AMS 2021.106 r99350 2021-12-03 2024-03-21T16:59:29.000 SINGLE POINT DFT PBE0 == Not Default == TZP TZP TZP TZP TZP TZP 4809.330810 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Restricted Restricted 0.00000 1.0E-08 1000 conjugate-gradient 37.50000 2.76000 1 3 3995.38379235 12761.01123634 Acetonitrile Phosphorus TZP Tungsten TZP Oxygen TZP Nitrogen TZP Carbon TZP Hydrogen TZP DFT Restricted Restricted Point Charge Nuclei Frozen Orbital(s) Task SinglePoint System Atoms P -0.17717707838837 -0.34723669826935 -1.60423490676929 adf.R=1.850 W -0.64018509490354 2.49620987152549 -3.76418048585189 adf.R=1.992 W 0.42346811772949 -3.00305467283165 0.74582326717062 adf.R=1.992 W 2.29932336122723 -1.68231476107489 -3.827926960934 adf.R=1.992 W 3.06821412842823 -1.01409030046588 -0.19783251747723 adf.R=1.992 W -0.35816988275852 -3.68951957907677 -2.88581387626458 adf.R=1.992 W -3.52197974383733 0.33140955732827 -2.73874780879436 adf.R=1.992 W -3.00736310848652 -2.30265490665137 -0.58601452042603 adf.R=1.992 W -0.87429364661384 -1.0411171098336 -5.05156150468933 adf.R=1.992 W 2.51148148419994 1.85840438427037 -2.53791267352957 adf.R=1.992 O 0.2726150436722 1.08595505681802 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adf.R=1.517 O -0.59973084506656 3.48005743609536 5.33117351956519 adf.R=1.517 O 1.5528232186278 -0.02469059524704 3.95272193267103 adf.R=1.517 O -1.87788471876021 6.24654583804965 -1.6141305575245 adf.R=1.517 O -0.33206520602547 -1.86410943401956 5.02203260930039 adf.R=1.517 O 1.51625453619263 5.36374631828758 4.99662505129689 adf.R=1.517 O 3.98208748155092 1.37516756405061 3.50778814940234 adf.R=1.517 O -2.82081788348794 2.11743196562408 6.51135721328944 adf.R=1.517 O -5.72663985806746 3.35238829523867 -0.24782341600037 adf.R=1.517 O -4.90391138357982 -0.92420067009663 3.24931276087825 adf.R=1.517 O -3.62844358555973 6.43310113024927 2.98369479242545 adf.R=1.517 O 3.24704696591575 5.20048510508556 0.37107888883826 adf.R=1.517 N -7.90938714696853 -1.61428689143346 -0.53926561309723 adf.R=1.608 C -9.408388529868571 -1.73489119731764 -0.44833565101129 adf.R=1.700 C -7.28578488419722 -2.16686600560397 0.7165383955069899 adf.R=1.700 C -7.41332058197899 -2.3898127002472 -1.73369239579453 adf.R=1.700 C -7.53097536306655 -0.1640454602885 -0.69129525500602 adf.R=1.700 H -9.84539772715638 -1.32618489109763 -1.3637360987733 adf.R=1.350 H -9.74985609584847 -1.16951288705905 0.42314478871546 adf.R=1.350 H -9.66547699004893 -2.79239913785317 -0.34157504001057 adf.R=1.350 H -6.1977850017726 -2.09081767683658 0.62991054821237 adf.R=1.350 H -7.58615213653489 -3.21319985207042 0.82052813107065 adf.R=1.350 H -7.64453990362547 -1.5815809447405 1.56775071600501 adf.R=1.350 H -7.9058758808753 -1.99749252595176 -2.62803678768211 adf.R=1.350 H -7.66925342076528 -3.44350615693219 -1.59167682794551 adf.R=1.350 H -6.32865610436521 -2.25922563295783 -1.80715209439914 adf.R=1.350 H -6.44023971945519 -0.09082528511235 -0.74454677161863 adf.R=1.350 H -7.90717033119273 0.38513097057287 0.17650693887589 adf.R=1.350 H -7.9866299565793 0.21758454083659 -1.60939112176987 adf.R=1.350 C 6.18666834341215 5.23870175287824 6.38118876296057 adf.R=1.700 N 5.62948949382719 4.09457867399001 5.57544903228605 adf.R=1.608 H 7.13141534528744 5.55464681451812 5.93023124979656 adf.R=1.350 H 6.34918724506572 4.89435539796331 7.40610230193101 adf.R=1.350 H 5.46360155505472 6.05907892623248 6.36520859761871 adf.R=1.350 C 4.31552272970752 3.65038807352602 6.16682411562331 adf.R=1.700 C 5.40690554119597 4.53867213477716 4.15304033146773 adf.R=1.700 C 6.60046255008014 2.94236388635362 5.5919922413939 adf.R=1.700 H 3.95654198547693 2.7945176027923 5.58719547619445 adf.R=1.350 H 3.60741796716681 4.48164355733897 6.09372105529399 adf.R=1.350 H 4.48101904530617 3.36944735911254 7.21056314278409 adf.R=1.350 H 6.36586046691293 4.85376652143555 3.73206961445165 adf.R=1.350 H 4.70160091575735 5.37464757795492 4.15836701907296 adf.R=1.350 H 4.99582865332959 3.69298410204022 3.59289836638803 adf.R=1.350 H 6.17083949821792 2.12759022210628 5.00161602470457 adf.R=1.350 H 6.74764375792188 2.6264799065873 6.62842118853483 adf.R=1.350 H 7.54668227320248 3.27923607186843 5.15929914495657 adf.R=1.350 C -7.08120770245085 8.523186666778489 -0.83225232320304 adf.R=1.700 N -5.94333061127472 7.64246953906926 -0.38409905412596 adf.R=1.608 H -6.73473267201888 9.141336767944329 -1.66504052125844 adf.R=1.350 H -7.386091769719 9.151494766799329 0.00894660267714 adf.R=1.350 H -7.90961597192016 7.88434783128976 -1.15074663161976 adf.R=1.350 C -6.40072349346052 6.78128598202485 0.76498100353863 adf.R=1.700 C -5.50753295657976 6.76792785375853 -1.53128165807565 adf.R=1.700 C -4.78808100675481 8.502446571200441 0.05993392080173 adf.R=1.700 H -5.5642733488861 6.15673261607422 1.09196216548121 adf.R=1.350 H -7.23106460079335 6.15829143347143 0.42196491617878 adf.R=1.350 H -6.72508039500617 7.43552733940559 1.57897601878623 adf.R=1.350 H -5.19674846326406 7.41205856435674 -2.35846960484659 adf.R=1.350 H -6.35230168809237 6.14243839378817 -1.83165130296477 adf.R=1.350 H -4.67049826046027 6.14555528136656 -1.20163574096098 adf.R=1.350 H -3.97372002770711 7.84977072966789 0.38803524714275 adf.R=1.350 H -5.12392941191881 9.13435893687644 0.88680534384204 adf.R=1.350 H -4.46856538196489 9.118272621458379 -0.78507260194857 adf.R=1.350 C -3.3189754176162 -7.03169160832117 -0.90870819820347 adf.R=1.700 N -2.44367753596133 -7.4157244743318 0.25622304316056 adf.R=1.608 H -3.0620700719351 -6.01470397158051 -1.22002838589729 adf.R=1.350 H -4.36245580314782 -7.07493844208951 -0.58466411996477 adf.R=1.350 H -3.14293890498772 -7.74008272359197 -1.7228261300035 adf.R=1.350 C -2.81174530099677 -8.799702147997939 0.72609174373223 adf.R=1.700 C -0.99849133038468 -7.40429553568136 -0.1731267761819 adf.R=1.700 C -2.64048679241342 -6.43314403312384 1.38118302212625 adf.R=1.700 H -2.17018808380666 -9.06126117587378 1.57200835832618 adf.R=1.350 H -2.65624021832081 -9.49767921622624 -0.10113428971086 adf.R=1.350 H -3.86249844354888 -8.796089859600251 1.02945308104288 adf.R=1.350 H -0.7404800641282 -6.39750984909304 -0.51479933426893 adf.R=1.350 H -0.87338148975134 -8.12522521707432 -0.98569520122586 adf.R=1.350 H -0.38143921192672 -7.68568738378413 0.6845104446494 adf.R=1.350 H -2.00588291531945 -6.73497196987448 2.2190771290007 adf.R=1.350 H -3.69438983778141 -6.44451442305076 1.67478953139467 adf.R=1.350 H -2.35614047318449 -5.43670929651346 1.02969563491835 adf.R=1.350 C -2.47708303283913 -3.64496620018543 7.6263101713618 adf.R=1.700 N -3.19629400430561 -2.32141244344651 7.5826711522194 adf.R=1.608 H -2.02982379031951 -3.76483724795584 8.616956423693811 adf.R=1.350 H -1.70230617118511 -3.64133254137979 6.85391086986296 adf.R=1.350 H -3.20258566050484 -4.44068666630438 7.43676400528806 adf.R=1.350 C -3.77452965852157 -2.11378580498076 6.20679629480539 adf.R=1.700 C -2.22337813221516 -1.21145127290924 7.88888401986772 adf.R=1.700 C -4.30645909853455 -2.31659648548733 8.600921237790301 adf.R=1.700 H -4.3438537107062 -1.1806550293792 6.20579759242044 adf.R=1.350 H -4.42816889698227 -2.95814788510104 5.97202322121464 adf.R=1.350 H -2.94724161469394 -2.05901512782141 5.49306812860635 adf.R=1.350 H -2.75121023185756 -0.25501481582163 7.82128114306045 adf.R=1.350 H -1.41613920372605 -1.25268411559428 7.15065480918473 adf.R=1.350 