.30 1.28 1.24 1.23 1.20 1.13 1.12 1.10 1.09 1.08 1 2 1 2 1 2 1 1 2 1 1 2 2 2 2 2 1 1 2 1 2 1 2 1 2 2 2 2 2 2 2 1 2 2 1 2 1 2 1 2 1 S S S P:y S P:y S P:y S P:y S S S S P:y P:y S S S S S S P:x S P:y P:z P:x S P:x P:x P:x S S S P:y S S S P:y S D:xy -6.626 2.536 -6.626 4.695 -6.626 4.695 -6.626 -5.426 2.536 -5.426 -6.626 2.536 2.536 2.536 4.695 4.695 -6.626 -6.626 2.536 -6.626 2.536 -6.626 4.695 -6.626 7.792 4.695 4.695 2.536 4.695 4.695 4.695 -6.626 2.536 2.536 -7.230 2.536 -6.626 2.536 -5.426 2.536 -4.627 1.00 0.00 1.00 0.00 1.00 0.00 1.00 0.67 0.00 0.67 1.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 0.67 0.00 0.80 77 77 82 61 81 60 74 59 81 58 85 82 74 85 59 58 115 79 115 86 86 121 64 76 54 59 63 76 65 73 70 94 80 91 54 121 117 97 60 94 2 H H H C H C H C H C H H H H C C H H H H H H C H N C C H C C C H H H N H H H C H W 0.956 0.00 342 A 8.91 6.34 5.77 5.24 -5.15 4.77 -4.17 4.10 3.79 3.61 3.59 3.51 3.04 2.95 2.82 -2.65 2.48 2.48 2.46 -2.45 2.39 -2.35 2.25 2.18 2.04 -2.02 1.93 -1.92 1.90 1.89 -1.81 1.78 1.63 1.60 1.58 1.57 1.53 1.53 -1.43 -1.40 1.37 -1.35 1.35 -1.32 -1.31 1.31 1.20 1.19 1.11 1.10 1.10 1.09 -1.04 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 2 1 2 2 2 2 2 2 2 2 2 1 2 2 1 2 1 1 2 2 2 1 1 2 2 1 2 1 2 2 2 1 1 2 1 2 1 2 S S S S P:z P:z P:z S S S S S S S S P:x P:z S S P:y S P:x S S S P:y S P:z S S P:z S S S S S S P:x P:y P:z P:x P:y S P:y P:z S P:z S S P:y S P:z P:x -6.626 2.536 -6.626 -6.626 4.695 -5.426 4.695 -6.626 2.536 -6.626 -6.626 -6.626 -6.626 -6.626 -6.626 4.695 -5.426 2.536 2.536 4.695 2.536 4.695 2.536 2.536 2.536 4.695 -6.626 4.695 2.536 -6.626 4.695 -6.626 -6.626 2.536 2.536 2.536 -6.626 -5.426 4.695 4.695 -5.426 4.695 -6.626 4.695 7.792 2.536 -7.230 -6.626 2.536 -5.426 -5.836 -5.426 4.695 1.00 0.00 1.00 1.00 0.00 0.67 0.00 1.00 0.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 1.00 0.67 0.00 0.00 0.67 0.00 1.00 0.00 0.00 0.00 1.00 1.00 0.00 0.67 2.00 0.67 0.00 105 105 108 109 66 68 69 103 108 91 93 97 89 80 100 64 67 80 100 68 97 65 103 107 89 66 94 67 93 102 68 104 107 109 102 91 76 62 64 61 63 62 86 69 56 86 56 84 76 63 4 60 62 H H H H C C C H H H H H H H H C C H H C H C H H H C H C H H C H H H H H H C C C C C H C N H N H H C W C C 0.977 0.00 343 A 6.72 -5.57 5.02 4.96 4.72 4.58 -4.26 3.85 3.72 3.56 2.72 2.54 2.34 2.20 2.16 2.10 1.99 1.99 1.81 1.79 1.72 -1.71 -1.63 1.55 1.43 -1.41 -1.41 -1.35 1.34 1.31 1.31 1.27 1.25 1.23 1.17 1.16 1.14 1.13 -1.06 1.06 1.04 1.03 1.03 1.00 