AMS 2021.106 r99350 2021-12-03 2024-03-11T10:37:09.000 GEOMETRY OPTIMIZATION DFT PBE0 == Not Default == 2647.734464 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Restricted Restricted 0.00000 1.0E-08 1000 conjugate-gradient 37.50000 2.76000 1 3 2415.30289062 7182.07493311 Acetonitrile DFT Restricted Restricted Point Charge Nuclei Frozen Orbital(s) Task GeometryOptimization System Atoms W 1.959212653933277 -0.3198814714100235 2.396360875462103 adf.R=1.992 W -2.657025404120942 -0.1440671284064553 2.012600937149768 adf.R=1.992 W 2.289963714316879 0.00718474323716817 -1.364686083466167 adf.R=1.992 W -2.321130128726687 0.1800511541494919 -1.750014685887297 adf.R=1.992 W -0.2784966245632531 2.079455263167564 2.387332833130982 adf.R=1.992 W -0.4183113495847778 -2.543226678658617 2.020303249196201 adf.R=1.992 W 0.057621538666078 2.407400930052945 -1.374234579180262 adf.R=1.992 W -0.08923027183206206 -2.216661426493726 -1.743615173251269 adf.R=1.992 W -0.5508861024533316 -0.4116925444588794 4.524935572563376 adf.R=1.992 W 0.1878371873278331 0.2742542208931296 -3.881010802140157 adf.R=1.992 O -0.355661606120019 -0.2338966990868909 2.254463421842315 adf.R=1.517 O -0.009469292820170873 0.09472547095290337 -1.608303417199661 adf.R=1.517 O 1.562753241993267 1.552019110224854 2.505355034997378 adf.R=1.517 O -2.148371215627744 1.694066504619853 2.194183831076096 adf.R=1.517 O 1.449395446143114 -2.158916884908843 2.180379073790667 adf.R=1.517 O -2.260395177257149 -2.015930899512232 1.856835427198687 adf.R=1.517 O 1.896617266327986 1.880120211085537 -1.216182009288007 adf.R=1.517 O -1.815374381409032 2.025216080977213 -1.538515971020404 adf.R=1.517 O 1.786542738979668 -1.836389693321969 -1.54851811884875 adf.R=1.517 O -1.928757040407485 -1.692014089842948 -1.868666122870557 adf.R=1.517 O -0.4581634952256831 1.467418215871151 4.237181285979485 adf.R=1.517 O -0.5770081798197128 -2.244691244867786 3.914633711000185 adf.R=1.517 O 0.2134739319338977 2.107227675283927 -3.268662870461078 adf.R=1.517 O 0.09656286600315718 -1.604864375808133 -3.593410686306414 adf.R=1.517 O -0.1177281681572774 2.153824139658205 0.5112669998637294 adf.R=1.517 O -0.2501651331286153 -2.293160548922362 0.1295190429683019 adf.R=1.517 O 1.340434689531467 -0.4663721421468895 4.232739100855211 adf.R=1.517 O -2.372243772924229 -0.3267836768047349 3.917713835721462 adf.R=1.517 O 2.008100022291772 0.187701680931651 -3.271231499436334 adf.R=1.517 O -1.70139476987107 0.3297919957986528 -3.58839723730021 adf.R=1.517 O 2.032782918324358 -0.155385058029717 0.5092406170666509 adf.R=1.517 O -2.400486173352223 0.01916409950010465 0.1323028396956993 adf.R=1.517 O 3.626848820172223 -0.39812439921214 2.740201555234596 adf.R=1.517 O -4.361839900451537 -0.1104238747451644 2.063263254157425 adf.R=1.517 O 3.995186727687397 -0.0398368230307506 -1.41440836257403 adf.R=1.517 O -3.986563946814707 0.2746927852352334 -2.101384326848567 adf.R=1.517 O -0.7019944633958028 -0.5591515827404326 6.226167476213521 adf.R=1.517 O 0.3405628558695742 0.4226521643710286 -5.581991554669125 adf.R=1.517 O -0.2443117446274633 3.745048257937994 2.750386531866744 adf.R=1.517 O -0.4979200463862059 -4.245271951674932 2.06291981717333 adf.R=1.517 O 0.121739215012841 4.110658463791466 -1.416916772394924 adf.R=1.517 O -0.112261318577816 -3.882323262482576 -2.108429641147295 adf.R=1.517 H 4.552414614390683 -6.615291442608904 -0.1527771259372637 adf.R=1.350 H 5.844087167816538 -5.489254831837574 0.3451841693081452 adf.R=1.350 N 4.306189248922734 -4.628968846374357 -0.8072950574536332 adf.R=1.608 C 3.390639342507424 -5.009080909750336 -1.920624956777927 adf.R=1.700 H 2.891422479287431 -5.0910113632537 0.6819753730311094 adf.R=1.350 H 5.75737727403167 -6.057275320728278 -1.344805859128806 adf.R=1.350 C 5.150510668085651 -3.476760052836458 -1.231449527883386 adf.R=1.700 C 3.50198478092501 -4.241129722082873 0.386211554132205 adf.R=1.700 C 5.181124211791877 -5.784996232935867 -0.4641204627666907 adf.R=1.700 H 2.746508738200927 -4.161030834593112 -2.141021094801528 adf.R=1.350 H 3.990548110765428 -5.269044457411137 -2.789044433843969 adf.R=1.350 H 2.79764987597374 -5.863382937106654 -1.603387757388566 adf.R=1.350 H 5.812421190739657 -3.212598525210133 -0.4103565414188301 adf.R=1.350 H 4.50034907183204 -2.640811946271227 -1.478333397640341 adf.R=1.350 H 5.730630072922483 -3.77437160983972 -2.10127998454946 adf.R=1.350 H 4.183517259023969 -3.974042851885059 1.190352508595207 adf.R=1.350 H 2.873703019644871 -3.393318502901971 0.1225233202731956 adf.R=1.350 N -4.501711869702962 4.651314690282652 -0.6654702576258605 adf.R=1.608 C -4.928477276094363 3.79744285608048 -1.81007691662738 adf.R=1.700 C -3.336789956617968 5.484361014079835 -1.077003896428606 adf.R=1.700 C -5.62837713615721 5.537151404521617 -0.2584494106694402 adf.R=1.700 C -4.109086948220832 3.784373744782693 0.4812497788707091 adf.R=1.700 H -5.208120742480829 4.443563356280421 -2.638331679425135 adf.R=1.350 H -4.095967564302514 3.156595258218776 -2.090765551673706 adf.R=1.350 H -5.779638419826252 3.198726019487306 -1.495506976484598 adf.R=1.350 H -3.04019136815439 6.10498634085518 -0.2349950268246516 adf.R=1.350 H -3.635405397070285 6.106776577620781 -1.916637566827835 adf.R=1.350 H -2.522341823414626 4.824264861937185 -1.367009127443352 adf.R=1.350 H -5.30160263048539 6.151530130779741 0.5767077214225276 adf.R=1.350 H -5.900780978697409 6.162956289377312 -1.104572303637614 adf.R=1.350 H -6.468991244302945 4.91448602002162 0.03717703035633317 adf.R=1.350 H -3.292069299347058 3.139374177423964 0.1660947619234202 adf.R=1.350 H -4.97089244156876 3.190360202563451 0.7766745545577399 adf.R=1.350 H -3.795110650653668 4.420875363756113 1.30503591609311 adf.R=1.350 N -4.916995326208516 -4.528498401316197 0.7347032669470521 adf.R=1.608 C -5.788727965871632 -5.648364299566454 0.2818286457760546 adf.R=1.700 C -4.027868176625277 -4.105825254181415 -0.3844250882868929 adf.R=1.700 C -5.764676446977441 -3.377613783197795 1.155915569492337 adf.R=1.700 C -4.087307731630362 -4.9805976026708 1.887520784442647 adf.R=1.700 H -6.387791740756167 -5.304404995635369 -0.5575504632897457 adf.R=1.350 H -5.156158276508283 -6.478939994444227 -0.02104798674785173 adf.R=1.350 H -6.430220862965073 -5.943992570953356 1.108191445159733 adf.R=1.350 H -3.397279933525104 -3.288968541582601 -0.03956913652314917 adf.R=1.350 H -4.649388356751121 -3.781603234527009 -1.215565962043375 adf.R=1.350 H -3.420138305740711 -4.956949750201343 -0.6824663780833551 adf.R=1.350 H -5.116674402214243 -2.568649906200011 1.48604366070062 adf.R=1.350 H -6.364517255152495 -3.06030854994774 0.306581694176136 adf.R=1.350 H -6.406916165833571 -3.701327442948128 1.971062094533093 adf.R=1.350 H -3.480863369161361 -5.823840364868727 1.566584047240952 adf.R=1.350 H -4.751482564974406 -5.279966133431763 2.694449253219585 adf.R=1.350 H -3.454819067262001 -4.153474382462547 2.200697456182768 adf.R=1.350 N 4.932158343760952 4.014337776283007 0.4759727297522251 adf.R=1.608 C 4.088526606505088 4.427307303684433 -0.6815315108549713 adf.R=1.700 C 5.943293742465225 5.072060600347114 0.7574768879454834 adf.R=1.700 C 4.069640308495628 3.820864857051901 1.676067461936497 adf.R=1.700 C 5.629928044968662 2.738605524784106 0.1511598788695383 adf.R=1.700 H 3.584114841061063 5.355872208815116 -0.4262386129519495 adf.R=1.350 H 4.73471584462165 4.575676514681202 -1.543076566439266 adf.R=1.350 H 3.365388873823446 3.638529479442931 -0.8789206608925756 adf.R=1.350 H 6.548340109714868 4.757296136018034 1.603901813984448 adf.R=1.350 H 5.422042544932029 5.997599901080893 0.9892156082259426 adf.R=1.350 H 6.565075351642079 5.199319402672266 -0.1251779731488983 adf.R=1.350 H 4.698698873395742 3.516318336825929 2.509087646682346 adf.R=1.350 H 3.579939157888148 4.764689947713412 1.9036663300894 adf.R=1.350 H 3.327275503058341 3.053609125935887 1.464074385837689 adf.R=1.350 H 6.266955032890485 2.903689477670128 -0.7143610441256527 adf.R=1.350 H 4.886631000648028 1.976945000400979 -0.07302374905518093 adf.R=1.350 H 6.230237985594273 2.443425756660804 1.008034441412474 adf.R=1.350 End BondOrders 1 11 1.0 1 13 1.0 1 15 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A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A -32.95429051 -896.732348 0 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O O O O O O O O O O O O O O O O O O O O -26.281 2.00 412 A 16.77 15.98 14.86 14.27 3.98 3.84 3.15 3.12 2.37 2.30 2.02 1.99 1.93 1.24 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 27 30 28 29 21 24 22 23 16 17 13 20 35 34 O O O O O O O O O O O O O O -26.278 2.00 413 A 15.79 15.58 15.44 15.04 4.35 4.09 2.94 2.83 2.26 2.22 2.13 2.07 2.05 1.12 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 21 22 24 23 28 29 27 30 14 15 19 18 41 40 O O O O O O O O O O O O O O -26.179 2.00 414 A 41.58 32.50 2.60 2.56 2.53 2.16 2.07 1.28 1.17 1.16 2 2 2 3 2 2 3 2 2 2 S S S D:x2-y2 S S D:x2-y2 S S S -27.198 -27.198 -27.198 -4.382 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O O O O O W W O O O W O -26.120 2.00 419 A 14.36 11.76 11.43 10.82 9.88 8.41 7.39 2.76 2.64 2.46 1.97 1.59 1.57 1.54 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 16 15 14 33 40 13 42 20 18 34 39 41 17 19 O O O O O O O O O O O O O O -26.112 2.00 420 A 29.08 10.73 10.72 9.53 5.68 4.99 4.27 2.88 2.29 2.11 2.01 1.37 2 2 2 2 2 2 2 2 2 2 3 2 S S S S S S S S S S D:x2-y2 S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 33 13 34 14 42 15 16 40 36 27 1 32 O O O O O O O O O O W O -26.109 2.00 421 A 33.93 20.48 5.55 3.69 3.45 3.43 3.04 3.03 2.30 2.20 2.02 1.79 1.53 1.47 1.01 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 S S S S S S S S S D:x2-y2 S S D:x2-y2 S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 -27.198 -4.382 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 2.00 2.00 39 40 36 21 15 13 42 26 32 5 31 24 6 25 41 O O O O O O O O O W O O W O O -26.083 2.00 422 A 22.67 18.63 6.64 6.53 6.24 6.10 4.76 4.00 2.42 2.32 2.31 2.26 1.38 1.33 1.17 1.08 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 S S S S S S S S S S S S D:x2-y2 S S D:x2-y2 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 -27.198 -4.382 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 39 33 25 31 32 26 42 36 23 29 22 28 5 30 24 1 O O O O O O O O O O O O W O O W -25.979 2.00 423 A 43.06 21.44 4.31 4.23 3.95 2.40 2.25 2.14 1.97 1.95 1.40 1.25 1.15 1.14 2 2 2 3 2 2 2 2 3 2 2 2 2 2 S S S D:z2 S S S S D:z2 S S S S S -27.198 -27.198 -27.198 -4.382 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 38 37 42 10 36 41 35 39 9 33 12 40 23 34 O O O W O O O O W O O O O O -25.954 2.00 424 A 41.96 19.70 4.40 3.89 3.57 2.51 2.26 2.20 1.86 1.70 1.13 1.08 1.04 1.02 2 2 3 2 2 2 2 3 2 2 2 2 2 2 S S D:z2 S S S S D:z2 S S S S S S -27.198 -27.198 -4.382 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 0.80 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 37 38 9 39 33 40 34 10 42 36 41 11 35 26 O O W O O O O W O O O O O O -25.873 2.00 425 A 16.36 16.00 15.82 15.76 14.92 14.27 2 2 2 2 2 2 S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 31 30 32 27 29 28 O O O O O O -25.872 2.00 426 A 16.10 16.09 16.02 15.87 14.23 14.18 2 2 2 2 2 2 S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 21 24 25 26 23 22 O O O O O O -25.463 2.00 427 A 45.43 17.59 7.85 7.62 6.76 6.75 1.14 2 2 2 2 2 2 2 S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 12 38 42 36 35 41 11 O O O O O O O -25.435 2.00 428 A 46.09 16.66 7.83 7.59 6.96 6.90 1.22 2 2 2 2 2 2 2 S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 11 37 39 33 40 34 12 O O O O O O O -21.308 2.00 429 A 22.04 21.36 11.09 7.58 6.57 4.82 4.67 3.75 3.09 2.32 1.98 1.35 -1.30 1.12 -1.11 -1.04 1 2 2 1 1 1 1 2 1 1 1 1 2 1 2 2 P:y S S S S S S S S S S P:x P:y S P:y P:y -7.353 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -7.353 5.519 -6.581 5.519 8.878 1.00 2.00 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 93 103 105 68 69 67 73 104 74 70 75 93 106 71 104 93 N C C H H H H C H H H N C H C N -21.308 2.00 430 A 21.68 20.53 15.10 7.74 5.59 5.58 4.93 3.90 3.47 1.36 -1.28 -1.23 1.04 1 2 2 1 1 1 1 1 1 1 2 2 1 P:x S S S S S S S S P:z P:x P:x S -7.353 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 5.519 5.519 -6.581 1.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 0.00 1.00 92 101 100 63 62 60 61 58 59 92 99 102 64 N C C H H H H H H N C C H -21.308 2.00 431 A 24.08 19.09 7.80 7.71 6.34 6.23 5.84 4.30 3.53 3.20 1.65 1.55 -1.11 2 1 1 1 2 2 1 1 1 1 1 1 2 S P:y S S S S S P:x S S S S P:y -15.871 -7.353 -6.581 -6.581 -15.871 -15.871 -6.581 -7.353 -6.581 -6.581 -6.581 -6.581 5.519 2.00 1.00 1.00 1.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 108 94 84 83 109 110 82 94 89 87 85 90 107 C N H H C C H N H H H H C -21.306 2.00 432 A 24.35 20.53 10.01 8.32 7.00 6.23 4.50 2.29 1.97 1.86 1.86 1.73 -1.20 -1.10 1.08 1.05 2 1 2 1 1 1 1 1 1 2 1 1 2 2 1 1 S P:y S S S S S S S S P:x S P:y P:y P:z S -15.871 -7.353 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 -7.353 -6.581 5.519 5.519 -7.353 -6.581 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 0.00 0.00 1.00 1.00 98 91 96 43 46 44 51 50 52 97 91 54 95 97 91 47 C N C H H H H H H C N H C C N H -21.304 2.00 433 A 21.42 15.88 14.52 8.65 7.10 6.51 5.49 3.28 3.07 2.96 2.42 1.60 1.24 2 1 2 1 1 1 1 1 1 1 1 1 2 S P:x S S S S P:z S S P:y S S S -15.871 -7.353 -15.871 -6.581 -6.581 -6.581 -7.353 -6.581 -6.581 -7.353 -6.581 -6.581 -15.871 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 110 94 109 88 86 90 94 85 89 94 87 79 107 C N C H H H N H H N H H C -21.304 2.00 434 A 23.07 14.20 13.27 10.97 9.28 6.98 6.43 4.03 3.59 1.82 2 2 1 1 1 1 1 1 1 1 S S P:x P:z S S S S S S -15.871 -15.871 -7.353 -7.353 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 104 105 93 93 72 75 71 70 74 73 C C N N H H H H H H -21.301 2.00 435 A 22.40 18.02 9.99 7.17 7.01 6.83 5.09 4.05 2.51 2.29 1.71 1.60 1.54 1.51 1.50 1.34 -1.13 1 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 2 P:x S S S S S S S S S S P:y S S S S P:x -7.353 -15.871 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -7.353 -6.581 -6.581 -6.581 -6.581 5.519 1.00 2.00 2.00 2.