H -1.83216568089985 -1.36279178422674 8.89870601609703 adf.R=1.350 H -3.87396913909084 -2.50093465123271 9.58819114896778 adf.R=1.350 H -5.01876290060013 -3.1048227940904 8.34161892240402 adf.R=1.350 H -4.79589794408824 -1.33886908810153 8.576169462898919 adf.R=1.350 C 8.25684781364577 -1.94410024681087 0.46713253148828 adf.R=1.700 N 8.38709845059344 -0.45253908760303 0.28757152979277 adf.R=1.608 H 8.60327702872727 -2.20231560066707 1.47185343647617 adf.R=1.350 H 8.87433393912001 -2.43863649701385 -0.28780537187647 adf.R=1.350 H 7.20413438959248 -2.21241458379215 0.34162537044718 adf.R=1.350 C 7.90861698961118 -0.07114348959437 -1.09034955440574 adf.R=1.700 C 9.828163187608549 -0.04819840830207 0.45212724873795 adf.R=1.700 C 7.54302293155416 0.24890538336723 1.32018614704132 adf.R=1.700 H 8.01616767876496 1.01094001480263 -1.20666880216119 adf.R=1.350 H 6.85932830293299 -0.36782506733779 -1.18064505124143 adf.R=1.350 H 8.52205336093939 -0.59594355332183 -1.82782947156901 adf.R=1.350 H 9.902762745707321 1.03474949326908 0.31862658326282 adf.R=1.350 H 10.42321108467975 -0.56758405105238 -0.30415882017598 adf.R=1.350 H 10.15585371028896 -0.33262797078025 1.45619197581268 adf.R=1.350 H 7.90087709948011 -0.0392517253463 2.31296634990367 adf.R=1.350 H 6.50386386186111 -0.06393847536596001 1.17837234967452 adf.R=1.350 H 7.64708070190896 1.32807278212195 1.17356735349921 adf.R=1.350 End BondOrders 1 11 2.0 1 12 2.0 1 13 2.0 1 14 2.0 2 20 1.0 2 22 1.0 2 28 1.0 2 34 1.0 2 36 1.0 3 13 1.0 3 19 1.0 3 21 1.0 3 29 1.0 3 35 1.0 3 37 1.0 4 18 1.0 4 23 1.0 4 30 1.0 4 33 1.0 4 38 1.0 5 17 1.0 5 23 1.0 5 26 1.0 5 35 1.0 5 39 1.0 6 14 1.0 6 16 1.0 6 21 1.0 6 27 1.0 6 33 1.0 6 40 1.0 7 12 1.0 7 15 1.0 7 22 1.0 7 25 1.0 7 32 1.0 7 41 1.0 8 12 1.0 8 16 1.0 8 19 1.0 8 25 1.0 8 31 1.0 8 42 1.0 9 15 1.0 9 20 1.0 9 27 1.0 9 30 1.0 9 43 1.0 10 17 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A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A 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O O O O O O O O O O O O O O O O -26.472 2.00 753 A 11.85 11.55 11.24 10.97 4.89 4.83 4.78 4.63 4.48 4.07 3.76 2.36 1.79 1.63 1.59 1.57 1.45 1.25 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 66 73 32 45 34 61 27 68 35 44 41 42 43 72 70 63 38 29 O O O O O O O O O O O O O O O O O O -26.293 2.00 754 A 7.09 6.94 6.72 6.72 6.57 6.56 4.04 4.03 4.03 3.86 3.86 3.84 3.62 3.60 3.58 3.34 3.30 3.25 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 37 72 43 71 69 40 62 26 25 65 30 67 64 31 28 59 60 33 O O O O O O O O O O O O O O O O O O -26.283 2.00 755 A 12.21 10.42 9.43 7.01 5.82 5.34 4.67 4.66 4.50 4.07 4.07 4.02 3.17 3.03 1.47 1.17 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 44 34 39 41 30 64 28 62 65 50 78 31 26 60 81 53 O O O O O O O O O O O O O O O O -26.282 2.00 756 A 13.13 12.37 6.35 6.22 6.11 5.58 5.03 3.92 3.86 3.41 3.06 2.97 2.92 2.89 2.45 2.19 1.84 1.31 1.19 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 42 36 41 59 33 25 67 39 76 60 48 81 26 34 53 31 65 28 44 O O O O O O O O O O O O O O O O O O O -26.199 2.00 757 A 19.97 10.97 5.37 5.23 5.20 4.69 4.32 2.83 2.79 2.71 2.49 2.43 2.39 2.35 2.27 2.23 1.86 1.54 1.43 1.26 1.16 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 75 77 40 71 37 69 49 59 31 33 25 64 30 63 67 47 65 61 29 27 68 O O O O O O O O O O O O O O O O O O O O O -26.192 2.00 758 A 10.54 10.26 5.37 5.20 5.05 4.97 3.60 2.79 2.63 2.43 2.42 2.33 2.26 2.23 2.00 1.93 1.93 1.91 1.90 1.74 1.70 1.65 1.36 1.28 1.27 1.25 1.17 1.04 1.02 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 72 43 62 28 60 26 52 37 69 71 40 82 66 32 30 64 80 51 59 54 25 74 46 81 73 79 45 75 53 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -26.183 2.00 759 A 6.98 6.85 6.80 6.68 6.57 6.30 6.25 6.15 6.06 5.86 5.77 5.49 5.09 1.55 1.14 1.13 1.11 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 29 61 75 35 70 32 66 63 45 68 73 38 27 47 69 65 82 O O O O O O O O O O O O O O O O O -26.179 2.00 760 A 27.91 15.07 13.64 3.80 2.55 2.41 2.40 1.98 1.96 1.85 1.69 1.60 1.60 1.58 1.30 1.24 1.22 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 S S S S S S S S S D:yz 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 -4.382 -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 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00 75 49 77 47 74 27 67 82 65 13 79 38 37 71 30 80 69 O O O O O O O O O W O O O O O O O -26.167 2.00 761 A 36.02 11.97 7.31 6.44 6.07 3.99 2.09 2.04 2.04 1.56 1.27 1.22 1.17 1.12 2 2 2 2 2 2 2 2 2 3 2 2 2 2 S S S S S S S S S D:x2-y2 S S 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 -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 2.00 2.00 49 52 46 51 47 75 31 54 33 6 74 82 79 37 O O O O O O O O O W O O O O -26.161 2.00 762 A 48.17 19.84 4.36 4.30 2.07 1.77 1.49 1.04 1.04 2 2 2 2 2 3 3 3 2 S S S S S D:x2-y2 D:xz D:yz S -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -4.382 -4.382 -27.198 2.00 2.00 2.00 2.00 2.00 0.80 0.80 0.80 2.00 77 75 74 80 81 15 15 13 29 O O O O O W W W O -26.152 2.00 763 A 17.75 14.94 11.01 9.32 8.49 7.02 5.57 3.54 2.89 1.19 2 2 2 2 2 2 2 2 2 2 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 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 51 52 49 79 80 74 82 54 46 25 O O O O O O O O O O -26.147 2.00 764 A 27.87 15.72 10.77 7.40 7.19 5.93 2.40 1.42 1.37 1.01 2 2 2 2 2 2 2 2 2 3 S S S S S S S S S D:x2-y2 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 47 51 82 74 49 46 54 61 53 4 O O O O O O O O O W -26.145 2.00 765 A 22.59 15.59 12.78 10.68 6.96 6.73 3.26 2.12 1.15 2 2 2 2 2 2 2 2 3 S S S S S S S S D:xy -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 52 82 47 74 54 50 76 77 9 O O O O O O O O W -26.140 2.00 766 A 16.87 15.01 13.94 11.96 9.92 8.78 2.84 2.28 1.88 1.86 2 2 2 2 2 2 2 2 2 2 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 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 80 78 81 46 50 79 54 82 49 53 O O O O O O O O O O -26.138 2.00 767 A 35.15 12.51 12.15 6.43 3.17 3.05 2.99 2.68 2.46 1.20 1.17 1.05 1.01 1.00 2 2 2 2 2 2 2 2 2 2 2 2 2 3 S S S S S S S S S S S S S D:xy -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 76 48 81 52 53 50 46 78 51 54 80 69 59 14 O O O O O O O O O O O O O W -26.135 2.00 768 A 14.33 11.74 10.69 8.48 5.70 5.53 4.65 4.53 3.53 2.50 2.31 2.16 1.91 1.70 1.61 1.16 1.10 1.04 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 54 50 46 78 53 82 80 81 79 47 71 40 49 37 30 69 64 67 O O O O O O O O O O O O O O O O O O -26.132 2.00 769 A 20.45 18.77 15.19 7.88 4.15 2.43 2.24 2.22 2.04 1.37 1.34 1.23 2 2 2 2 2 2 2 2 2 2 2 2 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 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 79 74 46 51 80 54 47 72 43 60 28 52 O O O O O O O O O O O O -26.127 2.00 770 A 14.34 13.15 9.77 7.48 6.99 6.01 3.44 2.92 2.81 1.73 1.60 1.49 1.40 1.35 1.32 1.32 1.21 1.07 1.06 1.06 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 80 82 81 74 77 51 75 79 46 38 35 47 27 73 29 71 32 53 76 63 O O O O O O O O O O O O O O O O O O O O -26.122 2.00 771 A 6.80 5.92 5.51 5.48 5.46 5.38 4.91 4.84 4.82 4.69 4.44 4.08 3.99 3.79 3.51 3.20 2.46 1.88 1.52 1.33 1.17 1.13 1.00 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 50 70 27 61 45 66 29 68 32 63 73 35 38 76 47 74 54 78 82 81 49 31 64 O O O O O O O O O O O O O O O O O O O O O O O -26.121 2.00 772 A 17.40 15.62 10.53 7.19 7.09 