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 1 2 1 1 2 1 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 2 2 2 1 1 2 1 S P:y S S P:y S P:y S P:y S S S S S P:y S S P:y S S S P:y P:y S S P:y P:y P:x S S P:y P:y P:y D:yz S S P:x S P:y S S S S S -6.626 4.695 -6.626 -6.626 -5.426 -6.626 4.695 -6.626 -5.426 -6.626 -6.626 2.536 -6.626 2.536 -5.426 -6.626 2.536 -7.230 -6.626 2.536 -6.626 4.695 4.695 2.536 2.536 4.695 7.792 4.695 2.536 -6.626 -5.426 -5.426 -5.426 -4.627 -6.626 -6.626 -5.426 2.536 4.695 2.536 -6.626 -6.626 2.536 -6.626 1.00 0.00 1.00 1.00 0.67 1.00 0.00 1.00 0.67 1.00 1.00 0.00 1.00 0.00 0.67 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 1.00 0.67 0.67 0.67 0.80 1.00 1.00 0.67 0.00 0.00 0.00 1.00 1.00 0.00 1.00 90 64 97 91 65 95 62 115 63 121 87 90 119 115 73 80 91 55 74 97 93 63 70 80 121 72 55 70 95 114 62 64 71 6 117 104 71 74 65 104 111 100 87 107 H C H H C H C H C H H H H H C H H N H H H C C H H C N C H H C C C W H H C H C H H H H H 1.003 0.00 344 A 5.46 5.31 4.50 4.15 3.24 2.83 2.77 -2.44 2.44 2.33 2.31 2.22 2.18 1.91 -1.87 1.86 1.69 -1.67 1.63 -1.61 1.57 1.54 1.53 1.49 1.39 1.35 -1.35 -1.35 1.33 1.29 -1.22 1.17 1.14 1.11 1.07 1.06 1.00 2 1 1 1 1 2 1 2 2 1 2 1 1 1 2 1 2 2 1 2 1 1 1 2 1 1 2 2 1 1 2 1 2 1 2 1 2 S S S S S S D:yz P:x S D:yz S D:xy S S P:x S S P:x S P:y S S D:yz S D:xy P:x P:y P:y P:x P:y P:y S S D:yz S S S 2.536 -6.626 -6.626 -6.626 -6.626 2.536 -4.627 4.695 2.536 -4.627 2.536 -4.627 -6.626 -6.626 4.695 -6.626 2.536 4.695 -6.626 4.695 -6.626 -6.626 -4.627 2.536 -4.627 -5.426 4.695 4.695 -5.426 -5.426 4.695 -6.626 2.536 -4.627 2.536 -6.626 -5.836 0.00 1.00 1.00 1.00 1.00 0.00 0.80 0.00 0.00 0.80 0.00 0.80 1.00 1.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 1.00 0.80 0.00 0.80 0.67 0.00 0.00 0.67 0.67 0.00 1.00 0.00 0.80 0.00 1.00 2.00 119 119 116 81 112 81 9 70 116 8 121 3 121 111 71 77 107 73 85 70 89 107 7 111 5 72 61 71 71 59 60 120 89 6 85 84 9 H H H H H H W C H W H W H H C H H C H C H H W H W C C C C C C H H W H H W 1.014 0.00 345 A 7.50 6.22 5.92 5.52 4.19 3.59 3.53 -2.94 2.55 2.43 2.40 -2.31 -2.30 2.29 2.28 1.87 1.85 1.56 -1.55 1.54 1.51 1.51 1.47 1.43 1.41 -1.37 1.32 -1.32 1.30 1.27 1.26 1.25 -1.23 1.18 1.18 1.17 1.16 1.06 1.03 1.02 1.00 1 2 1 2 1 1 2 2 1 1 2 2 2 1 1 1 1 1 2 2 1 1 2 2 2 2 1 2 2 3 1 3 2 3 1 2 1 2 2 1 2 S S S S S S S P:z S S S P:z P:z P:x S D:yz D:xz S P:x S P:y S S S S P:x D:xz P:x S S S S P:y S P:x S P:x S S S S -6.626 2.536 -6.626 2.536 -6.626 -6.626 2.536 4.695 -6.626 -6.626 2.536 4.695 4.695 -5.426 -6.626 -4.627 -4.627 -6.626 4.695 -5.836 -5.426 -6.626 2.536 -5.836 2.536 4.695 -4.627 4.695 2.536 1.301 -6.626 1.301 4.695 1.301 -5.426 -5.836 -7.230 2.536 2.536 -6.626 2.536 1.