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 91 96 97 95 52 50 45 49 98 54 51 91 47 46 53 44 96 N C C C H H H H C H H N H H H H C -21.297 2.00 436 A 24.20 12.59 9.92 8.80 6.48 5.31 5.26 4.57 4.21 2.92 2.81 2.79 2.39 1.37 -1.29 1.06 1 2 2 2 2 1 1 1 1 1 1 1 1 1 2 1 P:y S S S S S S S S S S S S S P:y S -7.353 -15.871 -15.871 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 5.519 -6.581 1.00 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 0.00 1.00 92 100 102 99 101 58 59 65 57 62 61 64 56 66 100 55 N C C C C H H H H H H H H H C H -21.289 2.00 437 A 22.82 20.80 16.36 8.54 7.79 5.34 4.49 4.28 2.35 1.58 -1.25 -1.05 1 2 2 1 1 1 1 1 1 1 2 2 P:z S S S S S S S S P:y P:z P:z -7.353 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 5.519 5.519 1.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 0.00 91 95 97 48 53 49 45 47 54 91 96 98 N C C H H H H H H N C C -21.285 2.00 438 A 23.09 19.38 17.69 8.24 8.15 5.02 4.80 3.98 2.61 1.52 -1.24 -1.06 -1.01 1 2 2 1 1 1 1 1 1 1 2 2 2 P:z S S S S S S S S P:x P:z P:z P:z -7.353 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 5.519 5.519 8.878 1.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 92 99 102 55 66 65 57 56 64 92 100 101 92 N C C H H H H H H N C C N -21.284 2.00 439 A 27.64 13.43 10.01 8.56 8.11 6.62 5.72 3.70 2.81 2.75 2.06 1.50 1.30 1.04 2 1 1 1 1 1 2 1 1 2 1 2 1 1 S P:z P:x S S S S S S S S S P:y S -15.871 -7.353 -7.353 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -15.871 -6.581 -15.871 -7.353 -6.581 2.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 2.00 1.00 2.00 1.00 1.00 106 93 93 76 77 78 103 67 74 105 71 104 93 69 C N N H H H C H H C H C N H -21.283 2.00 440 A 26.93 18.77 9.19 7.68 6.77 5.93 4.56 3.83 3.22 2.60 2.09 1.55 1.49 -1.11 2 1 1 1 2 1 1 1 2 1 1 1 1 2 S P:z S S S S S P:x S S P:y S S P:z -15.871 -7.353 -6.581 -6.581 -15.871 -6.581 -6.581 -7.353 -15.871 -6.581 -7.353 -6.581 -6.581 5.519 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 0.00 107 94 80 79 109 81 85 94 108 82 94 86 90 110 C N H H C H H N C H N H H C -17.842 2.00 441 A 5.85 4.36 3.46 3.39 3.39 3.33 2.61 2.58 2.57 2.57 2.55 2.53 2.52 2.50 2.46 2.46 2.45 2.37 2.36 1.96 1.92 1.90 1.88 1.88 1.86 1.82 1.81 1.77 1.76 1.73 1.50 1.48 1.42 1.22 1.09 1.08 2 2 2 2 2 2 1 2 1 1 1 1 2 2 1 2 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 S S S S S P:y S P:z -21.259 -21.259 -15.871 -15.871 -15.871 -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -15.871 -15.871 -6.581 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 2.00 2.00 2.00 2.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 2.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 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 94 91 109 108 107 110 85 97 88 86 80 79 98 95 90 96 83 82 84 53 45 52 89 48 49 43 50 46 44 81 87 51 47 110 54 107 N N C C C C H C H H H H C C H C H H H H H H H H H H H H H H H H H C H C -17.842 2.00 442 A 5.69 3.39 3.31 3.30 3.28 2.71 2.54 2.53 2.51 2.51 2.46 2.42 2.36 2.32 2.31 1.76 1.72 1.69 1.61 1.60 1.59 1.57 1.43 1.24 1.23 1.20 1.20 1.19 1.18 1.16 1.12 1.11 1.10 1.08 1.08 1.04 1.04 1.03 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 S S S S S S S S S S S S S S S S S S S S S S S P:y S S S S S S S S S P:z S S S S -21.259 -15.871 -15.871 -15.871 -15.871 -21.259 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -21.259 -6.581 -6.581 -15.871 -15.871 -15.871 -15.871 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -15.871 -15.871 -15.871 -15.871 2.00 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 2.00 1.00 1.00 2.00 2.00 2.00 2.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 2.00 2.00 2.00 2.00 93 104 103 106 105 91 72 75 71 77 76 74 68 69 67 94 78 73 97 96 98 95 70 105 45 53 52 50 48 49 43 44 46 106 109 108 110 107 N C C C C N H H H H H H H H H N H H C C C C H C H H H H H H H H H C C C C C -17.841 2.00 443 A 4.34 2.84 2.58 2.52 2.51 2.48 2.11 1.95 1.91 1.91 1.90 1.88 1.83 1.81 1.77 1.75 1.74 1.67 1.66 1.66 1.39 1.30 1.29 1.27 1.27 1.26 1.25 1.24 1.24 1.24 1.23 1.23 1.18 1.17 1.15 1.07 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 2 1 1 2 2 2 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 S S S S S S S S -21.259 -21.259 -15.871 -15.871 -15.871 -15.871 -21.259 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 -15.871 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -15.871 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 2.00 2.00 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 2.00 2.00 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 2.00 2.00 2.00 1.00 1.00 1.00 1.00 93 91 104 106 103 105 94 71 72 75 77 76 74 68 69 67 97 96 98 95 73 53 45 48 78 52 109 50 49 110 108 107 43 44 46 70 N N C C C C N H H H H H H H H H C C C C H H H H H H C H H C C C H H H H -17.839 2.00 444 A 9.20 5.52 5.35 5.30 5.28 4.14 4.10 4.05 4.02 3.95 3.91 3.83 3.73 3.73 2.74 2.74 2.07 2.06 1.75 1.62 1.48 -1.17 1.10 1.06 1.02 2 2 2 2 2 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 P:x P:z P:x P:z S P:y P:y P:y -21.259 -15.871 -15.871 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 3.073 -5.048 -5.048 -5.048 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 1.00 1.00 0.67 0.67 0.67 0.67 0.00 0.67 0.67 0.67 92 102 101 99 100 66 65 59 55 57 58 63 61 62 60 56 64 100 99 101 102 64 102 99 101 N C C C C H H H H H H H H H H H H C C C C H C C C -14.971 2.00 445 A 9.59 6.05 5.15 4.22 3.92 3.59 3.23 3.20 3.18 2.86 2.84 2.31 2.30 2.11 2.10 1.95 1.89 1.87 1.72 1.68 1.51 1.48 1.43 1.40 1.32 1.26 1.15 1.08 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 P:x P:z P:y P:z P:x S S P:x S P:y S S P:z P:z S P:y S P:x S S S P:y S P:y P:y S P:y S S P:x -7.353 -5.048 -7.353 -5.048 -7.353 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -7.353 -6.581 -5.048 -15.871 -5.048 -6.581 -6.581 -6.581 -7.353 -6.581 -5.048 -5.048 -15.871 -5.048 -6.581 -6.581 -5.048 1.00 0.67 1.00 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 0.67 2.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 2.00 0.67 1.00 1.00 0.67 94 109 94 108 91 85 83 107 86 110 82 89 97 94 80 108 109 110 81 88 53 91 43 107 98 108 96 51 48 109 N C N C N H H C H C H H C N H C C C H H H N H C C C C H H C -14.968 2.00 446 A 11.57 7.60 6.95 4.71 4.32 4.02 4.01 3.73 3.62 3.04 2.96 2.72 2.67 2.59 2.30 2.26 2.19 2.18 2.00 1.73 1.09 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 P:x P:z P:y P:z S S S S P:x P:y P:y P:x S S P:z S S S P:y S P:x P:x -7.353 -5.048 -7.353 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -7.353 -6.581 -6.581 -15.871 -5.048 -15.871 -5.048 -7.353 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 2.00 0.67 2.00 0.67 1.00 93 104 93 103 71 68 72 67 106 105 103 105 73 77 93 75 78 104 106 103 104 94 N C N C H H H H C C C C H H N H H C C C C N -14.968 2.00 447 A 6.38 5.91 4.93 4.20 4.14 3.94 2.51 2.41 2.36 2.32 2.29 2.25 2.23 2.12 2.11 2.06 1.95 1.89 1.84 1.80 1.77 1.65 1.57 1.52 1.48 1.48 1.44 1.33 1.31 1.29 1.25 1.24 1.22 1.21 1.17 1.15 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 2 1 2 1 2 P:y P:x P:y P:z P:z P:x P:y S S S P:z S S S S S P:x P:x P:y P:z P:y P:y S S P:x S S P:y S S P:z P:x P:x S S S S S -7.353 -7.353 -7.353 -5.048 -5.048 -7.353 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -7.353 -5.048 -5.048 -15.871 -6.581 -15.871 -6.581 -15.871 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 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 0.67 0.67 2.00 1.00 2.00 1.00 2.00 92 91 91 102 97 92 98 66 43 53 101 63 65 61 44 45 101 96 99 98 95 100 48 60 100 55 51 96 59 52 92 99 95 98 56 102 47 101 N N N C C N C H H H C H H H H H C C C C C C H H C H H C H H N C C C H C H C -14.964 2.00 448 A 5.56 4.41 3.75 3.06 2.86 2.84 2.08 2.06 2.06 2.06 2.02 1.97 1.92 1.87 1.63 1.60 1.47 1.43 1.41 1.32 1.31 1.31 1.18 1.17 1.15 1.15 1.14 1.13 1.13 1.12 1.10 1.10 1.08 1.08 1.05 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 P:y P:x P:z P:x P:y P:x S P:z S S S P:x P:y P:z P:z P:x P:x P:y P:y P:y S S S P:z S S S P:z S P:x S S P:y S P:x P:y -7.353 -7.353 -5.048 -7.353 -7.353 -7.353 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -7.353 -5.048 -7.353 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -15.871 -5.048 -6.581 -5.048 -5.048 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 1.00 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 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 2.00 0.67 1.00 0.67 0.67 92 92 102 94 91 91 61 97 63 65 66 101 100 101 109 93 99 93 99 98 59 55 43 108 60 44 85 104 56 96 53 101 110 45 100 95 N N C N N N H C H H H C C C C N C N C C H H H C H H H C H C H C C H C C -14.963 2.00 449 A 5.40 5.22 4.73 3.23 2.97 2.82 2.76 2.64 2.59 2.30 2.28 2.17 2.15 2.08 2.05 2.04 1.98 1.77 1.74 1.64 1.51 1.31 1.28 1.27 1.21 1.17 1.16 1.12 1.11 1.11 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:x P:x S S P:y P:y S P:z S S S S P:z S P:y P:y P:y P:x P:y P:x S P:x P:y P:y P:y P:x S S -7.353 -7.353 -7.353 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -7.353 -6.581 -6.581 -6.581 -6.581 -7.353 -6.581 -5.048 -7.353 -7.353 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 94 91 94 108 110 90 84 107 109 50 93 79 87 54 46 92 49 97 91 93 98 96 96 74 103 110 104 95 95 69 70 N N N C C H H C C H N H H H H N H C N N C C C H C C C C C H H -14.961 2.00 450 A 4.84 4.69 4.58 4.00 3.25 2.97 2.97 2.90 2.84 2.65 2.52 2.30 2.25 2.19 2.18 2.15 2.03 2.01 1.98 1.90 1.90 1.79 1.67 1.57 1.16 1.13 1.09 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 2 2 1 1 P:z P:y P:y P:z P:x P:y P:x S P:y S S P:x S P:y S P:y S P:x S P:z P:y S P:y P:y S S S P:y P:x -7.353 -7.353 -7.353 -7.353 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -7.353 -5.048 -6.581 -5.048 -7.353 -6.581 -15.871 -15.871 -5.048 -5.048 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 2.00 2.00 0.67 0.67 94 94 93 93 108 109 103 90 104 74 84 110 69 105 87 110 79 105 70 91 107 76 106 91 50 110 105 97 98 N N N N C C C H C H H C H C H C H C H N C H C N H C C C C -14.960 2.00 451 A 5.57 4.56 3.96 3.40 3.11 2.90 2.76 2.71 2.65 2.63 2.52 2.45 2.39 2.32 2.25 2.10 2.08 2.02 1.98 1.97 1.92 1.83 1.81 1.60 1.51 1.47 1.46 1.39 1.28 1.20 1.13 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:x P:y S P:z P:y S P:x S S P:y S P:x S P:x S P:y P:y S P:x P:y P:x S P:x P:y P:y S S S P:y P:x -7.353 -7.353 -7.353 -7.353 -6.581 -7.353 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -7.353 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 1.00 1.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 92 91 92 91 58 93 101 62 102 50 64 97 57 98 46 100 54 93 100 49 99 96 96 74 103 104 95 69 70 76 105 105 N N N N H N C H C H H C H C H C H N C H C C C H C C C H H H C C -14.957 2.00 452 A 5.73 4.57 3.61 3.26 3.00 2.96 2.78 2.59 2.58 2.34 2.24 2.18 1.96 1.90 1.79 1.75 1.72 1.63 1.56 1.38 1.34 1.29 1.25 1.24 1.21 1.17 1.16 1.15 1.09 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 P:z P:x P:y S P:y S P:x S S P:y P:x P:z P:x P:x P:y P:y P:y P:z P:z S P:x S P:y P:x P:y P:x S P:y S S S -7.353 -7.353 -7.353 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -7.353 -5.048 -5.048 -7.353 -5.048 -7.353 -7.353 -7.353 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 0.67 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 0.67 1.00 1.00 1.00 92 92 93 58 101 62 102 64 57 100 99 91 103 100 94 104 91 94 93 74 105 50 105 108 97 98 69 109 46 90 54 N N N H C H C H H C C N C C N C N N N H C H C C C C H C H H H -14.950 2.00 453 A 8.41 7.83 6.65 5.76 5.56 4.52 4.29 3.43 3.36 3.33 2.93 2.89 2.83 2.65 2.31 2.04 1.82 1.78 1.41 1.35 1.06 1.04 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 P:z P:x P:z P:z P:x P:y S S S P:y S P:x S S S S S P:z S P:y P:x P:y P:z -7.353 -7.353 -5.048 -5.048 -5.048 -7.353 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -15.871 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -7.353 -7.353 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.67 2.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 0.67 1.00 1.00 91 91 95 96 97 91 47 52 48 98 45 95 95 51 44 43 49 98 53 96 98 92 92 N N C C C N H H H C H C C H H H H C H C C N N -14.948 2.00 454 A 4.51 4.33 4.16 4.09 3.69 3.54 3.05 2.98 2.50 2.33 2.32 2.22 2.01 1.93 1.73 1.73 1.73 1.72 1.72 1.71 1.57 1.40 1.39 1.38 1.37 1.35 1.27 1.20 1.18 1.14 1.09 1.07 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 P:x P:z P:z P:y P:z P:y P:x P:z P:y S P:z S P:z S S S S P:x P:y P:x S S S P:y S P:x S S P:x S S P:z S S -7.353 -7.353 -5.048 -7.353 -5.048 -7.353 -5.048 -5.048 -5.048 -6.581 -7.353 -6.581 -5.048 -6.581 -15.871 -6.581 -6.581 -5.048 -5.048 -7.353 -6.581 -6.581 -6.581 -7.353 -6.581 -5.048 -6.581 -6.581 -7.353 -6.581 -6.581 -5.048 -15.871 -6.581 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 2.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 2.00 1.00 94 94 107 92 110 94 109 99 108 81 92 80 100 88 107 89 55 101 102 92 86 60 56 91 83 107 82 63 91 59 79 95 99 85 N N C N C N C C C H N H C H C H H C C N H H H N H C H H N H H C C H -14.947 2.00 455 A 10.10 7.81 6.84 6.20 5.81 4.77 3.83 3.67 3.61 3.11 2.77 2.71 2.62 2.61 2.49 2.40 1.69 1.67 1.46 1.46 1.37 1.34 1.05 1.00 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:z P:z P:x P:y S S P:y S S S P:x S S S S S P:z S P:y S P:x P:z -7.353 -7.353 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -7.353 -15.871 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -7.353 -6.581 -7.353 -5.048 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 2.