6.35 4.44 3.75 3.41 3.11 1.57 1.06 1.04 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 47 51 52 50 81 78 49 79 48 82 65 37 26 O O O O O O O O O O O O O -26.119 2.00 773 A 14.73 11.30 6.95 6.90 4.36 4.03 3.68 3.66 3.59 2.92 2.54 1.85 1.67 1.27 1.26 1.24 1.15 1.12 1.04 1.04 1.04 1.01 1.01 1.01 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 50 78 52 76 48 80 79 82 51 60 28 54 68 70 63 41 35 38 27 49 66 47 61 43 O O O O O O O O O O O O O O O O O O O O O O O O -26.114 2.00 774 A 21.77 19.12 8.93 5.81 4.46 4.19 3.88 3.41 1.89 1.79 1.54 1.38 1.31 1.10 1.04 1.03 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 S S S S S S S S S S S D:z2 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 -4.382 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 53 48 74 81 82 50 80 76 46 79 44 10 33 36 78 39 O O O O O O O O O O O W O O O O -26.110 2.00 775 A 33.12 12.90 7.16 4.66 4.59 4.50 3.04 2.54 2.48 2.32 1.46 1.34 2 2 2 2 2 2 2 2 2 2 2 2 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 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 54 46 53 80 76 51 79 48 52 47 82 74 O O O O O O O O O O O O -26.109 2.00 776 A 18.25 11.89 10.40 8.90 8.07 7.77 7.34 2.52 2.19 1.68 1.18 1.18 2 2 2 2 2 2 2 2 2 2 2 2 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 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 79 80 82 74 54 46 48 51 78 53 52 50 O O O O O O O O O O O O -26.103 2.00 777 A 30.21 22.99 20.06 4.78 3.69 1.35 1.34 1.30 1.22 1.08 1.01 2 2 2 2 2 2 2 3 2 2 3 S S S S S S S D:z2 S S D:xy -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 0.80 2.00 2.00 0.80 78 81 76 79 80 82 58 16 74 72 19 O O O O O O O W O O W -26.099 2.00 778 A 7.34 7.21 6.79 6.77 6.53 6.43 4.39 4.22 4.15 4.07 3.86 3.83 3.78 3.76 3.73 3.71 3.62 3.32 1.09 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 41 36 44 42 34 39 26 67 33 60 25 31 30 65 64 59 62 28 54 O O O O O O O O O O O O O O O O O O O -26.093 2.00 779 A 35.12 30.27 13.66 1.99 1.87 1.33 1.23 1.21 1.15 2 2 2 2 3 2 2 2 3 S S S S D:z2 S S S D:xz -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 -27.198 -27.198 -4.382 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 0.80 53 48 50 54 10 24 40 46 5 O O O O W O O O W -26.068 2.00 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1.00 1.00 2.00 1.00 1.00 0.00 0.00 2.00 96 84 93 134 127 135 136 125 126 84 112 132 88 94 95 111 C N C H H H H H H N C H N C C C -21.194 2.00 786 A 25.87 17.16 9.14 8.53 6.62 5.30 5.00 4.35 4.21 2.86 2.21 2.02 1.17 1.03 2 1 1 2 1 1 1 2 1 1 1 1 1 1 S P:y S S S S S S P:z S S P:x P:x S -15.871 -7.353 -6.581 -15.871 -6.581 -6.581 -6.581 -15.871 -7.353 -6.581 -6.581 -7.353 12.103 -6.581 2.00 1.00 1.00 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 0.00 1.00 92 83 124 90 123 122 117 89 83 115 118 83 122 114 C N H C H H H C N H H N H H -21.192 2.00 787 A 26.13 16.24 10.49 7.65 7.20 7.08 6.18 5.16 2.36 2.00 1.96 1.69 1.13 -1.09 1.04 1.04 -1.03 2 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 2 S P:y S S P:z S S S S S S S P:x P:y P:y S P:y -15.871 -7.353 -15.871 -6.581 -7.353 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 12.103 5.519 12.103 -6.581 5.519 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 0.00 0.00 0.00 1.00 0.00 104 86 102 158 86 159 160 153 154 152 151 101 159 101 160 156 103 C N C H N H H H H H H C H C H H C -21.186 2.00 788 A 27.16 9.54 9.34 8.70 7.25 6.73 6.07 5.15 4.84 3.71 3.71 1.33 1.21 1.19 1.06 1.04 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 S P:x P:z S S S S S P:y S S S P:x S P:y S -15.871 -7.353 -7.353 -6.581 -6.581 -6.581 -15.871 -15.871 -7.353 -6.581 -6.581 -6.581 12.103 -6.581 12.103 -6.581 2.00 1.00 1.00 1.00 1.00 1.00 2.00 2.00 1.00 1.00 1.00 1.00 0.00 1.00 0.00 1.00 101 86 86 150 151 149 102 103 86 157 152 153 150 156 149 158 C N N H H H C C N H H H H H H H -21.181 2.00 789 A 23.16 19.17 13.70 8.27 5.94 5.84 5.55 3.39 3.36 2.92 1.18 -1.16 -1.07 2 1 2 1 1 1 1 1 1 1 1 2 2 S P:z S S S S S S P:x S S P:z P:z -15.871 -7.353 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 -6.581 -6.581 5.519 5.519 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 0.00 108 87 106 170 171 172 166 165 87 164 162 107 105 C N C H H H H H N H H C C -21.180 2.00 790 A 19.30 16.30 14.56 8.13 6.62 5.62 5.56 4.49 4.43 3.28 1.50 1.24 -1.01 2 2 1 1 1 1 1 1 1 1 1 2 2 S S P:x P:z S S S S S S S S P:x -15.871 -15.871 -7.353 -7.353 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 5.519 2.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 0.00 90 89 83 83 113 118 116 115 117 114 119 91 91 C C N N H H H H H H H C C -21.175 2.00 791 A 26.29 15.91 9.67 7.86 7.63 6.85 5.23 4.99 2.65 2.52 2.40 2.15 1.70 -1.12 2 1 2 1 1 1 1 1 2 1 1 1 1 2 S P:x S S S S P:z S S S P:y S S P:x -15.871 -7.353 -15.871 -6.581 -6.581 -6.581 -7.353 -6.581 -15.871 -6.581 -7.353 -6.581 -6.581 5.519 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 0.00 100 85 97 147 146 148 85 139 99 144 85 137 138 99 C N C H H H N H C H N H H C -21.175 2.00 792 A 18.00 14.01 13.70 6.58 6.26 5.84 5.71 4.57 4.13 3.48 2.89 2.77 2.51 2.37 1.74 1.73 1.13 2 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 S P:z S P:x S S S S S S S P:y S S S S S -15.871 -7.353 -15.871 -7.353 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -7.353 -15.871 -6.581 -6.581 -6.581 -6.581 2.00 1.00 2.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 110 88 111 88 177 178 181 112 179 176 182 88 109 180 184 175 174 C N C N H H H C H H H N C H H H H -21.173 2.00 793 A 23.80 14.15 12.27 7.32 7.16 6.24 5.80 5.61 3.10 2.76 2.47 2.29 2.27 2 1 2 1 1 1 1 1 1 2 1 1 1 S P:x S S P:z S S S S S S S P:y -15.871 -7.353 -15.871 -6.581 -7.353 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -7.353 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 103 86 102 156 86 155 157 154 152 104 159 153 86 C N C H N H H H H C H H N -21.170 2.00 794 A 24.24 15.10 11.64 8.95 7.15 6.05 6.00 4.85 3.12 3.05 2.25 1.44 2 1 2 1 1 1 1 1 1 2 1 1 S P:z S S P:x S S S S S S P:y -15.871 -7.353 -15.871 -6.581 -7.353 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -7.353 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 99 85 98 143 85 142 144 145 141 97 138 85 C N C H N H H H H C H N -21.169 2.00 795 A 23.32 12.66 11.77 8.73 8.24 6.56 6.12 5.38 3.57 3.16 2.57 1.99 1.39 1.00 2 1 2 1 1 1 1 1 2 1 1 1 1 1 S P:x S P:y S S S S S S S P:z S P:z -15.871 -7.353 -15.871 -7.353 -6.581 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -7.353 -6.581 12.103 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 0.00 105 87 106 87 161 162 164 163 108 165 172 87 166 161 C N C N H H H H C H H N H H -21.160 2.00 796 A 27.77 11.16 8.40 7.70 7.63 6.78 6.33 6.21 4.32 2.55 2.55 1.54 1.52 1.29 1.28 1.21 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 S P:z S S S S P:y P:x S S S S S P:x S P:y -15.871 -7.353 -6.581 -6.581 -15.871 -6.581 -7.353 -7.353 -6.581 -15.871 -6.581 -6.581 -6.581 12.103 -6.581 12.103 2.