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.67 1.00 0.80 0.80 1.00 0.00 2.00 0.67 1.00 0.00 2.00 0.00 0.00 0.80 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.67 2.00 1.00 0.00 0.00 1.00 0.00 121 121 100 100 108 102 108 66 114 107 102 67 69 71 117 7 10 116 70 8 69 94 114 3 117 64 12 73 94 8 89 3 66 9 72 9 57 104 105 104 103 H H H H H H H C H H H C C C H W W H C W C H H W H C W C H W H W C W C W N H H H H 1.058 0.00 346 A 5.21 4.25 3.81 2.86 2.74 2.60 2.51 2.35 2.31 2.30 2.14 2.14 2.03 2.03 -2.02 1.90 1.87 1.87 1.84 1.73 1.72 1.51 1.49 1.44 1.44 1.42 1.27 1.24 1.22 1.20 -1.20 1.16 -1.13 1 2 1 2 1 1 2 1 3 2 1 1 2 1 2 1 1 1 1 1 2 1 1 2 2 3 2 1 1 2 2 1 2 S S S S D:xy S S S S S S D:xz S S P:z S S S P:z S S P:z S S S S S S P:x S S P:z P:z -6.626 2.536 -6.626 2.536 -4.627 -6.626 2.536 -6.626 1.301 -5.836 -6.626 -4.627 2.536 -6.626 4.695 -6.626 -6.626 -6.626 -5.426 -6.626 2.536 -5.426 -6.626 -5.836 -5.836 1.301 2.536 -6.626 -7.230 2.536 11.654 -7.230 4.695 1.00 0.00 1.00 0.00 0.80 1.00 0.00 1.00 0.00 2.00 1.00 0.80 0.00 1.00 0.00 1.00 1.00 1.00 0.67 1.00 0.00 0.67 1.00 2.00 2.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 0.00 108 108 81 91 5 91 81 99 3 4 115 11 115 119 61 105 85 80 68 76 107 60 84 9 3 4 99 111 56 119 66 56 58 H H H H W H H H W W H W H H C H H H C H H C H W W W H H N H C N C 1.071 0.00 347 A 4.02 3.32 2.87 2.69 2.66 2.32 2.32 2.27 2.24 2.21 2.13 2.09 2.02 1.94 1.91 1.85 1.67 1.61 1.55 1.53 1.44 1.33 1.33 1.30 1.30 1.27 1.19 -1.13 1.12 1.08 1.04 1.04 -1.04 1.03 1.02 2 1 2 1 3 1 1 2 1 1 1 1 2 2 1 1 2 2 1 1 2 1 1 2 1 1 1 2 2 1 2 1 2 1 3 S S S S S S S S P:y P:y S S S S S S S S P:y P:y S S S S S P:y D:yz S S S S S S S S -5.836 -6.626 2.536 -6.626 1.301 -6.626 -6.626 2.536 -7.230 -5.426 -6.626 -6.626 -5.836 2.536 -6.626 -6.626 -5.836 2.536 -7.230 -7.230 2.536 -6.626 -6.626 2.536 -6.626 -5.426 -4.627 11.654 2.536 -13.915 2.536 -6.626 11.654 -6.626 1.301 2.00 1.00 0.00 1.00 0.00 1.00 1.00 0.00 1.00 0.67 1.00 1.00 2.00 0.00 1.00 1.00 2.00 0.00 1.00 1.00 0.00 1.00 1.00 0.00 1.00 0.67 0.80 0.00 0.00 2.00 0.00 1.00 0.00 1.00 0.00 4 121 105 86 4 115 116 116 57 73 90 105 2 86 108 85 8 85 55 56 108 92 119 121 100 71 6 73 87 73 79 114 69 97 8 W H H H W H H H N C H H W H H H W H N N H H H H H C W C H C H H C H W