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 93 93 106 105 104 103 77 78 93 106 73 75 106 76 68 72 71 67 103 69 92 70 92 99 N N C C C C H H N C H H C H H H H H C H N H N C -14.946 2.00 456 A 4.65 4.63 4.42 3.83 3.73 3.42 3.21 3.14 2.94 2.93 2.74 2.72 2.34 2.10 1.92 1.92 1.84 1.77 1.67 1.63 1.56 1.55 1.53 1.49 1.47 1.43 1.30 1.30 1.21 1.14 1.10 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 2 2 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:x P:y P:z P:z P:z P:z P:x P:y P:x P:y S S P:x S S P:y S S S S S P:y S S S S S P:x S S S S -7.353 -7.353 -7.353 -7.353 -5.048 -5.048 -5.048 -5.048 -7.353 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -7.353 -6.581 -6.581 -15.871 -15.871 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 2.00 2.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 92 94 94 92 99 107 100 110 92 102 109 108 56 80 101 59 55 94 81 65 99 107 89 99 60 83 61 79 88 107 63 86 57 85 N N N N C C C C N C C C H H C H H N H H C C H C H H H H H C H H H H -14.749 2.00 457 A 12.71 12.57 4.23 4.14 3.74 3.68 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1.27 1 1 3 3 3 3 1 1 1 1 1 1 4 1 1 1 4 4 1 4 P:z P:z D:z2 D:z2 D:z2 D:z2 P:z P:z P:z P:z P:x P:x D:z2 P:z P:x P:z D:z2 D:z2 P:x D:z2 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 4.723 -9.955 -9.955 -9.955 4.723 4.723 -9.955 4.723 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 0.00 0.00 1.33 0.00 31 32 4 1 2 3 25 26 29 28 30 27 3 27 29 30 2 4 28 1 O O W W W W O O O O O O W O O O W W O W -14.145 2.00 462 A 20.50 20.47 4.94 4.86 4.44 4.35 2.38 2.37 2.32 2.30 1.73 1.71 1.64 1.62 1.49 1.41 1.41 1.39 1.38 1.23 1 1 3 3 3 3 1 1 1 1 1 4 1 1 1 4 1 4 1 4 P:z P:z D:z2 D:z2 D:z2 D:z2 P:z P:z P:z P:z P:y D:z2 P:y P:y P:y D:z2 P:z D:z2 P:z D:z2 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 4.723 -9.955 -9.955 -9.955 4.723 -9.955 4.723 -9.955 4.723 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 0.00 1.33 0.00 1.33 0.00 25 26 8 5 6 7 31 32 22 23 24 7 23 21 22 6 21 8 24 5 O 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1.33 0.00 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 11 12 37 38 10 9 30 27 24 6 21 1 9 2 23 10 7 22 29 5 4 28 3 8 25 26 31 32 O O O O W W O O O W O W W W O W W O O W W O W W O O O O -12.917 2.00 476 A 9.49 8.20 5.84 5.58 4.81 3.81 2.13 1.45 1.44 1.41 1.35 1.17 1.08 1 1 1 1 1 1 3 1 3 3 1 3 1 P:y P:y P:x P:y P:y P:x D:x2-y2 P:x D:x2-y2 D:xy P:x D:xy P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 19 18 18 17 20 19 4 42 3 8 41 7 32 O O O O O O W O W W O W O -12.899 2.00 477 A 6.33 4.79 3.82 3.52 3.51 3.38 3.09 2.64 2.27 2.26 2.25 2.10 1.64 1.56 1.49 1.38 1.33 1.30 1.29 1.27 1.21 1.16 1.13 1.12 1 1 1 1 1 1 3 3 1 1 3 1 1 1 3 3 1 1 3 3 1 1 1 1 P:x P:x P:y P:x P:y P:y D:xy D:xy P:y P:x D:xy P:y P:x P:z D:yz D:xy P:z P:z D:yz D:xy P:x P:z P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 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8.22 7.00 4.48 3.51 2.53 2.39 2.28 2.28 2.22 1.91 1.81 1.76 1.59 1.49 1.42 1.37 1.28 1.27 1.26 1.25 1.21 1.05 1 1 1 1 1 1 3 1 1 1 1 1 3 1 1 1 1 3 1 1 1 1 1 P:y P:y P:y P:y P:x P:y D:x2-y2 P:x P:y P:x P:x P:x D:x2-y2 P:x S P:x S D:xy P:x P:y S P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -5.048 -9.955 -5.048 -5.048 -9.955 -4.382 -9.955 -6.581 -9.955 -6.581 -4.382 -9.955 -5.048 -6.581 -5.048 -5.048 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.67 1.33 0.67 0.67 1.33 0.80 1.33 1.00 1.33 1.00 0.80 1.33 0.67 1.00 0.67 0.67 13 16 14 15 16 17 1 105 20 106 104 13 2 20 77 39 73 5 17 105 71 103 103 O O O O O O W C O C C O W O H O H W O C H C C -12.793 2.00 480 A 14.86 13.73 7.91 7.38 5.60 4.40 2.97 2.75 1.37 1.33 1.32 1.22 1.11 1.05 1.04 1 1 1 1 1 1 3 3 1 4 1 4 1 1 3 P:x P:x P:x P:x P:y P:y D:x2-y2 D:x2-y2 P:x D:x2-y2 P:y D:x2-y2 P:y P:x D:xy -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 4.723 -9.955 4.723 -9.955 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.00 1.33 0.00 1.33 1.33 0.80 15 14 13 16 14 15 5 6 18 6 33 5 34 19 1 O O O O O O W W O W O W O O W -12.746 2.00 481 A 4.55 4.22 4.15 4.07 2.94 2.92 2.79 2.73 2.72 2.63 2.58 2.53 2.30 2.09 1.73 1.69 1.67 1.62 1.61 1.61 1.53 1.51 1.50 1.42 1.40 1.40 1.38 1.37 1.37 1.36 1.28 1.11 1.07 1.05 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x S S S S P:y P:y P:y P:y P:y P:y S S P:x S P:x P:x S S P:x S P:x S P:x P:z S P:z P:y S P:y S S -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 1.00 1.00 97 96 95 98 48 53 51 43 96 99 100 102 98 101 55 66 110 63 101 107 52 60 109 45 108 44 100 97 47 95 95 85 97 80 89 C C C C H H H H C C C C C C H H C H C C H H C H C H C C H C C H C H H -12.735 2.00 482 A 6.58 6.25 5.61 5.23 3.59 3.54 3.30 3.02 3.00 2.92 2.89 2.77 1.82 1.78 1.74 1.66 1.61 1.52 1.49 1.45 1.39 1.37 1.16 1.16 1.14 1.14 1.06 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y P:z P:z P:x P:x S S S S S S S S S S S S P:z P:z S S P:x S P:x P:x -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 96 98 97 95 100 101 102 99 54 50 49 46 52 45 44 64 47 58 57 62 95 97 65 61 105 59 103 106 C C C C C C C C H H H H H H H H H H H H C C H H C H C C -12.729 2.00 483 A 9.29 9.00 6.54 6.32 4.71 4.61 4.39 4.34 3.10 2.89 2.11 2.04 1.99 1.59 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y S S S S P:z P:z S S S S -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 1.00 105 103 104 106 70 74 69 76 104 106 67 72 75 78 C C C C H H H H C C H H H H -12.723 2.00 484 A 4.61 4.34 3.93 3.88 2.78 2.69 2.68 2.57 2.43 2.36 2.34 2.31 2.04 2.02 1.94 1.91 1.89 1.81 1.50 1.47 1.36 1.29 1.27 1.25 1.22 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:z P:z P:z P:z P:y P:x P:y P:x S S S S S S S S P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 110 108 101 100 107 102 109 99 90 87 84 79 58 62 64 57 109 107 98 96 103 99 102 105 104 106 C C C C C C C C H H H H H H H H C C C C C C C C C C -12.704 2.00 485 A 2.93 2.88 2.76 2.66 2.53 2.47 2.39 2.35 2.25 2.16 2.14 2.09 2.01 2.01 1.95 1.90 1.84 1.84 1.81 1.81 1.80 1.76 1.69 1.68 1.63 1.59 1.57 1.54 1.50 1.47 1.34 1.28 1.28 1.25 1.19 1.17 1.15 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 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:x P:x P:x P:x P:z S S S S S P:y S S P:z S P:z P:z P:y P:y S S S P:z P:y P:y P:x S P:y P:x S P:x S S S -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -9.955 -6.581 -5.048 -9.955 -6.581 -5.048 -6.581 -6.581 -6.581 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 1.33 1.00 0.67 1.33 1.00 0.67 1.00 1.00 1.00 110 108 100 101 109 108 109 107 110 107 84 62 90 87 79 101 58 57 99 83 98 102 102 100 85 80 64 96 99 97 17 89 95 15 63 99 66 55 60 C C C C C C C C C C H H H H H C H H C H C C C C H H H C C C O H C O H C H H H -12.688 2.00 486 A 5.39 4.31 3.77 3.31 3.03 3.03 2.94 2.81 2.67 2.22 2.17 2.11 1.88 1.87 1.86 1.74 1.69 1.43 1.43 1.32 1.31 1.28 1.28 1.18 1.07 1.07 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 1 1 1 1 1 1 1 1 1 P:y P:y S P:y S S P:y P:y P:z S P:x P:x P:x P:x P:z P:x P:x S P:y S P:x P:y S S P:x S P:x S P:y -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -9.955 -5.048 -6.581 -9.955 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -9.955 -6.581 -9.955 -9.955 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 0.67 0.67 1.00 0.67 1.00 1.00 0.67 1.33 0.67 1.00 1.33 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.33 1.00 1.33 1.33 1.00 1.00 0.67 1.00 0.67 1.00 0.67 109 107 82 108 86 88 110 17 108 81 20 110 107 108 110 109 102 85 14 83 17 20 61 89 100 80 99 59 101 C C H C H H C O C H O C C C C C C H O H O O H H C H C H C -12.668 2.00 487 A 6.34 5.02 4.93 4.55 4.10 4.04 4.01 3.25 3.22 3.05 2.96 2.89 2.82 2.69 2.68 2.56 2.07 1.96 1.96 1.48 1.25 1.18 1.15 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 P:y P:x P:y P:x P:x P:x P:x P:y S S P:y P:x S S S P:y S P:y S P:y S P:y P:z P:z -9.955 -5.048 -9.955 -5.048 -5.048 -9.955 -5.048 -5.048 -6.581 -6.581 -5.048 -9.955 -6.581 -6.581 -6.581 -5.048 -6.581 -9.955 -6.581 -5.048 -6.581 -9.955 -5.048 -5.048 1.33 0.67 1.33 0.67 0.67 1.33 0.67 0.67 1.00 1.00 0.67 1.33 1.00 1.00 1.00 0.67 1.00 1.33 1.00 0.67 1.00 1.33 0.67 0.67 16 103 13 105 106 13 104 103 68 71 105 16 73 67 77 104 72 15 75 106 78 14 104 98 O C O C C O C C H H C O H H H C H O H C H O C C -12.658 2.00 488 A 4.88 4.22 3.85 3.78 3.40 2.72 2.45 2.37 2.12 2.08 1.89 1.86 1.85 1.84 1.83 1.80 1.74 1.69 1.63 1.52 1.51 1.44 1.42 1.38 1.33 1.31 1.26 1.24 1.16 1.14 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 P:y P:x P:x P:y P:x P:x P:x P:x S P:y P:y P:y P:y P:y S P:y P:x S S S S P:y S P:x S P:x P:y S S S S S S -9.955 -9.955 -9.955 -9.955 -5.048 -5.048 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H C H N O O O W C C W O N O N C O -11.760 2.00 497 A 5.02 4.63 3.26 2.87 2.43 2.43 2.20 2.15 2.11 2.04 1.99 1.88 1.52 1.51 1.46 1.43 1.40 1.37 1.37 1.33 1.31 1.22 1.21 1.18 1.11 1.08 1.08 1.05 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 3 1 1 1 P:y P:x P:y S S P:x P:y P:y P:y P:y S P:y P:y P:y P:z P:z P:x D:z2 P:y P:y P:z S P:x P:y P:x D:xy P:z P:x P:z -9.955 -9.955 -9.955 -6.581 -6.581 -9.955 -9.955 -9.955 -9.955 -7.353 -6.581 -5.048 -9.955 -5.048 -9.955 -9.955 -9.955 -4.382 -9.955 -5.048 -9.955 -6.581 -7.353 -5.048 -9.955 -4.382 -9.955 -5.048 -9.955 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.00 1.00 0.67 1.33 0.67 1.33 1.33 1.33 0.80 1.33 0.67 1.33 1.00 1.00 0.67 1.33 0.80 1.33 0.67 1.33 41 36 20 54 51 17 15 39 19 91 47 98 21 97 38 22 19 7 35 96 24 46 91 95 34 4 37 98 29 O O O H H O O O O N H C O C O O O W O C O H N C O W O C O -11.745 2.00 498 A 4.01 3.03 2.84 2.69 2.43 2.33 2.32 2.21 2.19 2.08 1.95 1.93 1.85 1.72 1.71 1.55 1.55 1.54 1.50 1.49 1.47 1.44 1.42 1.41 1.31 1.24 1.18 1.18 1.14 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 3 1 3 1 1 1 3 1 1 1 3 1 3 1 1 1 1 3 1 1 P:x P:z P:x P:x P:x P:x P:z P:x P:x P:z P:x D:xy P:x D:z2 P:x P:x S D:xy P:x P:y P:z D:xy S D:z2 P:x P:x P:x P:x D:z2 P:x S -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -6.581 -4.382 -9.955 -9.955 -9.955 -4.382 -6.581 -4.382 -9.955 -9.955 -5.048 -9.955 -4.382 -9.955 -6.581 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.00 0.80 1.33 1.33 1.33 0.80 1.00 0.80 1.33 1.33 0.67 1.33 0.80 1.33 1.00 35 28 33 42 14 27 29 20 41 30 39 8 30 3 36 18 70 5 19 39 27 7 78 1 16 17 103 40 4 29 73 O O O O O O O O O O O W O W O O H W O O O W H W O O C O W O H -11.657 2.00 499 A 3.82 3.69 3.38 3.24 2.88 2.68 2.14 2.09 2.07 2.06 2.00 1.86 1.78 1.74 1.67 1.64 1.63 1.43 1.39 1.32 1.27 1.22 1.21 1.18 1.12 1.12 1.09 1.05 3 1 3 1 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:y D:xy P:y P:x P:x P:y P:x P:y S P:x P:x 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1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.67 1.33 1.33 0.80 1.33 1.33 1.00 0.80 0.80 1.33 1.00 21 23 24 22 40 38 39 25 41 37 33 42 83 101 40 26 10 21 24 89 9 6 42 62 O O O O O O O O O O O O H C O O W O O H W W O H -11.591 2.00 501 A 4.35 3.29 3.21 3.01 2.59 2.36 2.19 2.05 2.02 1.97 1.85 1.64 1.61 1.58 1.45 1.44 1.42 1.39 1.26 1.25 1.17 1.12 1.10 1.02 1.02 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 3 1 P:x P:z P:z P:z P:z P:x P:z P:z S P:x P:x P:y P:x P:z D:xz S P:x S P:z P:y P:x P:z P:z P:x D:xy P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -5.048 -9.955 -6.581 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -6.581 -9.955 -6.581 -9.955 -9.955 -9.955 -9.955 -5.048 -9.955 -4.382 -5.048 1.33 1.33 1.33 1.33 1.33 1.33 0.67 1.33 1.00 1.33 1.33 1.33 1.33 1.33 0.80 1.00 1.33 1.00 1.33 1.33 1.33 1.33 0.67 1.33 0.80 0.67 34 30 29 27 28 38 98 33 68 36 31 39 32 35 10 73 37 46 34 28 27 36 103 24 9 105 O O O O O O C O H O O O O O W H O H O O O O C O W C -11.570 2.00 502 A 3.93 2.99 2.56 2.38 2.11 2.10 2.08 1.84 1.77 1.60 1.55 1.38 1.27 1.25 1.23 1.23 1.22 1.20 1.12 1.12 1.11 1.09 1.08 1.08 1.05 1.05 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 3 1 1 P:y P:x S S P:x P:y P:y P:x P:z P:z P:y P:y P:x S S P:y S P:x S D:xy P:x P:x P:x S D:xy S P:x -9.955 -9.955 -6.581 -6.581 -5.048 -5.048 -9.955 -9.955 -5.048 -5.048 -9.955 -9.955 -9.955 -6.581 -6.581 -9.955 -6.581 -9.955 -6.581 -4.382 -9.955 -9.955 -5.048 -6.581 -4.382 -6.581 -9.955 1.33 1.33 1.00 1.00 0.67 0.67 1.33 1.33 0.67 0.67 1.33 1.33 1.33 1.00 1.00 1.33 1.00 1.33 1.00 0.80 1.33 1.33 0.67 1.00 0.80 1.00 1.33 41 35 63 43 98 101 29 23 108 103 40 36 42 46 82 28 84 20 62 4 38 22 100 69 10 60 19 O O H H C C O O C C O O O H H O H O H W O O C H W H O -11.557 2.00 503 A 4.13 3.60 2.39 2.23 1.93 1.79 1.72 1.70 1.69 1.63 1.46 1.40 1.37 1.35 1.35 1.31 1.20 1.17 1.15 1.15 1.05 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 S P:x S P:x P:y P:y S P:z P:z P:x P:y P:z P:x P:y P:x D:xz P:z P:z P:x P:z P:x P:x P:x -6.581 -5.048 -6.581 -9.955 -5.048 -5.048 -6.581 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -5.048 -7.353 -4.382 -9.955 -9.955 -5.048 -9.955 -9.955 -9.955 -9.955 1.00 0.67 1.00 1.33 0.67 0.67 1.00 1.33 1.33 1.33 1.33 1.33 1.33 0.67 1.00 0.80 1.33 1.33 0.67 1.33 1.33 1.33 1.33 68 103 67 37 103 101 63 27 28 40 37 30 31 105 93 9 22 35 106 29 32 14 16 H C H O C C H O O O O O O C N W O O C O O O O -11.548 2.00 504 A 4.01 3.78 2.77 2.26 2.25 2.21 2.04 1.88 1.73 1.69 1.67 1.66 1.42 1.39 1.34 1.33 1.32 1.32 1.31 1.24 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 P:x S S S S P:x S P:y S S P:x P:x P:x P:y P:x P:x S P:y P:x P:z P:z P:z -9.955 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -9.955 -5.048 -9.955 -9.955 -6.581 -5.048 -5.048 -5.048 -9.955 -5.048 1.33 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.33 0.67 1.33 1.33 1.00 0.67 0.67 0.67 1.33 0.67 34 83 44 63 47 108 89 101 61 68 103 98 40 95 13 37 84 108 101 110 36 98 O H H H H C H C H H C C O C O O H C C C O C -11.541 2.00 505 A 6.30 3.86 3.84 2.94 2.87 2.78 2.77 2.68 2.58 1.82 1.66 1.60 1.42 1.38 1.36 1.26 1.18 1.15 1.11 1.11 1.11 1.08 1.04 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y P:x P:y S S P:z P:y S S P:z S P:z P:x P:x P:y P:y S P:y P:z P:y S P:z P:y -6.581 -9.955 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -7.353 -9.955 -9.955 -9.955 -7.353 -6.581 -9.955 -5.048 -9.955 -6.581 -9.955 -9.955 1.00 1.33 0.67 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.33 1.33 1.33 1.00 1.00 1.33 0.67 1.33 1.00 1.33 1.33 43 40 98 98 61 82 101 96 51 56 108 44 92 34 33 14 91 59 37 107 13 62 38 26 H O C C H H C C H H C H N O O O N H O C O H O O -11.520 2.00 506 A 3.11 3.01 2.81 2.66 2.47 2.39 2.33 2.18 2.15 2.14 2.12 2.06 2.04 1.95 1.92 1.83 1.78 1.72 1.69 1.64 1.52 1.37 1.29 1.28 1.25 1.22 1.21 1.20 1.16 1.10 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 1 1 1 S P:x P:x S S P:y P:z P:x S S S S P:z P:z S P:y P:x S S P:x P:z S P:y P:x P:y P:x P:y S S P:x P:x P:y -6.581 -5.048 -7.353 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -7.353 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -7.353 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 0.67 0.67 0.67 53 102 92 67 68 103 97 99 57 58 65 50 91 95 48 109 101 66 61 100 96 72 93 110 104 106 105 86 63 108 103 95 H C N H H C C C H H H H N C H C C H H C C H N C C C C H H C C C -11.519 2.00 507 A 6.86 5.01 2.94 2.82 2.64 2.63 2.36 2.24 2.20 2.17 2.08 1.97 1.84 1.83 1.78 1.63 1.52 1.48 1.41 1.38 1.35 1.29 1.27 1.17 1.14 1.09 1.06 1.04 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x P:x P:x S P:y S S P:y S P:x S S S P:x P:y S P:z S P:x S S P:z P:z P:x S S P:z S -6.581 -5.048 -5.048 -7.353 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 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-9.955 -7.353 -6.581 -7.353 1.00 1.00 0.67 0.67 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.33 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.33 1.00 1.00 1.00 82 69 104 103 109 97 94 108 98 50 74 46 90 44 108 79 86 42 110 91 67 84 49 105 63 107 93 72 70 45 83 41 93 71 91 H H C C C C N C C H H H H H C H H O C N H H H C H C N H H H H O N H N -11.511 2.00 509 A 6.16 6.02 5.64 5.50 5.26 4.74 4.44 3.70 2.93 2.32 1.78 1.71 1.64 1.54 1.32 1.29 1.22 1.15 1.04 1.02 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 S P:z S P:z S P:y S P:y P:z P:y S S P:y P:y S S S -6.581 -5.048 -7.353 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -7.353 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 1.00 1.00 71 104 93 74 105 77 106 75 106 67 93 103 105 63 69 109 99 65 44 61 H C N H C H C H C H N C C H H C C H H H -11.508 2.00 510 A 4.61 4.25 4.19 3.66 3.04 2.92 2.91 2.73 2.27 2.19 2.10 2.05 2.00 1.95 1.93 1.77 1.73 1.70 1.63 1.63 1.62 1.61 1.58 1.41 1.34 1.30 1.29 1.18 1.15 1.13 1.12 1.12 1.10 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S S P:x P:x P:x S S P:x P:x P:y P:x P:z S S S P:y S P:x S P:z P:z S P:y P:z P:y P:x P:y S P:z S P:x S P:y -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -7.353 -7.353 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -7.353 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -7.353 -6.581 -7.353 -6.581 -7.353 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 72 75 86 110 109 105 79 59 94 93 107 104 105 65 76 88 109 45 96 77 104 93 85 100 100 104 106 102 68 92 49 91 90 94 H H H C C C H H N N C C C H H H C H C H C N H C C C C C H N H N H N -11.504 2.00 511 A 4.26 4.00 3.83 3.80 3.80 3.17 3.09 3.08 3.07 3.06 3.05 2.76 2.75 2.71 2.44 2.25 2.25 2.19 2.02 2.01 2.00 1.92 1.91 1.88 1.85 1.65 1.63 1.55 1.41 1.32 1.29 1.28 1 1 1 1 1 1 1 1 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 S P:z P:z P:z S P:z S P:z P:z S S P:z P:z S P:z P:z P:z P:z S S S S S P:z S S S S S S -5.048 -7.353 -6.581 -7.353 -5.048 -5.048 -6.581 -5.048 -6.581 -7.353 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.00 110 92 58 94 100 102 88 96 66 91 109 52 90 99 97 61 101 107 108 95 59 80 50 44 55 98 85 84 53 62 48 82 C N H N C C H C H N C H H C C H C C C C H H H H H C H H H H H H -11.501 2.00 512 A 6.96 5.48 5.36 5.17 4.88 4.26 3.64 3.12 2.65 2.41 2.28 2.18 1.90 1.83 1.80 1.66 1.46 1.39 1.33 1.32 1.26 1.10 1.05 1.04 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:x S S P:x S P:y P:x P:y P:x P:x P:x S P:z S P:z P:z P:x P:z P:y P:z P:y P:z P:x -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -7.353 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -7.353 -7.353 -5.048 -7.353 -5.048 -5.048 -5.048 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 45 72 96 52 75 105 49 97 91 104 104 97 95 76 97 48 96 105 93 91 106 93 95 95 110 H H C H H C H C N C C C C H C H C C N N C N C C C -11.498 2.00 513 A 5.62 4.52 4.24 3.59 3.58 2.86 2.76 2.69 2.22 2.10 2.07 1.87 1.80 1.78 1.74 1.69 1.66 1.66 1.59 1.47 1.46 1.37 1.37 1.33 1.16 1.15 1.09 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 1 1 1 1 P:z S S S P:z S P:y P:z S P:z P:x S P:y P:y P:z P:y S S S S S S S P:y P:z P:x S P:z P:z S -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -7.353 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 109 88 80 66 110 85 102 94 53 107 99 58 100 106 97 107 90 71 86 87 48 65 57 92 95 104 74 102 104 70 C H H H C H C N H C C H C C C C H H H H H H H N C C H C C H -11.490 2.00 514 A 5.01 3.63 3.59 3.58 3.20 2.85 2.21 1.93 1.86 1.85 1.80 1.74 1.71 1.69 1.52 1.40 1.31 1.23 1.23 1.20 1.20 1.15 1.11 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 S P:x P:x S P:x S P:x S S S P:x S S P:x P:y S P:x S S P:x P:y P:y P:z P:y P:y -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -7.353 -6.581 -6.581 -5.048 -5.048 -6.581 -9.955 -6.581 -6.581 -9.955 -5.048 -5.048 -5.048 -9.955 -5.048 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.33 1.00 1.00 1.33 0.67 0.67 0.67 1.33 0.67 88 110 96 86 97 45 104 89 53 52 91 71 82 109 109 63 33 51 49 35 110 108 110 40 95 H C C H C H C H H H N H H C C H O H H O C C C O C -11.482 2.00 515 A 8.29 7.49 6.36 3.56 2.84 2.18 2.05 2.03 1.97 1.96 1.79 1.71 1.56 1.53 1.43 1.37 1.25 1.25 1.23 1.21 1.15 1.14 1.14 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 S P:y S S P:x P:y P:y P:y S P:z S P:z S P:y S S P:x P:x P:x P:z P:y P:x P:z S -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -7.353 -6.581 -5.048 -6.581 -5.048 -6.581 -9.955 -6.581 -6.581 -5.048 -5.048 -5.048 -7.353 -5.048 -5.048 -5.048 -6.581 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.33 1.00 1.00 0.67 0.67 0.67 1.00 0.67 0.67 0.67 1.00 59 100 65 60 102 107 102 92 72 102 90 100 75 40 57 55 105 110 104 92 104 100 110 89 H C H H C C C N H C H C H O H H C C C N C C C H -11.469 2.00 516 A 5.12 4.95 4.95 4.48 3.88 3.08 3.02 2.99 2.16 1.91 1.85 1.74 1.73 1.72 1.62 1.54 1.49 1.48 1.42 1.36 1.33 1.16 1.15 1.12 1.10 1.09 1.06 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:z S P:z S P:y S P:y S S S P:x S S P:y S P:z P:x S P:z P:x S S S S P:y P:z S -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 1.00 0.67 1.00 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 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 58 100 57 96 50 95 49 99 55 52 76 99 79 80 106 59 99 102 74 107 107 65 47 45 67 97 105 85 H C H C H C H C H H H C H H C H C C H C C H H H H C C H -11.463 2.00 517 A 4.51 4.30 4.17 4.15 2.49 2.46 2.45 2.27 2.24 2.22 2.20 2.18 2.06 1.96 1.74 1.67 1.59 1.49 1.44 1.30 1.28 1.21 1.19 1.15 1.14 1.09 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x S S S P:z S S S P:z P:y S S P:x S P:y S P:y P:z S S P:z P:x S P:z S S -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 0.67 0.67 1.00 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H H C H C C H C C H H C C -11.461 2.00 519 A 6.37 6.14 5.60 3.39 3.19 2.96 2.60 2.57 2.57 2.55 2.49 2.41 2.22 2.20 2.17 2.07 1.91 1.89 1.80 1.69 1.30 1.24 1.19 1.14 1.11 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 2 1 1 P:z S S S P:z S P:y P:z P:x S S S S S P:x P:z S P:y P:x S P:z P:z P:x P:z S P:x -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 5.519 -6.581 -5.048 0.67 1.00 1.00 1.00 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 0.00 1.00 0.67 96 49 50 76 95 48 95 105 95 74 77 53 45 52 106 106 71 97 97 57 99 100 104 96 55 102 C H H H C H C C C H H H H H C C H C C H C C C C H C -11.454 2.00 520 A 3.11 2.94 2.76 2.72 2.55 2.26 2.12 1.94 1.90 1.86 1.79 1.61 1.50 1.49 1.48 1.48 1.47 1.39 1.29 1.23 1.23 1.23 1.20 1.19 1.15 1.14 1.13 1.11 1.11 1.06 1.06 1.05 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x P:z P:x S S P:x S P:x S S S P:z S S P:x P:z S P:y P:z S S S S P:z S P:z S S P:z P:z S P:x -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -9.955 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -9.955 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -9.955 -9.955 -6.581 -5.048 1.00 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.33 1.00 1.00 0.67 0.67 1.00 0.67 1.33 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.33 1.33 1.00 0.67 77 106 98 107 80 44 97 47 102 71 46 53 38 90 65 95 104 48 95 37 54 79 89 76 110 59 106 55 66 15 14 74 110 H C C C H H C H C H H H O H H C C H C O H H H H C H C H H O O H C -11.451 2.00 521 A 2.95 2.72 2.68 2.50 2.27 2.22 2.13 1.98 1.97 1.96 1.89 1.88 1.82 1.81 1.78 1.69 1.67 1.64 1.57 1.57 1.52 1.43 1.42 1.39 1.37 1.29 1.29 1.24 1.20 1.10 1.09 1.02 1.01 1 1 1 1 1 1 1 1 1 1 3 1 3 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 3 1 S S P:x P:x P:z P:z P:z S P:x P:z D:xz P:z D:xz P:z P:x P:z P:z P:z P:x D:xz D:xz P:z P:z P:z P:z P:x P:z P:y S P:x P:x D:xz S -6.581 -6.581 -9.955 -9.955 -9.955 -9.955 -5.048 -6.581 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -5.048 -5.048 -5.048 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -5.048 -5.048 -6.581 -9.955 -9.955 -4.382 -6.581 1.00 1.00 1.33 1.33 1.33 1.33 0.67 1.00 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.67 0.67 0.67 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.67 0.67 1.00 1.33 1.33 0.80 1.00 67 78 23 22 20 15 103 62 24 14 7 18 6 13 21 17 95 101 106 5 8 19 38 16 37 37 98 106 53 27 38 9 49 H H O O O O C H O O W O W O O O C C C W W O O O O O C C H O O W H -11.449 2.00 522 A 5.54 4.67 4.56 4.17 3.97 3.14 3.09 2.98 2.49 2.31 2.23 2.18 2.12 2.08 2.07 1.61 1.54 1.31 1.26 1.20 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:y S P:z P:y S P:z P:x S S S P:x S S S P:y P:x P:z P:y P:z -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -9.955 -5.048 1.00 1.00 0.67 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99 37 105 104 80 38 87 39 66 109 103 3 14 61 44 18 75 15 H H H H C H H C C C O H C O C C O C C H O H O H C C W O H H O H O -11.429 2.00 524 A 5.96 4.40 3.53 3.43 3.26 2.82 2.41 2.40 2.02 2.00 1.77 1.72 1.64 1.61 1.58 1.44 1.42 1.25 1.21 1.18 1.17 1.13 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 3 P:z S S S S P:z S P:y P:z P:y S P:y P:z P:x P:z S P:x P:y P:z P:z P:z P:z S D:yz -5.048 -6.581 -6.581 -6.581 -6.581 -9.955 -6.581 -5.048 -9.955 -9.955 -6.581 -5.048 -9.955 -5.048 -5.048 -6.581 -5.048 -9.955 -5.048 -5.048 -9.955 -5.048 -6.581 -4.382 0.67 1.00 1.00 1.00 1.00 1.33 1.00 0.67 1.33 1.33 1.00 0.67 1.33 0.67 0.67 1.00 0.67 1.33 0.67 0.67 1.33 0.67 1.00 0.80 108 84 82 81 87 13 70 107 16 28 71 109 20 104 104 69 107 29 101 103 17 109 77 2 C H H H H O H C O O H C O C C H C O C C O C H W -11.397 2.00 525 A 6.17 5.00 3.73 3.51 3.47 2.16 2.11 2.05 2.00 1.66 1.63 1.51 1.46 1.25 1.25 1.12 1.10 1.09 1.06 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:z P:y P:z P:x P:x S P:z P:y P:z P:x S P:z S S P:y S -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -6.581 -5.048 -9.955 -5.048 -9.955 -6.581 -9.955 -6.581 -6.581 -5.048 -6.581 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.67 1.33 0.67 1.33 1.00 1.33 1.00 1.00 0.67 1.00 34 40 42 38 41 37 33 36 51 98 39 101 35 60 33 70 43 96 47 O O O O O O O O H C O C O H O H H C H -11.355 2.00 526 A 6.13 3.43 3.21 3.05 3.01 2.65 2.13 2.05 1.97 1.94 1.93 1.88 1.78 1.61 1.54 1.47 1.25 1.25 1.24 1.23 1.13 1.11 1.09 1.06 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 1 1 1 3 3 3 P:x P:y P:x P:z P:z S P:y P:y S P:x S P:z P:z P:x P:x S D:xy P:x D:xy P:y P:y P:z D:xz D:yz D:xy -9.955 -9.955 -9.955 -9.955 -9.955 -6.581 -9.955 -5.048 -6.581 -9.955 -6.581 -9.955 -9.955 -5.048 -9.955 -6.581 -4.382 -9.955 -4.382 -9.955 -9.955 -5.048 -4.382 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.67 1.00 1.33 1.00 1.33 1.33 0.67 1.33 1.00 0.80 1.33 0.80 1.33 1.33 0.67 0.80 0.80 0.80 33 39 39 18 19 54 33 97 46 40 64 14 15 102 38 62 5 36 1 38 42 98 7 3 6 O O O O O H O C H O H O O C O H W O W O O C W W W -11.334 2.00 527 A 6.79 3.89 3.48 2.99 2.71 2.66 2.25 2.03 1.36 1.34 1.33 1.32 1.31 1.24 1.18 1.14 1.06 1.04 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:z P:z P:z P:z P:y P:y P:y P:x P:x S P:z P:z P:x P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -6.581 -9.955 -9.955 -9.955 -5.048 -5.048 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.67 0.67 41 35 34 37 38 17 16 40 27 30 24 39 87 36 42 21 106 103 O O O O O O O O O O O O H O O O C C -11.308 2.00 528 A 13.82 6.26 2.89 2.47 1.91 1.69 1.61 1.60 1.52 1.41 1.25 1.20 1.20 1.18 1.11 1.10 1.08 1.06 1.06 1.01 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 1 1 1 1 1 P:y P:y P:x P:z S P:x S P:y P:x P:x P:y P:z D:xy D:x2-y2 D:x2-y2 P:x P:x P:y S P:x -9.955 -9.955 -9.955 -9.955 -6.581 -9.955 -6.581 -9.955 -5.048 -9.955 -5.048 -9.955 -4.382 -4.382 -4.382 -9.955 -5.048 -5.048 -6.581 -9.955 1.33 1.33 1.33 1.33 1.00 1.33 1.00 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6.88 5.90 5.82 5.54 5.52 3.42 3.37 3.31 3.30 3.17 3.11 3.07 3.07 2.99 2.81 2.15 2.13 2.10 1.84 1.78 1.57 1.56 1.55 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 P:y P:y P:z P:z P:z P:z P:x P:x P:z P:z P:y P:z P:z P:y P:z P:z P:z P:z P:y P:y P:y P:x P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 24 21 23 22 26 25 30 27 21 24 22 31 32 23 29 28 30 27 28 30 29 28 27 29 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 -10.356 2.00 548 A 6.55 6.44 6.20 6.19 5.67 5.62 3.83 3.75 3.59 3.56 3.18 3.12 3.09 3.09 3.00 2.99 2.30 2.07 1.71 1.71 1.53 1.51 1.50 1.35 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:z P:z P:z P:z P:x P:x P:y P:y P:z P:z P:z P:z P:x P:x P:y P:y P:x P:z P:z P:x -9.955 -9.955 -9.955 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4.75 