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 0.00 1.00 0.00 91 83 120 119 89 121 83 83 114 92 123 113 118 121 115 120 C N H H C H N N H C H H H H H H -21.156 2.00 797 A 19.78 17.46 16.28 6.51 5.46 5.35 4.87 3.54 3.40 3.05 2.70 2.39 2.07 1.61 1.14 -1.04 -1.02 1.02 1 2 2 1 1 1 1 1 1 1 2 2 1 1 1 2 2 1 P:y S S S S S S S P:z S S S S S S P:y P:y S -7.353 -15.871 -15.871 -6.581 -6.581 -6.581 -6.581 -6.581 -7.353 -6.581 -15.871 -15.871 -6.581 -6.581 -6.581 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 2.00 2.00 1.00 1.00 1.00 0.00 0.00 1.00 85 98 97 137 141 140 138 142 85 139 100 99 148 145 147 100 99 144 N C C H H H H H N H C C H H H C C H -21.151 2.00 798 A 26.08 19.24 10.77 8.90 6.77 6.72 5.73 4.24 2.40 1.76 1.66 1.52 1.15 1.12 1.09 -1.09 -1.03 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 2 S P:y S S S S S P:z S S S S S P:x P:z P:y P:y -15.871 -7.353 -15.871 -6.581 -6.581 -6.581 -6.581 -7.353 -6.581 -6.581 -6.581 -15.871 -6.581 12.103 12.103 5.519 5.519 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 0.00 0.00 0.00 0.00 109 88 110 173 174 175 176 88 178 179 177 111 184 175 173 112 110 C N C H H H H N H H H C H H H C C -21.140 2.00 799 A 28.38 14.85 8.72 8.55 7.28 7.02 5.20 3.56 3.22 2.95 1.90 1.59 1.54 1.16 1.04 2 1 1 1 1 1 2 1 2 1 1 2 1 1 1 S P:y S S P:x S S S S S S S P:z P:z P:y -15.871 -7.353 -6.581 -6.581 -7.353 -6.581 -15.871 -6.581 -15.871 -6.581 -6.581 -15.871 -7.353 12.103 12.103 2.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 2.00 1.00 1.00 2.00 1.00 0.00 0.00 107 87 169 167 87 168 105 163 106 165 171 108 87 169 167 C N H H N H C H C H H C N H H -21.135 2.00 800 A 28.65 16.49 9.07 7.80 7.18 4.77 4.61 3.53 2.82 2.50 2.44 2.40 2.38 1.28 -1.03 2 1 1 1 1 1 2 1 2 1 1 2 1 1 2 S P:x S S S P:z S S S S P:y S S P:z P:x -15.871 -7.353 -6.581 -6.581 -6.581 -7.353 -15.871 -6.581 -15.871 -6.581 -7.353 -15.871 -6.581 12.103 5.519 2.00 1.00 1.00 1.00 1.00 1.00 2.00 1.00 2.00 1.00 1.00 2.00 1.00 0.00 0.00 94 84 130 129 128 84 95 131 93 125 84 96 136 130 95 C N H H H N C H C H N C H H C -17.828 2.00 801 A 10.40 6.06 6.06 5.99 5.96 4.40 4.34 4.33 4.31 4.27 4.24 4.12 4.10 4.05 3.23 3.00 2.87 2.70 2.58 1.96 1.72 1.63 1.19 1.09 -1.04 1.03 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 S S S S S S S S S S S S S S S P:x S S P:y P:z P:z P:y P:y P:x S P:x -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 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122 116 N C C C C H H H H H H H H H C C H H H C C C C H H -17.816 2.00 803 A 7.87 4.59 4.53 4.38 4.37 3.32 3.24 3.22 3.22 3.13 3.10 3.07 3.03 3.01 2.89 2.73 2.34 2.31 2.21 1.85 1.57 1.56 1.56 1.55 1.51 1.37 1.26 1.21 1.13 1.10 1.10 1.09 1.06 1.05 1.03 1.01 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 S S S S S S S S S S S S S S S S S P:z S P:x S S S S P:y P:y S S S S S S S S S S -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 -21.259 -6.581 -5.048 -6.581 -5.048 -15.871 -15.871 -15.871 -15.871 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 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 2.00 1.00 0.67 1.00 0.67 2.00 2.00 2.00 2.00 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 84 94 93 95 96 130 132 127 131 135 126 136 134 125 129 88 128 95 133 94 111 109 112 110 96 93 182 184 178 180 174 176 181 173 179 175 N C C C C H H H H H H H H H H N H C H C C C C C C C H H H H H H H H H H -17.812 2.00 804 A 7.87 4.48 4.47 4.47 4.45 3.31 3.24 3.20 3.19 3.15 3.10 3.09 3.05 3.05 2.74 2.72 2.34 2.28 2.25 2.17 1.99 1.58 1.58 1.54 1.52 1.16 1.14 1.14 1.12 1.10 1.10 1.07 1.07 1.07 2 2 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 S S S S S S S S S S S S S S S S S P:y S P:x P:z S S S S S P:z S S S S S S S -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 -21.259 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -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 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 0.67 1.00 0.67 0.67 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 88 109 110 111 112 178 174 180 176 173 184 181 182 179 84 175 177 109 183 111 110 93 94 96 95 132 112 130 127 131 135 136 126 125 N C C C C H H H H H H H H H N H H C H C C C C C C H C H H H H H H H -17.811 2.00 805 A 10.55 6.15 6.14 6.13 5.95 4.52 4.48 4.34 4.32 4.32 4.26 4.17 4.13 4.11 3.56 2.74 2.74 2.05 1.95 1.80 1.79 1.25 1.20 -1.06 -1.04 1.04 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 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 P:y P:y S S 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 -5.048 -5.048 3.073 3.073 -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 0.67 0.67 0.00 0.00 0.67 85 99 98 97 100 142 143 144 147 141 148 138 137 139 146 140 145 100 98 97 99 99 98 145 140 97 N C C C C H H H H H H H H H H H H C C C C C C H H C -17.805 2.00 806 A 10.66 6.04 6.03 5.99 5.92 4.52 4.48 4.35 4.24 4.20 4.20 4.08 4.06 4.02 3.97 3.34 2.83 2.69 2.47 1.78 1.76 1.46 1.40 -1.09 1.04 1.02 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 S S S S S S S S S S S S S S S S P:z S P:y P:y P:x P:z P:x S 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1.30 1.26 1.25 1.21 1.21 1.20 1.18 1.18 1.10 1.10 1.10 1.09 1.08 1.06 1.04 1 3 1 3 1 1 3 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 3 1 3 1 1 3 1 P:x D:yz P:x D:yz P:z P:x D:yz P:y P:z P:z P:z P:y P:x P:z P:x P:y P:z P:z D:yz P:y P:x P:z P:z D:xz P:y D:yz P:z P:x D:xy P:y -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 63 15 29 11 31 70 17 30 64 39 33 61 66 62 38 28 41 44 6 27 32 34 36 9 65 20 42 73 16 68 O W O W O O W O O O O O O O O O O O W O O O O W O W O O W O -14.893 2.00 810 A 4.52 4.02 3.18 3.00 2.97 2.86 2.81 2.75 2.35 2.32 2.28 2.24 2.24 1.96 1.87 1.73 1.64 1.53 1.49 1.27 1.20 1.15 1.15 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 P:x P:x P:x P:x P:y P:x P:x P:y P:y P:y P:x P:y P:x P:z P:z P:y P:z P:y P:z P:y P:y D:yz P:y D:xy -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -7.353 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -5.048 -4.382 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.67 0.80 1.33 0.80 63 29 38 32 27 70 66 61 83 35 73 68 45 27 61 32 68 66 35 73 92 6 45 8 O O O O O O O O N O O O O O O O O O O O C W O W -14.889 2.00 811 A 4.09 4.07 3.98 3.82 3.02 2.86 2.61 2.57 2.35 2.30 2.29 2.28 2.16 1.89 1.80 1.43 1.38 1.36 1.34 1.32 1.31 1.18 1.11 1.11 1.05 1.02 1.00 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 3 3 1 3 P:z P:z P:z P:z P:y P:y P:y P:z P:z P:y P:z P:y D:yz P:x P:x P:x P:z P:y P:y P:y P:x P:y P:y D:yz D:yz P:z D:yz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 31 36 33 39 65 67 30 64 42 39 44 36 15 71 40 25 59 37 44 42 67 69 59 13 17 25 4 O O O O O O O O O O O O W O O O O O O O O O O W W O W -14.887 2.00 812 A 4.53 4.51 4.49 4.42 2.63 2.59 2.56 2.21 2.20 2.20 2.20 2.14 2.13 1.92 1.90 1.85 1.63 1.36 1.10 1.09 1.08 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 3 3 P:y P:z P:z P:z P:y P:x P:y P:z P:z P:y P:z P:z P:y P:x P:x D:yz P:z P:y P:y P:y D:yz D:yz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 28 41 62 34 41 26 34 60 44 60 64 26 30 72 43 11 42 44 72 43 18 9 O O O O O O O O O O O O O O O W O O O O W W -14.861 2.00 813 A 17.89 6.50 4.96 4.23 3.42 3.39 3.11 3.08 2.87 2.86 2.61 2.35 2.21 2.02 1.81 1.56 1.23 1.23 1.13 1.02 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 P:x P:x P:x P:x P:z S S P:y S P:z S S S S S S P:z S P:y P:z -7.353 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -7.353 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 1.00 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 2.00 1.00 1.00 1.00 0.67 1.00 0.67 0.67 88 111 109 110 112 181 179 112 184 86 182 174 111 178 177 175 110 180 111 102 N C C C C H H C H N H H C H H H C H C C -14.860 2.00 814 A 9.77 4.96 4.37 3.51 3.46 3.11 2.93 2.76 2.45 2.15 2.04 2.03 2.01 2.00 1.93 1.89 1.79 1.72 1.70 1.64 1.59 1.52 1.49 1.47 1.46 1.38 1.32 1.23 1.12 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 2 1 1 1 1 2 1 1 1 P:z P:z P:y P:z P:y P:y P:y P:y S P:y P:x P:z S S P:z S S P:x S P:z P:z S S S S S P:x S S S S -7.353 -7.353 -7.353 -5.048 -5.048 -5.048 -5.048 -7.353 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -15.871 -6.581 -6.581 -6.581 -5.048 -15.871 -6.581 -6.581 -6.581 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.67 1.00 2.00 1.00 1.00 1.00 0.67 2.00 1.00 1.00 1.00 86 84 84 102 104 95 93 86 160 101 101 104 150 125 94 157 159 96 132 103 96 135 104 153 149 127 103 93 152 131 128 N N N C C C C N H C C C H H C H H C H C C H C H H H C C H H H -14.860 2.00 815 A 6.91 5.96 4.18 3.62 3.42 2.57 2.44 2.37 2.32 2.15 1.77 1.73 1.71 1.65 1.65 1.50 1.44 1.42 1.41 1.41 1.38 1.35 1.31 1.30 1.27 1.22 1.21 1.18 1.18 1.16 1.09 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 2 1 1 1 1 1 1 1 1 P:z P:y P:z P:x P:y P:y P:y P:z P:x S S S S P:z P:y P:x S P:y P:y P:x P:y S P:z S P:z S P:x S S P:z S S -7.353 -7.353 -7.353 -7.353 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -7.353 -5.048 -6.581 -7.353 -5.048 -5.048 -5.048 -6.581 -5.048 -15.871 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 0.67 2.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 86 84 84 88 95 93 104 102 96 125 160 135 132 94 86 101 150 83 101 111 94 157 96 93 104 126 93 128 159 103 127 153 N N N N C C C C C H H H H C N C H N C C C H C C C H C H H C H H -14.854 2.00 816 A 14.04 5.90 5.71 4.84 3.91 3.78 3.73 3.52 3.38 3.25 2.71 2.64 2.52 2.20 2.17 1.85 1.82 1.67 1.62 1.59 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 P:y P:z P:y P:z P:y P:y S S S S P:x S S S S S P:z P:z P:x S -7.353 -7.353 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -15.871 -5.048 -5.048 -5.048 -15.871 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 1.00 2.00 0.67 0.67 0.67 2.00 83 83 92 90 89 91 123 116 118 122 90 113 120 115 119 92 91 89 92 90 N N C C C C H H H H C H H H H C C C C C -14.851 2.00 817 A 10.94 10.53 8.30 7.17 6.71 6.55 6.29 5.85 4.42 3.47 3.43 3.26 2.32 2.16 1.80 1.54 1.36 1.12 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 P:y P:x P:z S P:x S S S P:z P:z P:y P:z P:x S P:y P:x P:x S S -7.353 -7.353 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -7.353 -5.048 -15.871 -5.048 -5.048 -5.048 -6.581 -15.871 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 1.00 0.67 2.00 0.67 0.67 0.67 1.00 2.00 86 86 101 151 102 154 155 158 104 103 103 86 104 101 102 103 101 150 102 N N C H C H H H C C C N C C C C C H C -14.848 2.00 818 A 18.33 7.74 5.41 4.74 4.19 4.17 3.75 3.66 2.92 2.54 2.31 2.16 2.07 1.92 1.89 1.50 1.19 1.13 1.10 1.04 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 P:x P:x P:x S S P:z P:x S S S S P:y S P:y P:z S S P:x P:z S -7.353 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -15.871 -5.048 -6.581 -5.048 -7.353 -6.581 -6.581 -7.353 -5.048 -6.581 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 1.00 1.00 2.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 1.00 83 89 91 114 117 90 92 124 121 115 89 90 118 92 83 119 122 86 89 113 N C C H H C C H H H C C H C N H H N C H -14.846 2.00 819 A 10.94 8.90 7.89 4.64 4.43 3.82 3.50 3.45 3.37 3.27 3.22 2.98 2.90 2.53 2.18 2.17 2.11 2.10 1.93 1.92 1.78 1.54 1.32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 P:y P:z P:z S S P:x P:x S S S S P:z P:y P:y P:x P:y P:z S S S S P:z P:x -7.353 -5.048 -7.353 -6.581 -6.581 -5.048 -7.353 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -15.871 -6.581 -15.871 -5.048 -5.048 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 2.00 1.00 2.00 0.67 0.67 84 95 84 136 133 96 84 126 131 129 134 93 96 94 94 93 96 127 95 130 96 94 93 N C N H H C N H H H H C C C C C C H C H C C C -14.844 2.00 820 A 10.06 6.72 6.55 5.15 3.74 3.67 3.45 3.09 2.90 2.86 2.67 2.50 2.46 2.25 1.89 1.84 1.75 1.64 1.63 1.51 1.47 1.37 1.35 1.11 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 P:x P:y P:y P:x S S P:z P:x S S S P:x S P:y S P:y S P:z S P:x S P:y P:x P:z P:z -7.353 -7.353 -5.048 -5.048 -6.581 -6.581 -7.353 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -7.353 -15.871 -5.048 -15.871 -5.048 -5.048 -5.048 -5.048 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 2.00 0.67 2.00 0.67 0.67 0.67 0.67 86 86 102 103 152 156 87 104 153 157 159 101 149 101 150 103 160 86 102 108 103 104 106 107 105 N N C C H H N C H H H C H C H C H N C C C C C C C -14.843 2.00 821 A 15.28 6.49 5.27 4.66 4.63 3.60 3.50 2.99 2.77 2.61 2.35 2.12 2.10 2.03 1.92 1.77 1.50 1.45 1.42 1.20 1.15 1.10 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 P:z P:x P:x P:z P:z S S S P:x S S P:x S S S S P:x P:y P:y P:z P:z P:x S -7.353 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -7.353 -6.581 -6.581 -7.353 -6.581 -6.581 -15.871 -6.581 -7.353 -7.353 -5.048 -5.048 -5.048 -5.048 -15.871 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 1.00 2.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 2.00 87 108 106 107 105 171 164 172 87 165 161 86 169 168 108 162 83 86 102 108 106 103 106 N C C C C H H H N H H N H H C H N N C C C C C -14.839 2.00 822 A 10.63 6.02 4.55 3.60 3.47 2.74 2.72 2.61 2.42 2.34 2.33 2.33 2.16 2.08 2.01 2.00 1.98 1.95 1.88 1.83 1.68 1.65 1.53 1.49 1.46 1.43 1.40 1.40 1.40 1.39 1.35 1.26 1.16 1.13 1.04 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:y S P:z P:y P:x P:y S P:x S S S S S P:x P:y S S S P:y S P:z S P:x S S S P:y P:x P:y P:x S -7.353 -7.353 -5.048 -5.048 -7.353 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -7.353 -15.871 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -7.353 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 0.67 1.00 1.00 2.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 1.00 83 85 91 92 83 120 89 90 90 91 119 83 91 121 145 116 113 100 98 148 141 115 85 138 97 123 92 124 122 117 89 99 99 89 118 N N C C N H C C C C H N C H H H H C C H H H N H C H C H H H C C C C H -14.839 2.00 823 A 11.84 4.88 4.83 4.28 4.21 4.10 3.56 3.48 3.27 3.25 2.74 2.30 1.96 1.93 1.86 1.77 1.71 1.70 1.68 1.56 1.34 1.29 1.11 1.10 1.09 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 P:z P:z P:x S P:y S P:y S P:x S P:z P:y P:y P:z P:z S P:y S P:z S P:y P:z S S S P:x -7.353 -7.353 -5.048 -6.581 -7.353 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -7.353 -6.581 -5.048 -15.871 -5.048 -5.048 -6.581 -15.871 -6.581 -7.353 1.00 1.00 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 2.00 0.67 0.67 1.00 2.00 1.00 1.00 85 83 100 145 85 148 98 141 99 138 97 97 99 91 99 143 83 146 92 99 90 89 120 100 121 85 N N C H N H C H C H C C C C C H N H C C C C H C H N -14.838 2.00 824 A 19.50 7.84 6.72 6.33 5.99 5.34 5.27 5.01 4.95 4.30 2.59 1.92 1.90 1.74 1.66 1.65 1.62 1.18 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 P:z P:x P:z S S S S P:z P:y P:y P:z S S S S P:x P:x P:y -7.353 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -7.353 -5.048 -15.871 -6.581 -6.581 -15.871 -5.048 -5.048 -5.048 1.00 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 2.00 1.00 1.00 2.00 0.67 0.67 0.67 88 112 109 176 183 173 180 111 110 88 110 112 184 177 110 111 110 112 N C C H H H H C C N C C H H C C C C -14.836 2.00 825 A 13.64 7.38 6.35 6.26 5.95 5.92 5.37 5.33 5.14 4.75 3.23 2.83 2.64 2.50 2.36 2.26 2.15 1.89 1.68 1.58 1.34 1.30 1.19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 P:x P:z P:z S P:y S P:z P:y S S P:y P:y S S S P:z