4.29 4.23 3.83 2.74 1.97 1.82 1.81 1.24 1.24 1.18 1.15 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:z P:z P:z P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 11 34 12 35 33 36 40 41 39 42 37 38 39 42 26 25 16 17 O O O O O O O O O O O O O O O O O O -9.745 2.00 556 A 7.18 7.08 7.08 6.97 4.78 4.69 4.66 4.65 4.57 4.53 4.38 4.22 2.49 2.45 2.26 2.25 2.12 2.11 2.00 1.98 1.16 1.15 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:y P:x P:z P:y P:x P:z P:z P:x P:x P:y P:y P:x P:x P:y P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 30 21 27 29 23 29 28 22 28 23 22 31 32 25 26 30 27 24 21 41 40 O O O O O O O O O O O O O O O O O O O O O O -9.707 2.00 557 A 6.99 6.83 5.94 5.78 5.73 5.59 4.62 4.46 2.74 2.73 2.63 2.60 2.33 2.12 1.92 1.72 1.66 1.56 1.55 1.52 1.44 1.44 1.42 1.31 1.10 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 P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y 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:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 17 16 18 19 15 14 20 13 26 25 32 31 24 21 30 27 39 23 29 33 28 22 42 36 13 20 O O O O O O O O O O O O O O O O O O O O O O O O O O -9.355 2.00 558 A 3.72 3.72 3.55 3.53 3.37 3.33 3.28 3.21 3.21 3.20 3.15 3.08 3.08 3.05 3.05 3.00 2.37 2.21 2.10 2.05 1.98 1.98 1.98 1.98 1.81 1.76 1.43 1.43 1.42 1.40 1.36 1.36 1.17 1.16 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 1 1 1 P:z P:z P:z P:z P:z P:z P:x P:z P:x P:z P:z P:z P:z P:y P:z P:y P:y P:y P:z P:x P:z P:z P:z P:x P:x P:x P:y P:y P:y P:y P:y P:y P:x P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 41 40 35 34 27 21 22 30 23 24 28 22 29 28 23 29 31 32 36 25 33 42 39 26 28 29 23 30 22 21 24 27 27 30 12 11 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.335 2.00 559 A 10.11 10.09 9.98 9.97 4.96 4.82 4.61 4.53 3.04 2.87 2.75 2.31 2.08 2.04 1.35 1.34 1.12 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 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 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 25 26 23 22 12 24 21 11 36 32 33 31 34 35 28 29 23 22 21 24 O O O O O O O O O O O O O O O O O O O O -9.323 2.00 560 A 9.58 9.53 8.47 8.37 5.01 4.86 4.83 4.29 3.05 3.03 2.74 2.51 2.05 2.05 2.00 1.97 1.53 1.53 1.37 1.27 1.17 1.13 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 P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 32 31 29 28 30 27 12 11 26 42 39 25 23 22 41 40 30 27 29 28 21 42 24 O O O O O O O O O O O O O O O O O O O O O O O -9.305 2.00 561 A 10.05 8.00 5.45 4.79 4.62 4.28 4.00 3.96 3.87 3.62 3.52 3.31 3.19 3.09 3.04 2.58 2.56 2.33 2.27 2.19 2.15 2.10 2.10 2.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:x P:y P:z P:x P:y P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 12 11 20 19 18 17 31 25 13 32 26 14 15 38 16 35 41 37 34 36 40 42 33 39 O O O O O O O O O O O O O O O O O O O O O O O O -9.224 2.00 562 A 15.54 13.28 9.10 7.67 5.82 4.25 4.17 3.07 2.80 2.73 2.34 2.06 1.66 1.64 1.51 1.40 1.13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:y P:x P:x P:x P:y P:y P:y P:x P:y P:y P:x P:x P:x P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 41 35 36 42 17 18 17 19 18 39 33 34 20 40 19 20 38 O O O O O O O O O O O O O O O O O -9.205 2.00 563 A 9.97 6.99 6.52 4.71 4.20 3.59 3.39 3.01 2.72 2.67 2.54 2.28 2.27 2.20 2.11 1.84 1.80 1.78 1.73 1.69 1.55 1.55 1.55 1.50 1.42 1.35 1.29 1.27 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 1 1 1 1 1 P:x P:x P:x P:x P:x P:y P:x P:x P:x P:x P:x P:y P:x P:x P:x P:z P:x P:x P:y P:x P:y P:y P:x P:y P:x P:z P:y P:y P:y P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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13 18 26 20 21 29 37 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.154 2.00 565 A 10.24 9.81 9.33 9.04 4.72 4.47 3.04 2.78 2.57 2.56 2.56 2.31 2.23 2.14 2.13 2.04 1.93 1.82 1.80 1.79 1.66 1.44 1.40 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:x P:y P:x P:y P:y P:x P:y P:z P:x P:y P:z P:x P:y P:y P:z P:z P:x P:x P:z P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 39 40 34 42 36 14 16 15 20 15 16 13 13 13 35 15 14 41 14 17 20 20 O O O O O O O O O O O O O O O O O O O O O O O -9.138 2.00 566 A 6.74 6.74 6.67 5.80 5.74 5.62 4.77 4.07 3.62 3.18 3.06 3.06 2.98 2.91 2.60 2.29 2.05 2.04 1.98 1.74 1.61 1.57 1.20 1.19 1.12 1.10 1.03 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:z P:z P:x P:z P:x P:y P:z P:y P:x P:y P:x P:z P:x P:z P:z P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 14 15 16 19 18 13 17 20 11 36 12 38 20 37 42 20 24 33 39 38 13 30 38 26 21 13 27 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 -9.114 2.00 567 A 8.18 5.57 3.19 3.19 3.16 3.12 2.98 2.65 2.64 2.50 2.47 2.44 2.33 2.29 2.24 2.19 2.17 1.99 1.92 1.87 1.71 1.61 1.53 1.52 1.49 1.48 1.31 1.29 1.27 1.23 1.21 1.19 1.15 1.11 1.10 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:y P:y P:y P:x P:z P:y P:y P:x P:x P:x P:z P:x P:x P:x P:x P:z P:x P:x P:z P:y P:y P:x P:y P:x P:x P:y P:z P:x P:y P:z P:x P:z P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 38 37 19 14 38 27 21 36 18 37 24 42 15 35 29 30 41 39 30 28 11 33 30 19 18 34 14 40 29 34 20 28 42 27 29 23 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 O O O -9.108 2.00 568 A 9.45 6.37 5.80 5.06 4.97 4.31 4.08 2.87 2.47 2.45 2.36 2.28 2.26 2.24 2.11 2.04 1.96 1.85 1.83 1.77 1.71 1.48 1.42 1.34 1.30 1.28 1.27 1.22 1.15 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 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:x P:x P:y P:x P:y P:y P:y P:x P:y P:z P:z P:y P:z P:z P:z P:x P:x P:y P:y P:x P:y P:y P:x P:y P:y P:x P:x P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 37 33 38 13 37 13 39 22 21 36 38 20 41 40 16 42 21 39 20 16 23 24 17 12 17 28 11 15 42 27 24 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 O O -9.102 2.00 569 A 8.66 8.26 7.24 6.07 5.51 4.08 3.74 3.35 3.27 3.11 2.66 2.33 2.06 1.95 1.87 1.83 1.81 1.71 1.59 1.48 1.41 1.30 1.29 1.23 1.20 1.14 1.11 1.06 1.03 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 1 1 1 1 3 1 3 3 1 3 1 3 1 1 1 P:x P:x P:y P:y P:x P:y P:y P:x P:y P:y P:x P:x P:x D:xz P:z D:yz P:x P:z P:x P:x D:xz P:y D:yz D:yz P:y D:xz P:z D:yz P:y P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 24 21 30 27 37 37 28 14 29 15 22 23 39 6 27 2 27 21 40 28 7 34 3 4 22 8 28 1 33 33 13 O O O O O O O O O O O O O W O W O O O O W O W W O W O W O O O -8.816 2.00 570 A 23.29 16.44 12.96 11.94 9.97 8.84 1.81 1.70 1.37 1.23 1.20 1.02 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 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 31 36 34 33 35 11 12 30 27 28 29 O O O O O O O O O O O O -8.814 2.00 571 A 20.56 19.14 12.22 11.77 10.48 9.63 1.85 1.66 1.39 1.39 1.18 1.11 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:z P:z P:z P:z P:y P:y P:y P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 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 25 42 39 40 41 11 12 24 21 22 23 O O O O O O O O O O O O -8.805 2.00 572 A 16.84 13.97 12.55 9.90 6.59 6.41 5.44 5.03 4.70 4.48 3.44 3.34 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:y P:x P:z P:z P:z P:z P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 31 25 26 32 33 35 39 41 42 40 34 36 O O O O O O O O O O O O -8.678 2.00 573 A 10.13 7.73 4.63 4.11 3.81 3.46 3.43 3.31 3.24 3.22 3.05 2.86 2.68 2.65 2.54 2.35 2.10 1.94 1.62 1.58 1.57 1.56 1.54 1.43 1.35 1.29 1.24 1.23 1.20 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 1 1 P:x P:x P:z P:z P:x P:z P:x P:y P:z P:x P:z P:x P:x P:z P:z P:y P:z P:x P:y P:y P:x P:x P:x P:z P:y P:x P:x P:y P:z P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 12 11 20 13 21 17 24 12 16 22 29 23 38 30 28 11 27 37 27 30 36 35 17 23 28 33 34 17 22 29 16 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.675 2.00 574 A 10.45 8.06 3.94 3.87 3.68 3.40 3.39 3.32 3.28 3.23 3.13 3.04 2.78 2.68 2.61 2.08 2.02 1.88 1.80 1.69 1.61 1.56 1.53 1.53 1.53 1.47 1.22 1.17 1.16 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 1 P:y P:y P:z P:z P:z P:y P:z P:z P:x P:y P:y P:z P:y P:x P:y P:z P:y P:y P:z P:z P:x P:y P:y P:x P:z P:y P:x P:y P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 12 11 18 19 24 28 15 14 12 29 27 21 38 11 30 23 37 42 30 22 23 18 39 22 27 41 19 15 40 21 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.538 2.00 575 A 8.49 8.18 8.14 7.70 3.58 3.31 2.73 2.46 2.36 2.21 2.21 1.90 1.90 1.87 1.77 1.75 1.72 1.68 1.58 1.55 1.52 1.44 1.39 1.37 1.36 1.25 1.25 1.22 1.18 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:y P:x P:x P:y P:y P:x P:x P:y P:x P:z P:x P:z P:y P:z P:y P:y P:x P:z P:x P:y P:z P:y P:z P:y P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 12 12 11 11 23 29 20 22 20 13 28 13 17 22 16 12 17 28 16 29 23 11 38 38 23 42 29 39 37 37 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.533 2.00 576 A 9.35 8.22 7.98 7.13 2.62 2.61 2.53 2.50 2.43 2.29 2.27 2.24 2.24 2.17 2.11 2.02 1.91 1.76 1.71 1.68 1.56 1.43 1.36 1.35 1.31 1.26 1.23 1.21 1.13 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 1 P:x P:y P:x P:y P:y P:y P:x P:y P:x P:x P:x P:y P:x P:x P:y P:x P:y P:y P:z P:x P:x P:y P:z P:x P:y P:x P:y P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 12 12 11 11 19 18 19 23 29 38 18 15 14 30 30 24 14 38 27 37 15 24 30 35 37 36 22 28 34 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 -8.514 2.00 577 A 25.17 22.33 5.16 4.93 4.22 3.83 2.55 2.31 2.29 1.99 1.65 1.65 1.58 1.50 1.44 1.40 1.19 1.17 1.16 1.15 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:y P:z P:z P:z P:x P:y P:z P:z P:z P:z P:z P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 12 11 24 21 30 27 38 24 37 29 28 30 21 25 23 31 32 26 22 27 O O O O O O O O O O O O O O O O O O O O -8.477 2.00 578 A 7.45 6.89 6.34 6.26 5.71 4.12 3.95 3.87 3.41 3.08 3.03 2.82 2.80 2.60 2.58 2.04 1.81 1.80 1.64 1.60 1.59 1.52 1.51 1.43 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:z P:x P:z P:z P:x P:z P:x P:x P:x P:y P:y P:x P:y P:x P:y P:y P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 11 22 23 21 24 28 20 27 17 16 12 13 29 30 13 28 11 16 29 37 13 30 27 20 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 -8.469 2.00 579 A 7.38 6.94 6.73 6.69 6.07 4.63 4.52 4.42 3.66 3.17 2.70 2.68 2.50 2.46 2.45 2.07 1.86 1.75 1.72 1.65 1.64 1.63 1.63 1.37 1.18 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y P:y P:z P:z P:y P:y P:y P:y P:y P:z P:z P:x P:x P:y P:x P:x P:x P:y P:x P:y P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 11 29 27 28 30 22 19 18 21 23 12 14 24 15 14 23 11 15 21 15 22 37 24 19 28 39 O O O O O O O O O O O O O O O O O O O O O O O O O O -8.401 2.00 580 A 13.87 13.21 12.99 11.64 7.46 7.13 3.88 3.80 3.69 3.62 3.05 2.73 1.60 1.52 1.49 1.35 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:x P:x P:y P:x P:y P:x P:x P:x P:y P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 13 20 16 17 26 25 32 22 31 21 23 24 28 27 30 29 O O O O O O O O O O O O O O O O -8.394 2.00 581 A 14.51 13.86 12.05 11.81 7.35 6.74 4.15 4.08 3.57 3.55 3.17 2.37 2.07 1.90 1.56 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:x P:y P:y P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 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 15 19 18 32 31 28 27 26 25 29 30 22 21 23 O O O O O O O O O O O O O O O -8.388 2.00 582 A 23.05 19.23 5.43 5.37 5.30 5.25 4.19 3.56 1.54 1.52 1.51 1.48 1.40 1.40 1.39 1.33 1.31 1.27 1.26 1.21 1.04 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:x P:y P:x P:y P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:x P:z P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 11 12 31 25 32 26 37 38 33 39 42 36 40 34 35 21 41 22 28 27 29 27 O O O O O O O O O O O O O O O O O O O O O O -8.350 2.00 583 A 9.42 9.25 8.75 8.64 8.00 7.89 7.52 7.37 6.05 5.49 4.85 4.39 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:x P:y P:y P:y P:x P:x P:x P:x P:y P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 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 30 21 27 28 29 22 23 25 26 31 32 14 O O O O O O O O O O O O O -8.324 2.00 584 A 13.01 12.42 11.52 11.18 5.62 5.28 5.26 5.17 5.09 4.91 4.70 4.70 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 31 32 25 26 17 15 18 16 13 19 14 20 O O O O O O O O O O O O -3.734 0.00 585 A 8.50 8.50 8.45 8.44 8.43 8.42 8.39 8.34 3.24 3.22 3.10 3.07 2.86 2.81 2.75 2.73 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 1 D:yz D:yz D:xz D:yz D:xz D:xz D:yz D:xz P:x P:x P:y P:y P:y P:y P:x P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 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 2 3 7 1 5 6 4 8 22 23 28 29 27 30 21 24 W W W W W W W W O O O O O O O O -2.792 0.00 586 A 16.69 16.43 15.19 15.06 2.91 2.90 2.62 2.58 1.76 1.75 1.72 1.70 1.53 1.51 1.42 1.36 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 D:yz D:yz D:yz D:yz P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:z P:z -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 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 1.33 1.33 3 2 4 1 17 16 13 20 14 19 29 28 30 27 15 18 W W W W O O O O O O O O O O O O -2.780 0.00 587 A 16.92 16.49 14.98 14.72 3.09 3.03 2.60 2.57 1.89 1.86 1.65 1.65 1.43 1.42 1.38 1.36 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 D:xz D:xz D:xz D:xz P:z P:z P:z P:z P:x P:x P:z P:z P:z P:x P:z P:x -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 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 1.33 1.33 7 6 8 5 18 15 14 19 23 22 17 16 13 24 20 21 W W W W O O O O O O O O O O O O -2.508 0.00 588 A 23.05 18.89 3.48 3.36 3.09 2.92 2.92 2.89 2.73 2.61 2.57 2.46 2.44 2.40 2.36 2.34 2.26 2.07 2.00 1.79 1.68 1.47 1.30 1.07 1.05 3 3 3 3 3 3 3 3 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 D:xy D:xy D:xz D:yz D:xz D:yz D:xz D:yz P:z P:z P:z P:z P:z D:yz D:xz P:z P:z P:z P:x P:y P:x P:y P:y P:x P:y -4.382 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1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 