P:x P:x P:x S S P:y S -7.353 -5.048 -5.048 -6.581 -7.353 -6.581 -7.353 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -15.871 -5.048 -5.048 -5.048 -5.048 -15.871 -6.581 -5.048 -6.581 1.00 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 1.00 2.00 0.67 0.67 0.67 0.67 2.00 1.00 0.67 1.00 85 98 100 140 85 147 85 99 144 137 97 98 142 146 98 97 99 97 100 100 139 100 143 N C C H N H N C H H C C H H C C C C C C H C H -14.833 2.00 826 A 19.48 8.79 7.82 7.59 7.13 7.03 6.99 6.69 6.63 4.18 1.75 1.27 1.17 1 1 1 1 1 1 1 1 1 1 2 2 1 P:x P:z P:y P:y S P:z S S S P:z S S P:y -7.353 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -7.353 -15.871 -15.871 -7.353 1.00 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 2.00 2.00 1.00 87 106 107 105 163 108 166 167 170 87 106 105 87 N C C C H C H H H N C C N -14.828 2.00 827 A 13.47 10.11 7.76 6.81 6.42 6.23 5.14 4.00 3.94 3.11 2.88 2.74 2.71 2.27 1.89 1.87 1.61 1.59 1.55 1.51 1.21 1.17 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 P:y P:x P:x P:z P:y P:x S S S S S S S P:y S S S S P:z P:z P:z P:x P:x -7.353 -7.353 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -15.871 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -7.353 -5.048 -5.048 -5.048 -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 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 85 85 97 99 100 98 139 143 142 97 146 137 138 97 144 141 147 148 85 98 97 100 99 N N C C C C H H H C H H H C H H H H N C C C C -14.824 2.00 828 A 11.63 6.65 5.94 4.43 3.75 3.36 3.23 3.06 3.05 2.62 2.61 2.51 2.47 2.44 2.27 2.18 2.13 2.07 1.70 1.69 1.63 1.57 1.36 1.34 1.30 1.29 1.22 1.17 1.16 1.03 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 P:y P:x P:y P:z P:z P:y S S P:x P:x S P:z S P:y S S P:z P:y S S S S P:x S P:z S S P:z S S S S -7.353 -7.353 -5.048 -5.048 -7.353 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -7.353 -5.048 -6.581 -15.871 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -15.871 -5.048 -6.581 -6.581 -15.871 -6.581 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 0.67 1.00 2.00 1.00 1.00 0.67 1.00 0.67 1.00 2.00 0.67 1.00 1.00 2.00 1.00 88 84 109 110 88 111 175 178 94 95 174 112 182 112 177 179 84 96 128 109 181 184 93 135 93 132 94 111 130 129 110 125 N N C C N C H H C C H C H C H H N C H C H H C H C H C C H H C H -14.822 2.00 829 A 12.89 8.06 4.69 4.65 4.40 3.71 2.76 2.62 2.52 2.52 2.35 2.33 2.09 2.06 2.04 2.01 1.98 1.86 1.80 1.79 1.67 1.64 1.59 1.43 1.41 1.37 1.31 1.13 1.10 1.02 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 2 1 P:x P:y P:x P:x P:y P:y S P:x S P:z S P:y S S P:z S P:z S P:z S S S S S P:y S S S S P:y -7.353 -7.353 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -7.353 -6.581 -5.048 -6.581 -15.871 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -15.871 -5.048 1.00 1.00 0.67 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 1.00 2.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 1.00 2.00 0.67 84 88 95 94 96 109 128 93 130 84 135 111 175 94 110 132 112 178 93 134 125 127 182 179 94 129 131 174 109 110 N N C C C C H C H N H C H C C H C H C H H H H H C H H H C C -14.815 2.00 830 A 23.83 7.99 7.54 7.16 7.05 4.87 4.54 4.27 4.22 3.62 3.53 2.62 2.55 2.47 2.01 1.85 1.54 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 P:y P:x P:x P:y P:y S S S S S S S S S P:y S P:y -7.353 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -15.871 -5.048 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3.15 2.87 2.85 2.77 2.74 2.43 1.72 1.65 1.64 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 P:z P:z P:y P:y P:y P:x P:z P:x P:z P:z P:z P:y P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -5.658 -5.658 -9.955 -9.955 -9.955 -5.658 -5.658 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.00 1.00 58 24 58 24 55 56 57 22 2 1 21 23 23 2 1 O O O O O O O O P P O O O P P -14.662 2.00 833 A 8.60 8.56 5.29 5.18 3.67 3.56 2.99 2.73 2.37 2.15 2.01 1.97 1.67 1.33 1.31 1.16 1.15 1.01 1 1 1 1 1 1 1 1 1 1 3 3 1 2 2 3 3 3 P:z P:z P:y P:y P:y P:x P:x P:z P:z P:y P:z P:z P:x P:z P:z P:y P:y D:x2-y2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 2.910 2.910 -9.955 -5.658 -5.658 2.910 2.910 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.00 1.00 0.00 0.00 0.80 24 58 24 58 55 56 22 57 21 23 1 2 23 1 2 2 1 5 O O O O O O O O O O P P O P P P P W -14.539 2.00 834 A 7.24 6.59 5.03 4.39 4.38 4.29 3.98 3.84 3.30 2.58 2.04 1.99 1.84 1.70 1.59 1.53 1.27 1.16 1.09 1.08 1.07 1.06 1.02 1 1 1 1 1 1 1 1 1 1 3 1 1 3 1 3 3 3 1 1 3 3 1 P:z P:z P:z P:y P:z P:y P:y P:y P:z P:z D:yz P:y P:y D:yz P:z D:yz D:z2 D:yz P:z P:x D:z2 D:yz P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 39 44 31 39 64 30 44 65 36 33 3 36 67 4 42 13 4 15 34 65 12 12 62 O O O O O O O O O O W O O W O W W W O O W W O -14.536 2.00 835 A 6.63 5.50 4.65 3.92 3.31 3.31 3.22 2.74 2.57 2.31 2.20 2.18 2.18 2.15 2.12 1.85 1.82 1.77 1.63 1.55 1.48 1.47 1.42 1.38 1.25 1.16 1.13 1 1 1 1 1 1 1 1 1 1 1 3 1 1 3 3 1 1 3 1 1 3 1 1 3 3 3 P:z P:z P:z P:y P:y P:y P:z P:y P:z P:x P:y D:yz P:z P:z D:yz D:yz P:x P:z D:yz P:y P:z D:yz P:y P:z D:yz D:yz D:z2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 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O O O O O W O O W O O O O W O O O O O O O O W O O W -13.316 2.00 850 A 3.44 3.01 2.81 2.40 2.06 2.03 2.02 1.97 1.92 1.85 1.66 1.55 1.40 1.30 1.30 1.28 1.25 1.25 1.22 1.19 1.18 1.18 1.13 1.12 1.10 1.09 1.09 1.07 1.05 1.04 1.04 1.01 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 3 1 1 1 1 1 1 3 1 3 1 1 3 3 1 P:y P:y P:y P:y P:z P:z P:z P:z P:y P:y P:z P:z D:xy P:z P:z P:y P:x D:xz P:z P:y P:z P:y P:z P:x D:xz P:x D:yz P:y P:z D:xy D:z2 P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 58 24 37 55 69 39 58 44 69 43 24 21 5 72 40 38 72 16 78 39 57 50 41 64 14 28 4 44 37 19 16 31 O O O O O O O O O O O O W O O O O W O O O O O O W O W O O W W O -13.263 2.00 851 A 4.22 3.69 3.42 3.15 2.93 2.91 2.91 2.85 2.50 2.20 1.93 1.72 1.71 1.67 1.37 1.17 1.16 1.06 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 3 1 3 3 3 P:z P:z P:y P:x P:z P:y P:x P:x P:y P:y P:z P:z D:z2 P:z P:z D:yz P:x D:xz D:z2 D:yz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 31 62 65 58 64 28 24 26 60 30 26 30 10 28 60 14 60 16 15 18 O O O O O O O O O O O O W O O W O W W W -13.259 2.00 852 A 4.03 3.39 2.81 2.74 2.69 2.30 2.23 2.15 2.05 1.83 1.75 1.51 1.49 1.38 1.31 1.26 1.25 1.25 1.23 1.22 1.11 1.09 1.07 1.04 1.03 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 3 3 1 1 1 3 1 1 1 3 P:z P:y P:z P:z P:y P:y P:x P:y P:y P:z P:z P:y P:z D:x2-y2 P:y P:x D:xz D:z2 P:z P:z P:z D:z2 P:y P:y P:x D:z2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 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2.96 2.77 2.60 2.60 2.57 2.54 2.35 2.35 2.34 2.15 2.13 2.11 2.09 1.96 1.70 1.69 1.67 1.63 1.62 1.58 1.52 1.28 1.25 1.24 1.19 1.18 1.13 1.00 1 1 1 1 3 1 1 3 1 1 1 1 3 1 3 1 1 1 1 1 3 1 3 1 3 1 1 1 1 1 P:y P:x P:x P:x D:xy P:z P:x D:x2-y2 P:x P:z P:y P:y D:yz P:y D:z2 P:x P:x P:z P:y P:z D:z2 P:z D:xz P:x D:xz P:x P:z P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 40 31 37 30 10 43 65 16 64 71 33 25 5 72 19 69 60 28 62 26 7 67 7 72 14 26 29 67 59 66 O O O O W O O W O O O O W O W O O O O O W O W O W O O O O O -13.155 2.00 855 A 3.32 3.24 2.25 2.14 2.06 1.81 1.79 1.79 1.76 1.62 1.50 1.47 1.47 1.46 1.44 1.42 1.39 1.39 1.24 1.23 1.20 1.06 1 1 1 1 1 1 1 3 1 1 1 3 3 1 1 3 1 1 1 1 1 1 P:x P:x P:y P:z P:y P:z P:z D:z2 P:z P:y P:y D:x2-y2 D:xy P:y P:x D:z2 P:z P:z P:y P:z P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 58 24 25 59 33 27 66 17 61 42 36 15 7 27 67 6 28 45 32 69 60 35 O O O O O O O W O O O W W O O W O O O O O O -13.151 2.00 856 A 2.81 2.26 2.26 2.26 2.23 2.21 2.21 2.15 2.14 2.13 2.01 1.98 1.92 1.91 1.81 1.76 1.73 1.52 1.36 1.28 1.27 1.21 1.17 1.17 1.15 1.11 1.11 1.10 1.08 1.05 1.05 1.05 1 1 3 1 3 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 3 1 1 3 1 3 1 1 P:z P:x D:xz P:y D:xz P:x P:y D:xy P:x P:y P:x P:y P:z P:x P:x P:z P:x P:y P:z P:z D:xy P:x P:z P:z D:x2-y2 P:z P:y D:xy P:x D:z2 P:z P:z -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 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O O O O O O O O O O O O O O O W O W O W -13.051 2.00 858 A 4.82 4.78 4.39 4.19 3.09 2.28 2.27 2.16 1.55 1.45 1.40 1.39 1.35 1.30 1.25 1.23 1.16 1.16 1.14 1.07 1.02 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 P:y P:z P:x P:x P:x P:z P:x P:y P:y P:z P:z P:y D:yz P:z P:y P:y P:z P:z P:z P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 28 62 26 25 59 60 60 30 60 33 57 64 12 65 23 59 26 67 64 66 55 O O O O O O O O O O O O W O O O O O O O O -12.973 2.00 859 A 4.95 4.81 3.60 3.57 3.54 3.51 3.50 3.50 3.49 3.44 3.41 3.40 2.40 2.25 2.24 2.19 2.16 2.09 2.08 1.99 1.99 1.85 1.79 1.62 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 P:x P:x P:z P:y P:z P:z P:z P:z P:x P:x P:y P:z P:z P:y P:z P:y P:y P:y P:y P:y P:y P:y D:x2-y2 D:xy D:xy D:xz -9.955 -9.955 -9.955 -9.955 -9.955 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4 O O O O W O W O O O O W O O W O O O O O O W -12.853 2.00 861 A 4.29 3.56 2.83 2.62 2.57 2.43 2.21 2.06 1.99 1.98 1.88 1.72 1.69 1.66 1.62 1.49 1.34 1.29 1.19 1.16 1.12 1.08 1.07 1.06 1.04 1.01 1.00 1.00 1 1 1 1 3 1 1 1 1 1 3 1 1 1 1 1 3 3 3 3 1 1 1 1 3 1 1 1 P:x P:x P:z P:x D:x2-y2 P:x P:x P:z P:y P:y D:xz P:x P:z P:x P:x P:x D:xz D:xy D:xy D:x2-y2 P:x P:y P:x P:x D:z2 P:x P:z P:x -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 55 21 32 66 12 42 27 56 66 22 8 36 61 57 61 77 15 17 6 17 82 44 49 29 3 63 79 32 O O O O W O O O O O W O O O O O W W W W O O O O W O O O -12.825 2.00 862 A 2.30 2.08 2.02 1.88 1.87 1.61 1.55 1.44 1.34 1.32 1.29 1.27 1.26 1.21 1.17 1.12 1.11 1.07 1.05 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:z P:x P:x P:x P:z P:x P:z P:z P:x P:y P:x P:x P:x P:y P:y P:z P:x P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 23 62 67 60 21 26 41 22 65 28 27 33 61 29 49 23 63 34 57 56 34 O O O O O O O O O O O O O O O O O O O O O -12.818 2.00 863 A 1.78 1.78 1.74 1.74 1.64 1.62 1.48 1.40 1.37 1.32 1.32 1.27 1.20 1.16 1.14 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 P:z P:z P:y P:x P:x P:x P:z P:z P:z P:x D:x2-y2 P:y P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 39 36 64 59 71 25 66 44 30 40 8 69 42 32 63 O O O O O O O O O O W O O O O -12.781 2.00 864 A 2.43 1.71 1.60 1.55 1.54 1.45 1.45 1.41 1.38 1.32 1.28 1.27 1.25 1.25 1.23 1.19 1.18 1.13 1.13 1.11 1.11 1.10 1.09 1.07 1.05 1.03 1.03 1.01 1 1 1 1 1 1 3 1 3 1 1 1 1 3 1 1 1 1 1 1 1 1 1 3 1 1 1 1 P:x P:x P:x P:y P:z P:x D:xy P:z D:x2-y2 P:y P:y P:z P:y D:xz P:y P:x S P:x S P:z P:y S S D:xy S P:x S P:y -5.048 -9.955 -9.955 -9.955 -5.048 -5.048 -4.382 -5.048 -4.382 -9.955 -9.955 -9.955 -5.048 -4.382 -5.048 -5.048 -6.581 -5.048 -6.581 -9.955 -9.955 -6.581 -6.581 -4.382 -6.581 -9.955 -6.581 -5.048 0.67 1.33 1.33 1.33 0.67 0.67 0.80 0.67 0.80 1.33 1.33 1.33 0.67 0.80 0.67 0.67 1.00 0.67 1.00 1.33 1.33 1.00 1.00 0.80 1.00 1.33 1.00 0.67 95 59 75 79 107 106 15 94 17 77 64 66 106 13 108 96 131 105 130 73 63 165 166 13 169 74 134 93 C O O O C C W C W O O O C W C C H C H O O H H W H O H C -12.757 2.00 865 A 3.52 2.77 2.40 2.19 2.07 2.03 1.72 1.69 1.61 1.51 1.44 1.43 1.38 1.28 1.25 1.20 1.16 1.13 1.12 1.07 1.07 1.07 1.04 1.04 1.04 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 1 1 1 1 1 1 1 P:x P:z P:y P:x S P:z P:y P:z S S P:x S P:z P:y P:x P:x P:y D:xy D:xy D:x2-y2 P:y P:z S P:y P:z S S -5.048 -5.048 -5.048 -9.955 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -5.048 -6.581 -9.955 -9.955 -6.581 -6.581 0.67 0.67 0.67 1.33 1.00 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.67 1.00 1.33 1.33 1.00 1.00 91 92 90 35 121 89 104 103 160 124 101 117 102 29 27 72 34 6 4 9 45 104 157 58 32 114 150 C C C O H C C C H H C H C O O O O W W W O C H O O H H -12.739 2.00 866 A 2.90 2.44 2.13 2.01 1.95 1.74 1.64 1.52 1.52 1.44 1.40 1.40 1.36 1.27 1.27 1.20 1.20 1.18 1.12 1.10 1.09 1.06 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 P:x P:y P:y P:x P:x P:y P:x P:y P:x P:x P:x P:z P:z P:z P:z D:x2-y2 P:z P:x P:x P:y S S P:y -9.955 -5.048 -5.048 -9.955 -5.048 -9.955 -5.048 -9.955 -5.048 -5.048 -9.955 -9.955 -9.955 -5.048 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -6.581 -6.581 -9.955 1.33 0.67 0.67 1.33 0.67 1.33 0.67 1.33 0.67 0.67 1.33 1.33 1.33 0.67 1.33 0.80 1.33 1.33 1.33 1.33 1.00 1.00 1.33 58 103 101 24 102 43 104 41 98 99 71 42 41 100 34 19 40 40 81 71 158 151 36 O C C O C O C O C C O O O C O W O O O O H H O -12.730 2.00 867 A 2.55 2.35 2.20 1.98 1.84 1.72 1.26 1.24 1.23 1.11 1.05 1.04 1.04 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 P:y P:x P:y P:y P:x P:y P:y P:z P:y P:x P:y D:z2 P:y P:x P:x -5.048 -5.048 -5.048 -9.955 -5.048 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -5.048 -9.955 0.67 0.67 0.67 1.33 0.67 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.67 1.33 103 104 101 37 102 39 24 44 58 40 32 14 69 95 61 C C C O C O O O O O O W O C O -12.718 2.00 868 A 2.93 2.43 1.93 1.76 1.73 1.54 1.50 1.49 1.48 1.45 1.38 1.35 1.10 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z S S S P:x P:y P:x P:x P:z S P:z P:z -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 100 97 145 148 141 99 89 98 92 99 138 98 96 C C H H H C C C C C H C C -12.711 2.00 869 A 6.29 5.64 5.28 4.93 3.46 3.18 3.16 3.02 2.36 2.25 1.61 1.50 1.30 1.25 1.18 1.16 1.14 1.09 1.07 1.04 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:z P:y S S S S P:z P:z P:x P:x P:y P:x S P:y P:z P:x S S P:x -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 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 1.00 1.00 0.67 90 92 89 91 123 116 120 113 103 102 101 92 104 95 160 89 91 91 157 150 104 C C C C H H H H C C C C C C H C C C H H C -12.702 2.00 870 A 5.03 4.55 4.40 4.37 2.03 1.98 1.96 1.94 1.84 1.80 1.72 1.60 1.57 1.40 1.34 1.25 1.12 1.12 1.08 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 S S S S S S S P:x S P:z S S P:x -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 -5.048 -6.581 -5.048 -6.581 -6.581 -9.955 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 0.67 1.00 0.67 1.00 1.00 1.33 103 102 104 101 109 111 155 158 154 151 159 152 156 110 149 112 182 179 24 C C C C C C H H H H H H H C H C H H O -12.696 2.00 871 A 5.58 5.08 4.46 3.35 2.80 2.60 2.42 2.36 2.22 2.22 2.14 2.01 1.97 1.76 1.75 1.74 1.67 1.57 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:x P:y S S S P:x S P:y P:y P:x P:x S S S S S -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 111 109 112 110 110 184 181 177 92 174 90 89 112 91 176 183 173 180 122 C C C C C H H H C H C C C C H H H H H -12.694 2.00 872 A 2.83 2.65 2.55 2.09 2.05 2.01 1.96 1.95 1.85 1.83 1.78 1.76 1.74 1.63 1.52 1.42 1.40 1.39 1.33 1.31 1.30 1.30 1.29 1.26 1.25 1.25 1.21 1.20 