9 10 21 27 5 1 24 28 2 30 8 4 6 22 29 13 14 3 15 23 16 7 20 19 18 17 W W O O W W O O W O W W W O O O O W O O O W O O O O -2.055 0.00 590 A 14.88 13.89 12.44 12.12 6.00 5.70 4.81 4.62 4.33 4.23 2.26 2.22 3 3 3 3 1 1 1 1 3 3 1 1 D:xz D:xz D:xz D:xz P:z P:z P:z P:z D:xz D:xz P:x P:x -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 3 2 1 4 35 34 33 36 10 9 38 37 W W W W O O O O W W O O -2.047 0.00 591 A 14.71 13.85 12.25 11.96 6.02 5.73 4.65 4.52 4.47 4.31 2.28 2.21 3 3 3 3 1 1 1 1 3 3 1 1 D:yz D:yz D:yz D:yz P:z P:z P:z P:z D:yz D:yz P:y P:y -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 7 6 5 8 41 40 39 42 10 9 38 37 W W W W O O O O W W O O -2.039 0.00 592 A 6.65 6.60 6.59 6.53 5.28 5.23 5.10 5.01 4.15 4.14 4.14 4.12 3.22 3.04 2.38 2.18 1.98 1.96 1.64 1.61 1.59 1.55 1.42 1.41 1.32 1.30 1.27 1.25 3 3 3 3 3 3 3 3 1 1 1 1 3 3 3 3 3 3 1 1 1 1 1 1 1 1 3 3 D:xz D:yz D:xz D:yz D:xz D:yz D:xz D:yz P:y P:x P:x P:y D:xy D:xy D:xy D:xy D:xy D:xy P:x P:x P:y P:y P:y P:y P:x P:x D:xy D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 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 0.80 0.80 7 3 6 2 5 1 8 4 31 25 26 32 4 8 1 5 3 7 23 22 29 28 30 27 24 21 6 2 W W W W W W W W O O O O W W W W W W O O O O O O O O W W -1.847 0.00 593 A 15.15 13.82 12.81 12.12 6.30 6.06 5.96 5.86 1.71 1.62 1.47 1.42 1.36 1.28 3 3 3 3 1 1 1 1 3 3 3 3 3 3 D:xy D:xy D:xy D:xy P:y P:x P:x P:y D:xy D:xy D:yz D:xz D:xy D:xy -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 3 7 8 4 35 42 41 36 5 1 4 8 2 6 W W W W O O O O W W W W W W -1.815 0.00 594 A 14.48 13.29 12.43 11.70 6.21 6.17 5.96 5.89 2.30 2.28 1.59 1.30 3 3 3 3 1 1 1 1 3 3 3 3 D:xy D:xy D:xy D:xy P:x P:y P:y P:x D:xz D:yz D:xz D:yz -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 2 6 5 1 39 34 33 40 5 1 8 4 W W W W O O O O W W W W -1.745 0.00 595 A 9.83 9.81 8.25 7.70 6.60 6.60 5.34 4.96 3.77 3.71 3.02 2.83 2.54 2.50 1.90 1.77 1.35 1.32 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 1 1 1 D:xz D:xz D:xz D:xz D:yz D:yz D:yz D:yz P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 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 2 3 4 1 7 6 8 5 34 35 36 33 40 41 42 39 12 11 W W W W W W W W O O O O O O O O O O -1.697 0.00 596 A 9.74 9.70 8.11 7.60 6.78 6.67 5.25 4.96 3.87 3.79 3.09 2.92 2.62 2.54 2.10 1.99 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 1 D:yz D:yz D:yz D:yz D:xz D:xz D:xz D:xz P:z P:z P:z P:z P:z P:z P:z P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 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 6 7 8 5 2 3 4 1 40 41 42 39 34 35 36 33 W W W W W W W W O O O O O O O O -1.588 0.00 597 A 12.45 12.43 10.12 9.94 5.27 5.27 3.53 3.43 2.30 2.28 1.72 1.69 1.67 1.62 1.61 1.53 1.45 1.44 1.31 1.29 3 3 3 3 1 1 3 3 3 3 1 3 1 1 1 3 1 1 1 1 D:yz D:yz D:yz D:yz P:y P:y D:xz D:xz D:xz D:xz P:z D:xy P:z P:y P:y D:xy P:z P:z P:x P:x -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 2 3 1 4 31 32 7 6 8 5 17 4 16 29 28 1 20 13 25 26 W W W W O O W W W W O W O O O W O O O O -1.580 0.00 598 A 12.23 11.80 10.97 10.49 5.33 5.32 3.14 2.98 2.83 2.62 1.76 1.67 1.66 1.62 1.58 1.47 1.38 1.35 1.17 3 3 3 3 1 1 3 3 3 3 1 1 1 1 1 1 1 1 3 D:xz D:xz D:xz D:xz P:x P:x D:yz D:yz D:yz D:yz P:z P:z P:x P:x P:z P:z P:y P:y D:xy -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 6 7 5 8 26 25 1 4 2 3 15 14 22 23 18 19 32 31 8 W W W W O O W W W W O O O O O O O O W -1.306 0.00 599 A 12.46 12.03 6.23 5.95 5.53 5.48 4.79 4.62 2.40 2.32 2.27 2.24 2.21 2.16 1.85 1.83 1.13 1.10 3 3 3 3 3 3 1 1 1 3 1 3 1 1 1 1 4 4 D:xz D:xz D:xz D:xz D:xz D:xz P:x P:x P:z D:yz P:z D:yz P:x P:x P:z P:z D:xz D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 4.723 4.723 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.00 0.00 9 10 1 4 3 2 37 38 33 9 36 10 31 32 34 35 9 10 W W W W W W O O O W O W O O O O W W -1.303 0.00 600 A 12.14 11.94 6.23 5.91 5.37 5.35 4.70 4.61 2.35 2.21 2.17 2.13 1.90 1.86 1.83 1.81 1.12 1.11 3 3 3 3 3 3 1 1 1 1 1 1 3 3 1 1 4 4 D:yz D:yz D:yz D:yz D:yz D:yz P:y P:y P:z P:z P:y P:y D:xz D:xz P:z P:z D:yz D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 4.723 4.723 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 0.80 1.33 1.33 0.00 0.00 9 10 5 8 6 7 37 38 39 42 25 26 9 10 40 41 9 10 W W W W W W O O O O O O W W O O W W -1.182 0.00 601 A 6.23 5.91 5.29 5.01 4.43 4.39 4.27 4.17 2.80 2.78 2.70 2.68 2.43 2.41 2.29 2.25 2.02 2.00 1.98 1.88 1.72 1.61 1.51 1.48 1.40 1.38 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 3 1 3 1 1 1 1 1 1 1 D:xz D:xz D:yz D:yz D:xz D:xz D:yz D:yz D:z2 D:z2 D:z2 D:z2 P:z P:z P:z P:z D:x2-y2 P:z D:x2-y2 P:z P:z P:z P:x P:x P:y P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 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0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 7 8 42 41 8 17 19 18 20 9 6 5 10 W W O O W O O O O W W W W -1.069 0.00 604 A 6.58 4.74 4.24 3.99 3.80 3.57 3.37 3.34 2.85 2.52 2.23 2.15 2.10 2.04 1.87 1.73 1.59 1.57 1.36 1.34 1.30 1.27 1.27 1.23 1.21 1.18 1.18 1.14 1.09 1.05 1.01 3 3 3 3 3 3 3 3 3 3 3 1 1 3 1 1 3 1 1 1 3 3 1 3 1 3 3 1 1 1 1 D:xy D:xy D:xz D:yz D:yz D:yz D:xz D:xz D:yz D:xy D:xz P:y P:y D:xy P:z P:z D:z2 P:z P:z P:z D:yz D:z2 P:z D:z2 P:z D:x2-y2 D:z2 P:y P:z P:x P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 2 1 3 7 6 8 2 4 5 6 1 34 33 5 42 36 5 39 33 35 1 4 41 8 40 1 1 26 34 32 40 W W W W W W W W W W W O O W O O W O O O W W O W O W W O O O O -1.035 0.00 605 A 20.49 19.37 7.09 6.94 2.72 2.37 2.09 1.89 1.79 1.64 1.64 1.61 1.48 1.41 1.28 1.05 3 3 1 1 1 1 3 3 3 1 3 1 3 3 4 3 D:xy D:xy P:y P:y P:y P:y D:xy D:xy D:xy P:y D:xz P:y D:xy D:xz D:xy D:yz -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 4.723 -4.382 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.00 0.80 2 1 33 34 14 15 5 4 3 13 2 16 6 1 1 10 W W O O O O W W W O W O W W W W -1.029 0.00 606 A 19.57 16.65 6.78 6.48 3.33 3.26 2.41 1.96 1.91 1.89 1.66 1.62 1.12 1.11 1.03 1.02 1.01 3 3 1 1 3 3 3 1 1 1 3 1 3 4 3 1 1 D:xy D:xy P:x P:x D:xy D:xy D:xz P:x P:x P:x D:yz P:x D:yz D:xy D:yz P:x P:x -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 4.723 -4.382 -9.955 -9.955 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.00 0.80 1.33 1.33 6 5 40 39 7 8 5 15 16 13 6 14 5 5 7 42 41 W W O O W W W O O O W O W W W O O -1.006 0.00 607 A 9.85 9.16 4.26 3.89 3.75 3.74 3.67 3.50 3.40 3.21 2.91 2.50 2.01 1.98 1.95 1.84 1.83 1.81 1.69 1.61 1.60 1.48 1.43 1.42 1.38 1.36 1.23 1.14 1.10 1.06 1.04 1.01 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 1 3 4 D:xy D:xy D:xy D:xz D:yz D:yz D:xz D:xz D:yz D:yz D:xy D:xz P:x P:y P:x P:y P:y P:x P:y P:z P:x P:z P:z P:z P:z P:z P:z P:x D:xy P:z D:xy D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 4.723 -9.955 -4.382 4.723 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 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 0.80 0.00 10 9 5 7 4 3 6 8 2 1 6 5 24 30 21 29 27 23 28 15 22 18 19 14 17 20 16 39 10 13 1 9 W W W W W W W W W W W W O O O O O O O O O O O O O O O O W O W W -0.724 0.00 608 A 22.94 22.94 7.57 7.55 3.24 3.24 2.69 2.66 2.38 2.37 2.22 2.21 1.87 1.86 1.29 1.27 3 3 1 1 1 1 3 3 4 4 1 1 1 1 3 3 D:yz D:yz P:y P:y P:y P:y D:yz D:yz D:yz D:yz P:y P:y P:z P:z D:yz D:yz -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 4.723 4.723 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.00 0.00 1.33 1.33 1.33 1.33 0.80 0.80 9 10 37 38 23 22 6 7 9 10 21 24 24 21 8 5 W W O O O O W W W W O O O O W W -0.721 0.00 609 A 23.22 22.81 7.66 7.51 3.25 3.13 2.37 2.33 2.32 2.24 2.22 1.97 1.86 1.83 1.73 1.57 1.01 3 3 1 1 1 1 4 4 1 3 1 3 1 1 3 3 1 D:xz D:xz P:x P:x P:x P:x D:xz D:xz P:x D:xz P:x D:xz P:z P:z D:xz D:xz P:z -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 4.723 4.723 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 0.80 0.80 1.33 1.33 1.33 1.33 0.00 0.00 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 9 10 37 38 28 29 9 10 27 2 30 3 27 30 1 4 28 W W O O O O W W O W O W O O W W O -0.549 0.00 610 A 11.27 11.25 6.61 6.44 5.00 4.98 3.46 3.45 3.13 3.11 2.52 2.51 2.39 2.35 2.31 2.29 1.61 1.61 1.48 1.42 3 3 3 3 3 3 1 1 1 1 1 1 3 3 1 1 1 1 1 1 D:yz D:yz D:yz D:yz D:yz D:yz P:y P:y P:y P:y P:y P:y D:z2 D:z2 P:y P:y P:z P:z P:z P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 10 9 6 7 8 5 38 37 22 23 21 24 5 8 26 25 39 42 40 41 W W W W W W O O O O O O W W O O O O O O -0.546 0.00 611 A 11.78 11.10 6.33 6.32 5.00 4.95 3.61 3.41 3.18 3.06 2.65 2.56 2.26 2.25 2.25 2.25 1.58 1.58 1.40 1.37 3 3 3 3 3 3 1 1 1 1 1 1 3 1 1 3 1 1 1 1 D:xz D:xz D:xz D:xz D:xz D:xz P:x P:x P:x P:x P:x P:x D:z2 P:x P:x D:z2 P:z P:z P:z P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 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 1.33 0.80 1.33 1.33 1.33 1.33 10 9 3 2 4 1 38 37 29 28 30 27 1 31 32 4 33 36 34 35 W W W W W W O O O O O O W O O W O O O O -0.442 0.00 612 A 10.70 10.53 8.68 8.10 2.67 2.37 2.33 2.32 2.27 2.22 2.02 1.99 1.97 1.94 1.87 1.83 1.76 1.70 1.61 1.60 1.30 1.30 1.15 1.14 1.11 1.08 3 3 3 3 1 1 1 1 1 1 1 1 1 1 3 3 1 3 1 3 3 3 3 3 3 3 D:xy D:xy D:xy D:xy P:x P:y P:y P:y P:x P:y P:x P:x P:x P:x D:xy D:xy P:y D:xy P:y D:xy D:yz D:xz D:yz D:xy D:xz D:xy -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 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 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 4 8 7 3 20 19 18 36 42 20 18 41 17 19 1 5 35 9 17 10 2 6 3 6 7 2 W W W W O O O O O O O O O O W W O W O W W W W W W W -0.341 0.00 613 A 9.38 9.32 8.19 7.74 3.37 3.25 2.78 2.73 2.45 2.19 2.11 2.10 2.05 2.03 1.92 1.90 1.85 1.74 1.71 1.58 1.24 1.21 3 3 3 3 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 3 3 D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xy P:x P:y P:y P:y P:x P:y P:x P:x P:x P:x 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26 32 31 25 20 15 14 16 7 W W W W W W W W W W W W W W O O O O O O O O O W -0.052 0.00 615 A 11.42 11.24 10.83 10.53 2.86 2.77 2.76 2.69 2.02 1.96 1.90 1.88 1.81 1.81 1.58 1.57 1.56 1.55 1.40 1.36 1.25 3 3 3 3 5 5 5 5 3 1 1 3 1 1 2 2 2 2 3 3 2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:x P:y P:y P:x D:z2 P:y P:x D:z2 P:y P:x S S S S D:z2 D:z2 S -4.382 -4.382 -4.382 -4.382 0.094 0.094 0.094 0.094 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -27.198 -27.198 -27.198 -27.198 -4.382 -4.382 -27.198 0.80 0.80 0.80 0.80 0.00 0.00 0.00 0.00 0.80 1.33 1.33 0.80 1.33 1.33 2.00 2.00 2.00 2.00 0.80 0.80 2.00 3 7 4 8 3 7 8 4 8 42 36 4 41 35 17 20 19 18 3 7 12 W W W W W W W W W O O W O O O O O O W W O -0.024 0.00 616 A 11.95 11.87 11.42 11.27 3.01 2.98 2.94 2.87 2.16 2.14 2.11 2.07 1.64 1.54 1.53 1.51 1.50 1.50 1.50 1.13 1.11 -1.07 3 3 3 3 5 5 5 5 1 1 1 1 3 2 2 2 2 3 2 3 3 3 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:y P:x P:x P:y P:y P:x P:x P:y D:z2 S S S S D:z2 S D:z2 D:z2 S -4.382 -4.382 -4.382 -4.382 0.094 0.094 0.094 0.094 -9.955 -9.955 -9.955 -9.955 -4.382 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 -4.382 -4.382 23.286 0.80 0.80 0.80 0.80 0.00 0.00 0.00 0.00 1.33 1.33 1.33 1.33 0.80 2.00 2.00 2.00 2.00 0.80 2.00 0.80 0.80 0.00 6 2 1 5 5 2 1 6 39 33 34 40 5 14 15 16 11 1 13 2 6 11 W W W W W W W W O O O O W O O O O W O W W O 0.241 0.00 617 A 4.90 -4.35 -4.32 -4.11 4.03 -3.71 3.20 3.08 3.00 2.97 2.90 2.90 2.89 -2.85 2.71 2.58 2.58 2.57 2.54 2.47 2.44 2.33 2.31 2.30 2.30 2.24 2.09 2.08 2.06 2.05 1.96 1.94 1.89 -1.82 -1.79 1.76 -1.73 -1.73 1.72 -1.68 -1.64 1.63 -1.63 1.60 -1.59 1.58 1.56 1.54 1.52 1.48 -1.47 1.46 1.44 1.43 1.39 1.39 1.37 1.37 1.34 -1.33 1.31 -1.31 1.30 -1.27 1.24 1.24 1.22 1.21 1.21 1.19 1.19 1.17 1.16 1.15 1.15 1.13 1.12 1.11 1.09 1.06 7 2 2 2 7 2 7 7 7 7 2 2 2 2 2 7 2 2 2 2 2 2 2 7 2 2 2 7 2 2 2 7 2 2 2 1 1 2 2 1 2 1 2 1 1 1 2 1 1 1 1 1 2 2 1 1 1 2 2 2 6 1 1 2 3 1 1 1 2 3 2 2 3 2 1 1 3 3 2 3 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S D:x2-y2 S S S S D:x2-y2 S S D:x2-y2 S S S D:x2-y2 D:x2-y2 S D:x2-y2 1.678 3.073 3.073 3.073 1.678 3.073 1.678 1.678 1.678 1.678 3.073 3.073 3.073 3.073 3.073 1.678 3.073 3.073 3.073 3.073 3.073 3.073 3.073 1.678 3.073 3.073 3.073 1.678 3.073 3.073 3.073 1.678 3.073 3.073 3.073 -6.581 -6.581 3.073 3.073 -6.581 3.073 -6.581 3.073 -6.581 -6.581 -6.581 3.073 -6.581 -6.581 -6.581 -6.581 -6.581 3.073 3.073 -6.581 -6.581 -6.581 3.073 3.073 3.073 -6.463 -6.581 -6.581 3.073 -4.382 -6.581 -6.581 -6.581 3.073 -4.382 3.073 3.073 -4.382 3.073 -6.581 -6.581 -4.382 -4.382 3.073 -4.382 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 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 1.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 1.00 1.00 1.00 0.00 1.00 1.00 1.00 1.00 1.00 0.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 2.00 1.00 1.00 0.00 0.80 1.00 1.00 1.00 0.00 0.80 0.00 0.00 0.80 0.00 1.00 1.00 0.80 0.80 0.00 0.80 3 87 54 64 7 70 2 4 1 10 79 90 50 81 86 6 72 45 58 57 49 85 65 8 74 53 66 5 76 71 88 9 80 51 56 79 87 89 52 54 78 86 47 50 64 90 59 45 72 57 70 49 48 55 58 65 85 75 83 60 3 81 53 73 8 76 74 66 77 4 63 82 7 43 71 88 3 1 44 5 W H H H W H W W W W H H H H H W H H H H H H H W H H H W H H H W H H H H H H H H H H H H H H H H H H H H H H H H H H H H W H H H W H H H H W H H W H H H W W H W 0.381 0.00 618 A 5.99 5.47 -5.40 -4.87 4.69 -4.65 4.35 4.25 3.88 3.87 3.85 3.85 -3.80 3.58 3.43 3.28 3.16 3.00 2.92 2.85 2.82 2.79 2.79 2.71 -2.69 2.68 -2.65 -2.60 2.57 -2.54 -2.53 2.40 -2.39 2.38 2.32 2.28 2.27 -2.24 2.23 2.22 2.22 2.20 2.15 -2.09 2.09 2.07 1.97 -1.96 1.95 1.86 -1.84 1.76 1.75 1.75 1.74 1.72 1.65 1.60 1.54 1.52 1.52 1.49 1.48 1.47 -1.44 1.38 1.37 -1.35 1.32 1.32 1.31 1.31 -1.30 -1.24 1.23 -1.23 1.22 1.22 1.22 1.17 1.13 -1.12 -1.08 1.07 -1.06 -1.02 7 2 2 2 2 2 2 7 2 7 6 2 2 2 2 1 2 2 1 2 1 2 2 7 2 2 2 2 6 2 1 2 1 2 2 2 1 2 1 2 2 2 1 1 2 2 1 2 2 1 1 1 1 2 1 6 1 6 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 1 2 1 2 1 1 1 2 1 3 2 3 3 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S 1.678 3.073 3.073 3.073 3.073 3.073 3.073 1.678 3.073 1.678 -6.463 3.073 3.073 3.073 3.073 -6.581 3.073 3.073 -6.581 3.073 -6.581 3.073 3.073 1.678 3.073 3.073 3.073 3.073 -6.463 3.073 -6.581 3.073 -6.581 3.073 3.073 3.073 -6.581 3.073 -6.581 3.073 3.073 3.073 -6.581 -6.581 3.073 3.073 -6.581 3.073 3.073 -6.581 -6.581 -6.581 -6.581 3.073 -6.581 -6.463 -6.581 -6.463 -6.581 3.073 -6.581 3.073 -6.581 -6.581 -6.581 -6.581 -6.581 3.073 -6.581 -6.581 -6.581 3.073 -6.581 -6.581 3.073 -6.581 3.073 -6.581 -6.581 -6.581 3.073 -6.581 11.266 3.073 11.266 11.266 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 1.00 1.00 1.00 0.00 1.00 2.00 1.00 2.00 1.00 0.00 1.00 0.00 1.00 1.00 1.00 1.00 1.00 0.00 1.00 1.00 1.00 0.00 1.00 1.00 0.00 1.00 0.00 1.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 3 50 64 51 57 54 65 4 74 2 3 52 56 90 53 50 63 55 57 66 65 44 48 1 60 59 89 47 4 70 51 61 64 71 43 75 52 73 53 88 46 58 74 54 62 45 90 87 85 66 56 59 55 49 63 2 48 1 44 77 58 67 71 45 89 43 75 78 61 49 88 82 60 47 69 73 80 46 85 62 68 70 96 84 101 99 W H H H H H H W H W W H H H H H H H H H H H H W H H H H W H H H H H H H H H H H H H H H H H H H H H H H H H H W H W H H H H H H H H H H H H H H H H H H H H H H H H C H C C 0.392 0.00 619 A -5.90 5.48 5.04 4.74 -4.74 4.49 -4.17 -4.15 4.14 3.95 3.94 3.41 3.35 3.27 3.27 3.26 3.25 3.22 3.10 2.99 2.97 2.92 -2.89 -2.84 2.78 2.74 -2.62 -2.58 2.56 2.54 2.49 2.46 2.41 2.36 -2.36 2.31 2.26 2.24 2.23 -2.11 2.11 2.08 2.03 -1.99 -1.99 1.95 1.95 1.94 1.94 1.91 -1.88 1.87 1.77 1.73 1.69 -1.68 1.67 1.64 1.64 1.60 1.58 -1.56 1.51 1.48 1.48 1.48 1.40 1.39 1.31 1.31 1.31 -1.28 -1.25 1.21 1.18 1.18 -1.13 1.11 1.10 -1.10 1.09 -1.08 -1.06 1.05 1.02 2 7 2 2 2 2 2 2 7 2 2 7 6 2 1 2 2 2 2 2 1 2 2 2 1 2 1 2 1 2 7 2 2 2 2 2 1 2 6 1 2 1 2 1 1 6 2 1 1 1 2 1 1 1 2 2 2 1 6 2 1 1 1 2 1 2 1 1 2 1 1 1 1 2 1 1 3 1 2 2 2 1 3 2 2 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S 3.073 1.678 3.073 3.073 3.073 3.073 3.073 3.073 1.678 3.073 3.073 1.678 -6.463 3.073 -6.581 3.073 3.073 3.073 3.073 3.073 -6.581 3.073 3.073 3.073 -6.581 3.073 -6.581 3.073 -6.581 3.073 1.678 3.073 3.073 3.073 3.073 3.073 -6.581 3.073 -6.463 -6.581 3.073 -6.581 3.073 -6.581 -6.581 -6.463 3.073 -6.581 -6.581 -6.581 3.073 -6.581 -6.581 -6.581 3.073 3.073 3.073 -6.581 -6.463 3.073 -6.581 -6.581 -6.581 3.073 -6.581 3.073 -6.581 -6.581 3.073 -6.581 -6.581 -6.581 -6.581 3.073 -6.581 -6.581 11.266 -6.581 3.073 3.073 3.073 -6.581 11.266 3.073 3.073 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 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 2.00 1.00 0.00 1.00 0.00 1.00 1.00 2.00 0.00 1.00 1.00 1.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 1.00 2.00 0.00 1.00 1.00 1.00 0.00 1.00 0.00 1.00 1.00 0.00 1.00 1.00 1.00 1.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 70 7 72 76 87 79 78 81 6 58 86 8 7 77 72 71 49 68 45 80 76 75 54 60 79 83 70 73 86 67 5 85 59 74 64 69 58 88 8 87 82 71 66 81 78 6 84 75 45 49 47 77 68 80 43 89 90 85 5 61 74 60 88 48 83 55 59 67 62 66 69 54 73 53 82 90 103 84 44 56 63 64 106 46 52 H W H H H H H H W H H W W H H H H H H H H H H H H H H H H H W H H H H H H H W H H H H H H W H H H H H H H H H H H H W H H H H H H H H H H H H H H H H H C H H H H H C H H 0.565 0.00 620 A 2.89 2.84 2.84 2.82 2.76 2.71 2.61 2.60 2.52 2.52 2.48 2.47 2.46 2.42 2.42 2.36 2.36 -2.32 2.30 2.29 2.29 2.20 2.20 -2.07 2.01 1.92 1.84 1.83 1.80 1.73 1.72 1.71 1.69 1.68 1.68 1.68 1.67 1.63 -1.57 1.56 1.54 1.53 -1.50 1.50 1.50 -1.50 1.49 1.48 1.47 1.46 -1.44 1.44 1.43 1.42 1.41 1.41 1.40 1.39 1.39 1.38 -1.38 1.35 1.34 1.34 1.31 1.27 -1.27 -1.25 -1.24 -1.24 1.22 -1.21 -1.20 -1.18 1.15 1.14 -1.13 1.12 -1.11 1.10 1.09 -1.09 1.05 1.03 1.03 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 1 2 1 3 2 1 2 2 1 3 2 2 2 2 2 3 1 1 1 3 1 2 1 2 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 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 -6.581 3.073 3.073 -6.581 3.073 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 3.073 -6.581 -6.581 3.073 -6.581 -6.581 -6.581 3.073 -6.581 -6.581 3.073 3.073 -6.581 -6.581 3.073 3.073 -6.581 -6.581 3.073 -6.581 -6.581 -6.581 -6.581 3.073 -6.581 11.266 3.073 -6.581 3.073 3.073 -6.581 11.266 3.073 3.073 3.073 3.073 3.073 11.266 -6.581 -6.581 -6.581 11.266 -6.581 3.073 -6.581 3.073 -6.581 -6.581 -6.581 -6.581 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 1.00 1.00 0.00 1.00 1.00 1.00 0.00 1.00 1.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 1.00 0.00 1.00 1.00 1.00 1.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 1.00 0.00 1.00 0.00 1.00 0.00 1.00 1.00 1.00 1.00 82 88 75 84 48 83 59 46 77 52 55 43 62 90 69 61 44 89 85 67 80 63 68 73 88 49 86 75 74 84 90 59 48 82 83 58 52 85 60 46 55 80 87 77 43 47 57 62 44 50 78 61 69 79 67 68 49 86 76 63 108 45 74 66 53 58 98 56 54 51 65 81 101 89 57 50 103 79 64 76 71 73 45 53 66 H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H C H H H H H C H H H H H C H H H C H H H H H H H H 0.771 0.00 621 A 16.41 14.95 14.69 13.60 3.20 2.93 1.96 1.83 1.80 1.70 1.60 1.55 1.34 1.23 -1.20 1.05 1.02 7 6 7 6 3 3 5 3 3 5 3 3 1 1 6 3 3 S S S S D:z2 D:z2 P:z D:z2 D:z2 P:z D:z2 D:z2 P:z P:z S D:z2 D:z2 1.678 -6.463 1.678 -6.463 -4.382 -4.382 0.094 -4.382 -4.382 0.094 -4.382 -4.382 -9.955 -9.955 -6.463 -4.382 -4.382 0.00 2.00 0.00 2.00 0.80 0.80 0.00 0.80 0.80 0.00 0.80 0.80 1.33 1.33 2.00 0.80 0.80 10 10 9 9 10 9 10 7 3 9 6 2 38 37 3 4 8 W W W W W W W W W W W W O O W W W 0.855 0.00 622 A 20.13 17.45 7.63 7.37 6.46 6.36 4.09 3.06 2.59 2.40 2.22 2.20 2.13 2.13 2.00 1.91 1.90 1.36 1.33 1.24 1.24 1.21 1.16 -1.01 7 7 7 7 6 6 7 7 7 2 2 2 6 6 7 2 2 1 7 1 1 6 2 2 S S S S S S S S S S S S S S S S S S S S S S S P:z 1.678 1.678 1.678 1.678 -6.463 -6.463 1.678 1.678 1.678 3.073 3.073 3.073 -6.463 -6.463 1.678 3.073 3.073 -6.581 1.678 -6.581 -6.581 -6.463 3.073 5.519 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 2.00 0.00 0.00 9 10 1 5 10 9 4 8 6 71 66 53 1 5 2 80 85 71 3 66 53 4 88 109 W W W W W W W W W H H H W W W H H H W H H W H C 0.984 0.00 623 A 5.86 5.52 5.46 5.18 5.18 5.12 4.89 4.68 4.68 4.67 4.43 4.21 4.18 3.84 3.70 3.44 3.42 3.21 3.17 3.10 2.98 2.96 2.96 2.90 2.90 2.87 2.84 2.64 2.60 2.58 2.57 2.55 2.54 2.49 2.40 -2.39 -2.20 -2.14 2.07 -2.03 -1.90 -1.90 -1.85 1.82 1.78 1.70 -1.64 -1.60 1.58 -1.55 -1.53 1.48 -1.47 -1.45 -1.44 -1.33 -1.31 -1.31 1.28 1.26 1.15 -1.14 -1.10 -1.10 1.07 -1.06 -1.05 1.05 -1.01 2 2 2 2 2 2 2 7 6 2 7 2 6 6 7 6 1 1 6 7 1 2 6 1 2 1 1 6 1 2 1 1 7 7 6 2 2 2 7 2 2 2 2 1 1 1 2 2 7 2 2 2 2 2 2 2 2 2 2 2 2 1 2 1 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S P:y P:x P:x S P:y P:y P:x P:x S S S S P:x S P:y P:y S P:y S P:x P:y S S S S S S S S S P:x S S S 3.073 3.073 3.073 3.073 3.073 3.073 3.073 1.678 -6.463 3.073 1.678 3.073 -6.463 -6.463 1.678 -6.463 -6.581 -6.581 -6.463 1.678 -6.581 3.073 -6.463 -6.581 3.073 -6.581 -6.581 -6.463 -6.581 3.073 -6.581 -6.581 1.678 1.678 -6.463 5.519 5.519 5.519 1.678 5.519 5.519 5.519 5.519 -6.581 -6.581 -6.581 3.073 5.519 1.678 5.519 5.519 3.073 5.519 3.073 5.519 5.519 3.073 3.073 3.073 3.073 3.073 -6.581 3.073 -6.581 3.073 5.519 3.073 3.073 3.073 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 1.00 1.00 2.00 0.00 1.00 0.00 2.00 1.00 0.00 1.00 1.00 2.00 1.00 0.00 1.00 1.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 50 57 49 79 76 74 58 8 8 90 6 72 6 7 7 5 50 57 4 5 49 45 2 74 86 79 76 1 58 65 90 72 4 2 3 104 97 102 1 109 97 104 99 45 86 65 51 109 3 102 106 63 107 73 96 95 56 47 75 52 68 51 60 73 88 105 78 83 89 H H H H H H H W W H W H W W W W H H W W H H W H H H H W H H H H W W W C C C W C C C C H H H H C W C C H C H C C H H H H H H H H H C H H H 1.088 0.00 624 A 6.46 5.12 5.10 4.79 3.41 3.00 2.82 -2.69 2.66 2.49 2.48 2.33 2.10 2.06 2.04 1.95 -1.78 1.68 -1.63 1.56 1.48 1.43 1.37 1.37 -1.29 1.28 1.26 1.26 1.23 1.17 1.12 1.12 -1.09 1.08 1.07 -1.07 1.04 1.02 1.01 -1.00 7 7 7 7 6 2 6 7 6 2 7 1 3 1 2 2 6 1 7 2 6 1 3 2 6 2 2 1 2 3 2 3 3 1 1 2 1 1 3 3 S S S S S S S S S S S S D:z2 S S S S S S S S S D:z2 S S S S S S D:z2 S D:xz S S S S P:z P:y D:z2 S 1.678 1.678 1.678 1.678 -6.463 3.073 -6.463 1.678 -6.463 3.073 1.678 -6.581 -4.382 -6.581 3.073 3.073 -6.463 -6.581 1.678 3.073 -6.463 -6.581 -4.382 3.073 -6.463 3.073 3.073 -6.581 3.073 -4.382 3.073 -4.382 15.427 -6.581 -6.581 3.073 -5.048 -5.048 -4.382 15.427 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 1.00 0.80 1.00 0.00 0.00 2.00 1.00 0.00 0.00 2.00 1.00 0.80 0.00 2.00 0.00 0.00 1.00 0.00 0.80 0.00 0.80 0.00 1.00 1.00 0.00 0.67 0.67 0.80 0.00 4 10 8 1 4 69 8 3 1 46 5 69 9 46 62 77 3 62 7 84 5 77 10 75 7 71 61 84 43 1 59 4 93 75 43 70 95 98 2 91 W W W W W H W W W H W H W H H H W H W H W H W H W H H H H W H W N H H H C C W N 1.152 0.00 625 A 8.50 7.39 5.90 4.31 3.75 3.16 3.08 3.04 2.80 2.74 2.67 2.53 2.43 2.41 2.39 2.21 2.08 2.00 1.91 1.85 1.81 1.81 1.78 1.69 -1.69 1.64 1.63 1.62 1.61 1.60 1.57 -1.50 1.46 1.44 1.43 1.40 1.37 1.32 -1.30 1.29 -1.27 -1.23 1.19 -1.17 -1.17 1.16 -1.16 -1.14 1.13 1.12 -1.09 1.08 1.03 -1.02 1.00 7 7 6 6 2 2 2 7 7 2 2 2 2 1 2 2 2 1 6 1 2 1 1 2 2 2 2 2 2 1 1 2 1 1 1 1 1 1 2 2 2 3 1 2 2 2 2 2 1 2 2 1 1 2 2 S S S S S S S S S S S S S S S S S S S S S S S S P:x S S S S S S P:x S S P:z S S S P:x S P:x S S P:x P:y S S S S S P:x P:x S P:x S 1.678 1.678 -6.463 -6.463 3.073 3.073 3.073 1.678 1.678 3.073 3.073 3.073 3.073 -6.581 3.073 3.073 3.073 -6.581 -6.463 -6.581 3.073 -6.581 -6.581 3.073 5.519 3.073 3.073 3.073 3.073 -6.581 -6.581 5.519 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 5.519 3.073 5.519 15.427 -6.581 5.519 5.519 3.073 3.073 3.073 -6.581 3.073 5.519 -5.048 -6.581 5.519 -21.259 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 1.00 0.00 0.00 0.00 1.00 2.00 1.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 1.00 0.67 1.00 1.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.67 1.00 0.00 2.00 5 6 5 6 79 76 86 8 7 45 62 72 90 62 58 52 46 79 8 90 66 46 86 74 108 49 63 82 55 76 52 109 45 82 99 55 63 72 110 75 101 92 74 98 109 84 54 64 84 88 103 101 58 97 92 W W W W H H H W W H H H H H H H H H W H H H H H C H H H H H H C H H C H H H C H C N H C C H H H H H C C H C N 1.173 0.00 626 A 6.38 5.96 4.92 4.40 3.44 3.35 3.09 2.98 2.75 2.54 2.36 2.35 2.32 2.04 2.00 1.97 1.81 1.78 1.77 1.77 1.74 1.72 1.71 1.68 1.66 1.64 1.61 1.42 1.41 1.40 -1.39 1.38 -1.38 -1.38 1.38 -1.36 1.34 1.33 -1.32 1.32 -1.29 1.28 1.24 -1.23 1.22 1.22 1.21 1.17 -1.16 1.15 1.13 1.11 1.09 1.09 -1.08 -1.06 1.05 -1.05 7 7 6 2 7 2 2 6 2 6 2 1 2 2 2 1 1 1 2 2 1 2 1 2 1 1 2 2 1 2 2 6 2 2 7 3 7 1 2 1 2 6 1 3 2 2 7 1 2 1 1 2 1 7 2 2 1 2 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S P:y S P:y P:y S S S S P:y P:z P:y S S S S S S S P:y P:y S S S S P:y P:y P:y P:y 1.678 1.678 -6.463 3.073 1.678 3.073 3.073 -6.463 3.073 -6.463 3.073 -6.581 3.073 3.073 3.073 -6.581 -6.581 -6.581 3.073 3.073 -6.581 3.073 -6.581 3.073 -6.581 -6.581 3.073 3.073 -6.581 3.073 5.519 -6.463 5.519 5.519 1.678 15.427 1.678 -6.581 5.519 -5.048 5.519 -6.463 -6.581 15.427 3.073 3.073 1.678 -6.581 5.519 -5.048 -6.581 -21.259 -6.581 1.678 5.519 5.519 -5.048 5.519 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 1.00 1.00 0.00 0.00 1.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.67 0.00 2.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 0.67 1.00 2.00 1.00 0.00 0.00 0.00 0.67 0.00 1 2 1 50 4 65 57 2 59 4 90 50 49 83 53 65 57 59 74 69 83 43 69 68 84 49 84 62 43 58 102 9 101 98 10 94 9 68 108 107 97 10 62 93 46 48 7 46 95 108 53 94 90 3 103 100 103 109 W W W H W H H W H W H H H H H H H H H H H H H H H H H H H H C W C C W N W H C C C W H N H H W H C C H N H W C C C C 1.311 0.00 627 A 5.87 5.77 5.58 5.05 4.85 4.73 4.63 4.21 3.74 3.68 3.67 3.51 3.21 -3.18 3.13 2.97 2.97 2.92 2.92 -2.66 -2.39 -2.27 -2.27 2.13 1.95 1.92 1.88 1.84 1.80 -1.78 1.74 1.67 1.66 1.54 1.45 1.45 -1.40 1.34 1.28 1.23 -1.13 1.11 -1.05 -1.03 7 2 2 7 7 2 1 2 6 2 7 2 6 2 2 1 6 1 6 2 2 2 2 1 1 2 2 1 1 2 1 2 2 2 1 1 2 1 2 2 2 2 2 2 S S S S S S S S S S S S S P:z S S S S S P:z P:z P:z P:z S S S S S S P:z S S S S S S P:z S S S P:z S P:z P:z 1.678 3.073 3.073 1.678 1.678 3.073 -6.581 3.073 -6.463 3.073 1.678 3.073 -6.463 5.519 3.073 -6.581 -6.463 -6.581 -6.463 5.519 5.519 5.519 5.519 -6.581 -6.581 3.073 3.073 -6.581 -6.581 5.519 -6.581 3.073 3.073 3.073 -6.581 -6.581 5.519 -6.581 3.073 3.073 5.519 3.073 5.519 5.519 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 1.00 2.00 1.00 2.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 3 88 71 2 4 77 71 80 4 75 1 85 3 104 52 85 2 88 1 109 103 105 108 77 80 86 65 53 75 110 65 55 53 67 67 52 107 86 84 48 97 69 106 98 W H H W W H H H W H W H W C H H W H W C C C C H H H H H H C H H H H H H C H H H C H C C 1.341 0.00 628 A 7.46 5.51 5.50 5.37 5.22 5.14 4.80 4.43 4.42 4.12 3.75 -3.38 3.24 3.09 -3.02 2.73 2.66 2.58 2.58 2.45 2.41 2.36 -2.35 2.28 2.18 -2.14 1.92 1.88 1.82 -1.81 1.78 1.78 1.70 1.47 1.45 1.44 1.43 1.41 -1.23 -1.19 -1.16 -1.15 1.09 -1.01 7 2 7 6 1 2 7 2 2 7 6 2 6 2 2 2 1 2 6 2 1 2 2 2 2 2 1 1 2 2 1 1 1 1 2 1 1 1 3 2 5 2 2 2 S S S S S S S S S S S P:z S S P:z S S S S S S S P:z S S P:z S S S P:z S S S S S S P:x P:z S S P:y P:z S P:z 1.678 3.073 1.678 -6.463 -6.581 3.073 1.678 3.073 3.073 1.678 -6.463 5.519 -6.463 3.073 5.519 3.073 -6.581 3.073 -6.463 3.073 -6.581 3.073 5.519 3.073 3.073 5.519 -6.581 -6.581 3.073 5.519 -6.581 -6.581 -6.581 -6.581 3.073 -6.581 -5.048 -5.048 15.427 3.073 0.094 5.519 -21.259 5.519 0.00 0.00 0.00 2.00 1.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 1.00 0.00 2.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 1.00 1.00 1.00 0.00 1.00 0.67 0.67 0.00 0.00 0.00 0.00 2.00 0.00 7 66 8 7 66 59 5 55 48 6 5 102 8 80 101 79 61 53 6 61 59 52 100 72 45 97 48 72 77 98 53 45 55 79 85 80 100 102 92 81 10 96 92 99 W H W W H H W H H W W C W H C H H H W H H H C H H C H H H C H H H H H H C C N H W C N C 1.363 0.00 629 A 10.21 9.31 4.47 2.90 2.81 2.69 2.40 2.20 1.97 1.84 1.66 1.64 1.57 1.55 1.50 1.39 1.39 1.29 1.25 1.10 1.06 1.06 1.03 1.01 3 3 3 3 3 3 3 3 3 6 3 3 3 3 2 6 2 1 1 3 1 2 1 7 D:x2-y2 D:x2-y2 D:z2 D:z2 D:z2 D:z2 D:yz D:z2 D:yz S D:xz D:z2 D:xz D:z2 S S S P:y P:y D:z2 S S S S -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -6.463 -4.382 -4.382 -4.382 -4.382 3.073 -6.463 3.073 -9.955 -9.955 -4.382 -6.581 3.073 -6.581 1.678 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 0.80 0.80 0.80 0.80 0.00 2.00 0.00 1.33 1.33 0.80 1.00 0.00 1.00 0.00 10 9 6 7 3 5 5 4 8 3 4 2 1 8 67 2 71 25 26 1 71 74 67 3 W W W W W W W W W W W W W W H W H O O W H H H W 1.420 0.00 630 A 12.25 7.43 6.33 5.25 3.88 3.04 2.73 2.68 2.65 2.48 2.37 2.26 2.18 2.11 2.02 1.97 1.94 1.86 1.80 1.67 1.66 1.56 1.37 1.32 1.28 1.26 1.21 1.20 1.13 -1.13 1.10 1.09 6 6 7 3 2 1 2 3 3 6 6 2 5 2 3 1 2 6 1 3 2 1 1 3 3 2 1 2 1 2 1 6 S S S D:z2 S S S D:z2 D:z2 S S S P:z S D:z2 S S S P:z D:z2 S S S D:z2 D:z2 S S S S P:x S S -6.463 -6.463 1.678 -4.382 3.073 -6.581 3.073 -4.382 -4.382 -6.463 -6.463 3.073 0.094 3.073 -4.382 -6.581 3.073 -6.463 -9.955 -4.382 3.073 -6.581 -6.581 -4.382 -4.382 3.073 -6.581 3.073 -6.581 5.519 -6.581 -6.463 2.00 2.00 0.00 0.80 0.00 1.00 0.00 0.80 0.80 2.00 2.00 0.00 0.00 0.00 0.80 1.00 0.00 2.00 1.33 0.80 0.00 1.00 1.00 0.80 0.80 0.00 1.00 0.00 1.00 0.00 1.00 2.00 9 10 9 10 65 65 45 7 8 3 2 52 10 71 9 45 63 4 38 2 43 71 63 1 4 59 52 85 85 102 43 8 W W W W H H H W W W W H W H W H H W O W H H H W W H H H H C H W 1.475 0.00 631 A 7.63 6.96 5.95 5.62 5.38 5.00 4.92 4.89 4.13 -4.03 -4.02 3.71 3.55 3.49 -3.47 3.42 3.38 3.28 3.20 2.93 -2.70 2.70 2.55 -2.27 2.15 -2.11 2.06 2.01 -2.01 2.00 1.94 1.94 1.92 -1.84 -1.81 1.74 -1.57 1.51 -1.48 1.42 1.41 1.38 1.37 -1.32 1.30 1.27 1.25 1.12 2 2 2 2 2 1 1 2 1 2 2 1 1 1 2 1 1 1 1 2 2 2 2 2 1 2 1 6 3 1 2 2 2 2 2 1 2 1 2 1 1 1 7 3 2 7 6 1 S S S S S S S S S P:z P:z S S S P:z P:z P:z S S S P:z S S P:z P:y P:z S S S S S S S P:z P:z S P:x S P:x S S P:y S S S S S S 3.073 3.073 3.073 3.073 3.073 -6.581 -6.581 3.073 -6.581 5.519 5.519 -6.581 -6.581 -6.581 5.519 -5.048 -5.048 -6.581 -6.581 3.073 5.519 3.073 3.073 5.519 -5.048 5.519 -6.581 -6.463 15.427 -6.581 3.073 -21.259 3.073 5.519 5.519 -6.581 5.519 -6.581 5.519 -6.581 -6.581 -5.048 1.678 15.427 -21.259 1.678 -6.463 -6.581 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 1.00 0.00 0.00 1.00 1.00 1.00 0.00 0.67 0.67 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 1.00 2.00 0.00 1.00 0.00 2.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 1.00 1.00 0.67 0.00 0.00 2.00 0.00 2.00 1.00 88 75 80 77 69 75 88 84 69 108 103 77 85 80 105 104 109 84 71 85 110 48 71 106 110 109 48 8 94 45 59 94 45 107 104 74 106 82 107 67 59 105 10 93 93 8 6 43 H H H H H H H H H C C H H H C C C H H H C H H C C C H W N H H N H C C H C H C H H C W N N W W H 1.513 0.00 632 A 6.74 6.73 5.72 5.06 5.01 4.70 4.56 4.23 -3.97 3.47 3.40 -3.23 3.10 3.10 2.92 -2.87 -2.86 2.82 2.72 2.64 2.46 -2.12 -2.02 2.00 -1.98 1.97 1.95 1.85 1.77 1.76 1.62 1.54 1.35 1.34 -1.34 1.34 1.32 -1.22 -1.19 1.14 -1.12 1.09 1.04 1.02 -1.01 2 2 2 2 1 2 1 1 2 1 1 2 1 1 1 3 2 2 2 1 1 2 3 2 3 2 2 1 1 7 1 6 2 1 2 1 1 2 2 1 2 2 1 1 2 S S S S P:z S S S P:z S S P:z S S P:z S P:z S S P:y S P:z S S S S S P:y P:z S S S S P:y P:z S P:y P:z P:y S P:x S S P:z P:z 3.073 3.073 3.073 3.073 -5.048 3.073 -6.581 -6.581 5.519 -6.581 -6.581 5.519 -6.581 -6.581 -5.048 15.427 5.519 -21.259 3.073 -5.048 -6.581 5.519 15.427 3.073 15.427 -21.259 -21.259 -5.048 -5.048 1.678 -6.581 -6.463 3.073 -5.048 5.519 -6.581 -5.048 5.519 5.519 -6.581 5.519 3.073 -6.581 -5.048 5.519 0.00 0.00 0.00 0.00 0.67 0.00 1.00 1.00 0.00 1.00 1.00 0.00 1.00 1.00 0.67 0.00 0.00 2.00 0.00 0.67 1.00 0.00 0.00 0.00 0.00 2.00 2.00 0.67 0.67 0.00 1.00 2.00 0.00 0.67 0.00 1.00 0.67 0.00 0.00 1.00 0.00 0.00 1.00 0.67 0.00 55 46 48 52 97 62 46 55 98 52 48 96 53 62 102 91 101 91 59 96 50 100 92 53 93 92 93 105 104 9 59 8 69 102 95 44 99 97 96 65 95 75 58 98 102 H H H H C H H H C H H C H H C N C N H C H C N H N N N C C W H W H C C H C C C H C H H C C 1.533 0.00 633 A 6.46 5.61 3.81 3.13 3.07 2.55 2.54 2.47 -2.16 2.11 2.09 2.04 2.00 1.96 -1.96 1.88 1.86 1.85 1.77 1.72 1.71 1.67 -1.66 1.65 1.60 1.60 1.57 1.56 1.54 1.51 1.41 1.33 1.32 -1.31 1.27 1.26 1.24 1.20 1.17 1.15 1.14 1.14 1.13 1.11 -1.11 1.04 6 1 2 7 1 6 6 2 3 2 2 1 1 1 2 1 1 1 6 1 7 1 2 1 6 1 6 1 2 1 6 1 1 2 2 1 1 1 1 7 1 2 2 2 2 2 S S S S S S S S S S S S P:z P:x P:x P:y P:x S S S S P:x P:x S S S S S S P:x S P:y S P:y S P:z S S P:x S S S S S P:x P:z -6.463 -6.581 3.073 1.678 -6.581 -6.463 -6.463 3.073 15.427 -21.259 3.073 -6.581 -5.048 -5.048 5.519 -5.048 -5.048 -6.581 -6.463 -6.581 1.678 -5.048 5.519 -6.581 -6.463 -6.581 -6.463 -6.581 3.073 -5.048 -6.463 -5.048 -6.581 5.519 3.073 -5.048 -6.581 -6.581 -5.048 1.678 -6.581 3.073 3.073 3.073 5.519 5.519 2.00 1.00 0.00 0.00 1.00 2.00 2.00 0.00 0.00 2.00 0.00 1.00 0.67 0.67 0.00 0.67 0.67 1.00 2.00 1.00 0.00 0.67 0.00 1.00 2.00 1.00 2.00 1.00 0.00 0.67 2.00 0.67 1.00 0.00 0.00 0.67 1.00 1.00 0.67 0.00 1.00 0.00 0.00 0.00 0.00 0.00 6 72 72 6 68 8 2 77 94 94 82 58 107 106 104 108 107 86 7 66 2 100 103 77 4 61 10 82 63 109 9 103 63 104 49 102 49 65 104 4 67 65 69 68 109 107 W H H W H W W H N N H H C C C C C H W H W C C H W H W H H C W C H C H C H H C W H H H H C C 1.560 0.00 634 A 5.82 -4.70 4.64 4.27 3.85 3.68 2.74 2.73 2.71 2.68 2.52 2.44 2.30 2.23 2.23 2.21 2.19 2.12 2.06 2.05 2.05 2.03 2.02 2.00 1.94 -1.93 1.90 1.78 1.74 1.68 -1.61 -1.54 1.48 -1.45 1.45 1.36 1.33 1.22 1.21 1.20 -1.17 1.16 1.04 1.04 -1.04 1.01 2 3 2 1 2 2 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 6 2 2 3 1 3 1 2 2 2 1 2 6 7 2 2 2 1 2 7 1 1 2 3 S S S S S S S S P:z P:y P:x S P:y S S S P:x P:y P:z P:y S S S S S S P:x D:x2-y2 S S P:y P:x P:z P:y S S S P:y S P:z P:y S S S P:y D:z2 3.073 15.427 -21.259 -6.581 3.073 3.073 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 3.073 3.073 3.073 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.463 3.073 -21.259 15.427 -5.048 -4.382 -6.581 3.073 5.519 5.519 -5.048 5.519 -6.463 1.678 3.073 5.519 3.073 -5.048 5.519 1.678 -6.581 -6.581 5.519 -4.382 0.00 0.00 2.00 1.00 0.00 0.00 1.00 1.00 0.67 0.67 0.67 1.00 0.67 0.00 0.00 0.00 0.67 0.67 0.67 0.67 1.00 1.00 2.00 0.00 2.00 0.00 0.67 0.80 1.00 0.00 0.00 0.00 0.67 0.00 2.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.00 1.00 0.00 0.80 79 91 91 79 83 61 83 61 95 98 95 88 99 66 88 44 101 102 97 96 66 65 5 46 92 92 97 9 57 86 102 108 99 107 7 10 62 98 74 107 109 5 63 86 101 2 H N N H H H H H C C C H C H H H C C C C H H W H N N C W H H C C C C W W H C H C C W H H C W 1.563 0.00 635 A -5.64 5.55 3.72 -3.42 3.35 3.27 3.25 2.95 2.67 2.55 2.52 2.36 2.09 2.00 1.96 1.93 1.88 1.84 1.72 1.64 1.52 -1.49 1.46 1.41 1.37 1.34 1.32 1.30 1.28 1.24 1.22 1.15 1.11 1.11 1.06 1.04 3 2 7 3 2 1 1 7 2 1 1 2 3 1 1 1 2 2 1 2 6 3 2 2 6 1 2 1 2 2 1 2 6 1 1 1 S S S S S P:z P:y S S P:y P:y S D:z2 P:x P:z P:x S S P:z S S S S S S P:y P:y P:x S S P:x S S P:x P:y P:z 15.427 -21.259 1.678 15.427 -21.259 -5.048 -5.048 1.678 3.073 -5.048 -5.048 3.073 -4.382 -5.048 -5.048 -5.048 3.073 3.073 -5.048 3.073 -6.463 15.427 -21.259 3.073 -6.463 -5.048 5.519 -5.048 3.073 3.073 -5.048 3.073 -6.463 -5.048 -5.048 -5.048 0.00 2.00 0.00 0.00 2.00 0.67 0.67 0.00 0.00 0.67 0.67 0.00 0.80 0.67 0.67 0.67 0.00 0.00 0.67 0.00 2.00 0.00 2.00 0.00 2.00 0.67 0.00 0.67 0.00 0.00 0.67 0.00 2.00 0.67 0.67 0.67 93 93 10 94 94 106 105 9 82 110 103 67 10 104 104 106 62 69 107 68 9 92 92 84 7 108 103 103 83 61 109 90 10 105 99 109 N N W N N C C W H C C H W C C C H H C H W N N H W C C C H H C H W C C C 1.584 0.00 636 A 4.94 4.46 -4.37 4.31 4.27 3.90 3.62 3.38 3.04 2.97 2.94 2.85 2.59 -2.51 2.47 2.12 -2.10 2.08 1.97 1.91 1.80 -1.76 1.73 1.72 1.70 1.70 1.60 1.57 1.52 -1.50 1.46 1.45 1.44 1.44 1.43 1.42 1.40 1.16 -1.11 1.09 1.07 1.05 1.03 1.03 1.03 1.01 1.01 1.00 2 2 3 2 2 1 1 1 2 1 2 1 1 2 2 2 3 1 2 1 1 2 1 1 1 1 1 1 1 3 2 7 2 1 1 2 1 1 2 1 2 1 6 2 1 2 3 2 S S S S S S S P:x S P:z S P:z S P:z S S S P:x S P:y P:y P:z S P:y S S P:x S P:y S S S S S S S S P:z P:x P:x P:x S S P:x S S D:z2 S 3.073 3.073 15.427 3.073 -21.259 -6.581 -6.581 -5.048 3.073 -5.048 3.073 -5.048 -6.581 5.519 3.073 -21.259 15.427 -5.048 3.073 -5.048 -5.048 5.519 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 15.427 3.073 1.678 -21.259 -6.581 -6.581 3.073 -6.581 -5.048 5.519 -5.048 5.519 -6.581 -6.463 5.519 -6.581 3.073 -4.382 3.073 0.00 0.00 0.00 0.00 2.00 1.00 1.00 0.67 0.00 0.67 0.00 0.67 1.00 0.00 0.00 2.00 0.00 0.67 0.00 0.67 0.67 0.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.00 0.00 0.00 2.00 1.00 1.00 0.00 1.00 0.67 0.00 0.67 0.00 1.00 2.00 0.00 1.00 0.00 0.80 0.00 50 82 92 44 92 50 44 100 61 99 85 95 82 96 63 94 94 101 53 98 108 98 79 101 85 48 109 72 100 91 72 10 91 53 55 58 68 107 97 107 100 63 10 101 61 68 9 48 H H N H N H H C H C H C H C H N N C H C C C H C H H C H C N H W N H H H H C C C C H W C H H W H 1.623 0.00 637 A 9.47 7.68 7.30 5.91 5.64 4.85 -4.62 4.42 3.67 3.44 3.11 3.09 -3.03 -2.85 -2.84 2.65 2.34 -2.29 2.17 2.12 2.10 2.01 1.96 1.89 1.76 1.75 1.75 1.75 1.73 1.71 1.63 1.48 -1.41 1.41 1.34 1.32 1.29 -1.25 1.18 1.09 1.05 1.01 1 1 2 6 2 1 2 2 7 1 1 2 2 2 2 1 1 2 2 1 6 7 2 1 2 1 1 1 2 2 1 1 2 1 2 1 3 2 1 6 1 1 S S S S S S P:z S S S S S P:z P:x P:z S S P:x S S S S S S S S S S S S S P:z P:x P:x S S D:z2 P:y P:z S S P:z -6.581 -6.581 3.073 -6.463 3.073 -6.581 5.519 3.073 1.678 -6.581 -6.581 3.073 5.519 5.519 5.519 -6.581 -6.581 5.519 3.073 -6.581 -6.463 1.678 3.073 -6.581 3.073 -6.581 -6.581 -6.581 3.073 3.073 -6.581 -5.048 5.519 -5.048 3.073 -6.581 -4.382 5.519 -5.048 -6.463 -6.581 -5.048 1.00 1.00 0.00 2.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 2.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 0.00 0.00 1.00 0.67 0.00 0.67 0.00 1.00 0.80 0.00 0.67 2.00 1.00 0.67 84 80 84 3 80 44 108 44 3 88 76 76 107 107 110 53 57 108 57 90 8 8 88 86 86 52 45 79 53 90 83 95 97 95 52 63 9 101 109 1 75 110 H H H W H H C H W H H H C C C H H C H H W W H H H H H H H H H C C C H H W C C W H C 1.642 0.00 638 A 8.93 8.38 8.38 6.85 5.58 5.56 5.18 4.13 3.86 3.40 -3.09 2.90 2.86 2.83 2.82 2.78 2.63 2.54 2.37 -2.30 2.28 2.25 -2.16 2.09 1.97 1.85 1.81 -1.72 1.71 -1.70 -1.69 1.67 1.66 1.65 -1.60 -1.55 -1.47 1.38 -1.27 1.26 -1.26 -1.24 1.23 1.20 -1.17 1.13 -1.12 1.10 -1.10 1.08 1.07 1.05 1.03 1.02 2 2 1 1 2 1 1 1 2 2 2 2 1 1 2 2 1 1 2 2 2 1 2 1 1 1 2 2 1 2 2 1 1 1 2 2 2 2 2 2 2 2 1 1 2 1 2 1 2 1 1 1 3 1 S S S S S S S S S S P:x S S S S S S S S P:z S S P:z P:x S S S P:x P:z P:x P:z P:x P:x P:x P:y P:z P:x S P:x S P:y P:y S P:y P:x P:z P:z S P:x S S S D:z2 S 3.073 3.073 -6.581 -6.581 3.073 -6.581 -6.581 -6.581 3.073 3.073 5.519 3.073 -6.581 -6.581 3.073 3.073 -6.581 -6.581 3.073 5.519 3.073 -6.581 5.519 -5.048 -6.581 -6.581 3.073 5.519 -5.048 5.519 5.519 -5.048 -5.048 -5.048 5.519 5.519 5.519 3.073 5.519 3.073 5.519 5.519 -6.581 -5.048 5.519 -5.048 5.519 -6.581 5.519 -6.581 -6.581 -6.581 -4.382 -6.581 0.00 0.00 1.00 1.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 1.00 0.00 0.67 1.00 1.00 0.00 0.00 0.67 0.00 0.00 0.67 0.67 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.67 0.00 0.67 0.00 1.00 0.00 1.00 1.00 1.00 0.80 1.00 43 68 43 68 49 75 49 52 75 76 98 52 76 82 90 82 77 90 61 103 45 61 106 96 48 45 72 95 106 103 95 105 98 103 97 105 96 58 105 67 98 95 58 96 106 95 110 69 97 46 86 72 9 53 H H H H H H H H H H C H H H H H H H H C H H C C H H H C C C C C C C C C C H C H C C H C C C C H C H H H W H 1.670 0.00 639 A 10.28 10.25 5.54 5.13 4.22 4.07 3.99 3.93 3.60 3.50 3.40 -3.28 3.17 -3.05 2.88 2.71 -2.64 -2.58 2.46 2.38 2.36 2.30 2.12 2.04 2.03 1.98 1.96 1.94 -1.88 -1.88 1.81 1.68 -1.62 1.62 1.49 1.46 -1.44 1.40 -1.32 -1.30 1.30 -1.28 1.26 1.23 1.18 -1.15 1.14 1.06 1.04 1.04 1.01 1 2 2 1 6 1 1 1 7 2 2 2 1 2 2 1 2 2 1 1 1 1 1 2 2 1 1 2 2 2 1 1 2 1 1 1 2 2 2 2 2 2 2 2 1 1 2 6 6 1 7 S S S S S S S S S S S P:y S P:y S S P:z P:z S S P:y S S S S P:x S S P:z P:z P:z S P:z P:x S S S S P:x P:x S P:z S S S P:y S S S S S -6.581 3.073 3.073 -6.581 -6.463 -6.581 -6.581 -6.581 1.678 3.073 3.073 5.519 -6.581 5.519 3.073 -6.581 5.519 5.519 -6.581 -6.581 -5.048 -6.581 -6.581 3.073 3.073 -5.048 -6.581 3.073 5.519 5.519 -5.048 -6.581 5.519 -5.048 -6.581 -6.581 3.073 3.073 5.519 5.519 3.073 5.519 3.073 3.073 -6.581 -5.048 3.073 -6.463 -6.463 -6.581 1.678 1.00 0.00 0.00 1.00 2.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 1.00 1.00 0.67 1.00 1.00 0.00 0.00 0.67 1.00 0.00 0.00 0.00 0.67 1.00 0.00 0.67 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.67 0.00 2.00 2.00 1.00 0.00 83 83 67 67 7 86 55 85 7 55 86 108 90 109 58 50 105 103 46 77 110 58 74 74 46 110 75 50 98 101 106 62 96 108 48 44 82 61 108 109 48 100 84 77 80 108 90 4 5 61 8 H H H H W H H H W H H C H C H H C C H H C H H H H C H H C C C H C C H H H H C C H C H H H C H W W H W 1.698 0.00 640 A 7.27 6.62 6.36 6.32 6.18 5.24 4.96 -4.66 4.58 -3.97 3.44 3.33 2.93 2.68 -2.68 2.44 2.43 2.30 2.29 2.13 2.12 2.11 2.04 2.01 2.00 1.95 1.70 -1.63 1.63 -1.59 1.54 1.48 -1.45 1.28 -1.27 -1.24 1.23 1.16 1.14 1.13 1.09 1.02 -1.01 1 2 1 2 1 2 1 2 1 2 2 1 1 1 2 7 6 1 2 7 2 6 6 2 1 2 7 2 2 2 2 2 2 1 2 3 2 1 1 2 1 1 2 S S S S S S S P:z S P:z S S S S P:z S S P:z S S S S S S S S S P:x S P:z S S S S P:x S S S P:x S S S P:z -6.581 3.073 -6.581 3.073 -6.581 3.073 -6.581 5.519 -6.581 5.519 3.073 -6.581 -6.581 -6.581 5.519 1.678 -6.463 -5.048 3.073 1.678 3.073 -6.463 -6.463 3.073 -6.581 3.073 1.678 5.519 3.073 5.519 3.073 3.073 3.073 -6.581 5.519 11.266 3.073 -6.581 -5.048 3.073 -6.581 -6.581 5.519 1.00 0.00 1.00 0.00 1.00 0.00 1.00 0.00 1.00 0.00 0.00 1.00 1.00 1.00 0.00 0.00 2.00 0.67 0.00 0.00 0.00 2.00 2.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.67 0.00 1.00 1.00 0.00 59 61 43 63 61 43 63 101 55 100 59 49 48 77 99 6 6 99 49 5 67 2 5 83 52 77 2 98 82 95 55 84 62 57 95 101 57 53 96 74 82 67 98 H H H H H H H C H C H H H H C W W C H W H W W H H H W C H C H H H H C C H H C H H H C