1.18 1.16 1.13 1.10 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:y P:x S P:y P:z P:x P:x S P:x S P:y S P:y S S S P:y S P:y P:y P:z S P:y P:x P:x P:x P:z S P:y S P:y -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 0.67 1.00 0.67 0.67 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 1.00 0.67 96 95 94 95 136 96 93 98 99 126 92 133 93 129 89 134 140 131 108 144 106 91 107 147 98 97 100 90 105 127 99 137 100 C C C C H C C C C H C H C H C H H H C H C C C H C C C C C H C H C -12.687 2.00 873 A 5.11 4.53 3.67 3.18 2.57 2.37 2.25 2.17 2.12 1.99 1.99 1.90 1.83 1.63 1.62 1.62 1.58 1.57 1.56 1.53 1.47 1.36 1.23 1.13 1.11 1.10 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:y P:z P:z S S S S S S P:z P:z S P:x P:x S P:y P:z P:y P:x S S P:z S S -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -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 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 109 110 111 112 112 96 182 179 175 184 178 181 111 100 174 99 98 177 95 97 94 93 125 132 93 135 128 C C C C C C H H H H H H C C H C C H C C C C H H C H H -12.684 2.00 874 A 4.25 3.58 3.34 2.98 2.79 2.59 2.33 2.27 2.23 2.05 2.04 2.00 1.89 1.61 1.37 1.37 1.30 1.28 1.26 1.26 1.25 1.23 1.23 1.19 1.17 1.16 1.13 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:y P:y P:y P:z P:x P:x S S S P:x S P:z S S P:z P:z S S S S S S S P:x S S -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 1.00 1.00 96 95 94 111 110 93 109 112 125 132 135 93 128 112 182 179 109 94 175 136 180 176 178 183 173 104 126 133 C C C C C C C C H H H C H C H H C C H H H H H H H C H H -12.683 2.00 875 A 2.95 2.48 2.45 2.31 2.02 1.95 1.92 1.83 1.80 1.77 1.73 1.70 1.68 1.66 1.51 1.36 1.34 1.32 1.30 1.25 1.25 1.24 1.19 1.17 1.17 1.15 1.14 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:y P:x P:z P:x P:z P:z P:y P:y S S S P:x P:y P:x P:x P:z P:x S P:z P:y S S P:z 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 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -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 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 103 102 110 101 100 112 109 97 104 89 153 157 150 92 90 98 99 101 91 183 104 111 176 160 111 173 180 148 C C C C C C C C C C H H H C C C C C C H C C H H C H H H -12.678 2.00 876 A 4.33 4.27 4.03 3.44 3.37 3.31 3.15 3.08 3.03 2.81 2.61 2.45 2.45 2.17 2.05 2.05 1.70 1.60 1.55 1.30 1.25 1.22 1.21 1.18 1.13 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 P:x P:z P:x P:z S S P:y S P:x S P:x S S S S P:y P:z P:y P:y P:y P:z P:y P:z P:x P:y P:y -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -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 -5.048 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 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 0.67 107 105 106 108 171 164 106 161 108 168 105 170 163 167 166 107 107 108 110 95 106 94 96 112 111 105 C C C C H H C H C H C H H H H C C C C C C C C C C C -12.665 2.00 877 A 4.21 4.07 4.05 4.02 2.89 2.85 2.85 2.80 2.78 2.59 2.06 2.06 2.00 1.92 1.84 1.81 1.72 1.46 1.35 1.17 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 P:y P:y P:y P:y P:x S S P:x S S P:x S S S P:x P:y S P:z P:y S P:z P:x -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 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 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 1.00 0.67 0.67 1.00 0.67 0.67 98 100 99 97 100 143 142 97 139 146 99 144 137 147 98 108 140 107 106 162 105 105 C C C C C H H C H H C H H H C C H C C H C C -12.655 2.00 878 A 2.52 2.46 2.43 2.15 1.58 1.21 1.16 1.13 1.11 1.03 1.02 1.02 1 1 1 1 1 1 1 1 3 1 1 1 P:y P:y P:z P:z P:z P:y P:z P:x D:x2-y2 P:y P:x P:y -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -4.382 -5.048 -5.048 -5.048 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.80 0.67 0.67 0.67 108 106 105 107 111 112 109 92 9 90 93 97 C C C C C C C C W C C C -12.613 2.00 879 A 2.10 1.84 1.81 1.63 1.62 1.43 1.27 1.20 1.16 1.15 1.14 1.09 1.08 1 1 1 1 3 1 1 3 3 1 1 3 1 P:x P:x P:y P:z D:x2-y2 P:z P:z D:x2-y2 D:x2-y2 P:x S D:z2 P:x -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -5.048 -4.382 -4.382 -5.048 -6.581 -4.382 -5.048 1.33 1.33 1.33 1.33 0.80 1.33 0.67 0.80 0.80 0.67 1.00 0.80 0.67 68 61 70 63 20 73 108 18 12 105 170 13 106 O O O O W O C W W C H W C -12.586 2.00 880 A 1.67 1.46 1.34 1.34 1.33 1.28 1.22 1.19 1.19 1.18 1.14 1.10 1.09 1.08 1 1 1 1 1 1 1 1 1 1 3 1 3 3 P:x P:x P:y P:z P:y P:y P:x P:y S P:x D:xy P:z D:xy D:xy -9.955 -9.955 -5.048 -5.048 -5.048 -9.955 -5.048 -9.955 -6.581 -9.955 -4.382 -5.048 -4.382 -4.382 1.33 1.33 0.67 0.67 0.67 1.33 0.67 1.33 1.00 1.33 0.80 0.67 0.80 0.80 27 61 90 89 108 70 91 29 114 74 15 92 6 4 O O C C C O C O H O W C W W -12.427 2.00 881 A 3.34 1.99 1.99 1.96 1.94 1.80 1.57 1.55 1.46 1.44 1.42 1.27 1.27 1.24 1.23 1.21 1.19 1.17 1.14 1.11 1.05 1.02 1 3 1 1 3 3 1 1 1 1 1 3 1 1 1 1 1 3 1 1 1 3 P:z D:yz P:y P:x D:xz D:x2-y2 P:z P:y P:y P:z P:z D:xy P:x P:x P:x P:y P:x D:z2 P:x P:z P:z D:z2 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 28 5 61 60 18 15 27 33 68 61 67 6 77 49 57 59 62 11 27 38 30 17 O W O O W W O O O O O W O O O O O W O O O W -12.421 2.00 882 A 2.28 2.21 2.19 2.17 2.03 1.91 1.73 1.65 1.59 1.56 1.45 1.44 1.41 1.35 1.30 1.25 1.20 1.11 1.09 1 1 3 1 1 1 1 1 1 1 1 3 3 1 3 1 1 1 3 P:z P:y D:xy P:y P:z P:y P:z P:x P:x P:y P:z D:yz D:z2 P:x D:x2-y2 P:x P:x P:z D:yz -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 63 62 9 29 35 73 30 64 65 66 26 10 3 26 13 31 28 27 20 O O W O O O O O O O O W W O W O O O W -12.415 2.00 883 A 2.04 1.87 1.60 1.58 1.56 1.48 1.47 1.35 1.28 1.26 1.25 1.22 1.16 1.11 1.10 1.07 1.07 1.06 1.05 1.02 1.00 1 1 3 1 1 1 1 1 1 3 1 1 3 1 1 3 3 1 1 1 3 P:z P:x D:xy P:z P:z P:z P:y P:x P:x D:x2-y2 P:y P:y D:yz P:y P:z 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1 1 1 1 1 1 1 1 3 P:z P:z P:z P:z P:y P:y P:y P:y P:y P:z P:z P:z P:y P:x P:x P:x D:z2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 60 25 65 30 38 31 59 64 26 62 33 45 67 48 33 28 10 O O O O O O O O O O O O O O O O W -12.298 2.00 886 A 4.63 4.12 2.81 2.68 1.92 1.91 1.70 1.66 1.59 1.58 1.51 1.49 1.46 1.43 1.39 1.38 1.23 1.18 1.18 1.12 1.10 1.09 1.07 1.07 1.04 1.03 1.02 1 1 1 1 1 1 3 1 1 1 1 3 1 1 1 1 1 1 1 3 1 1 1 1 1 3 1 P:x P:x P:y P:y P:x P:y D:x2-y2 P:z P:z P:y P:x D:xy P:y P:x P:z P:z P:x P:z P:x D:x2-y2 P:y P:z P:x P:x P:y D:z2 P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 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1.12 1.07 1.04 1 1 1 1 3 1 1 1 1 1 1 3 1 3 1 1 1 1 3 1 3 1 P:y P:x P:x P:y D:x2-y2 P:y P:y P:y P:x P:z P:z D:xz P:z D:xy P:z P:y P:x P:x D:z2 P:x D:xz P:y -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 34 36 34 35 20 45 44 68 42 54 82 11 78 6 49 36 66 73 11 32 20 50 O O O O W O O O O O O W O W O O O O W O W O -12.206 2.00 889 A 4.83 2.80 2.53 2.37 2.37 2.00 1.99 1.95 1.51 1.50 1.41 1.37 1.28 1.20 1.18 1.11 1.09 1 3 1 1 1 1 1 1 3 3 1 3 1 1 1 1 1 P:x D:z2 P:z P:y P:y P:x P:z P:z D:xy D:z2 P:x D:xz P:y P:z P:y P:x P:z -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 42 3 44 44 46 36 79 74 17 12 59 17 75 82 54 62 68 O W O O O O O O W W O W O O O O O -12.200 2.00 890 A 2.70 2.27 2.10 2.02 1.84 1.67 1.62 1.61 1.55 1.52 1.43 1.42 1.27 1.26 1.25 1.20 1.19 1.17 1.16 1.10 1.09 1.07 1.03 1.01 1 1 1 1 1 1 1 3 1 1 3 1 1 1 1 1 3 1 1 1 1 1 1 1 P:z P:z P:y P:z P:y P:x P:x D:z2 P:z P:z D:xz P:x P:x P:z P:y P:z D:xy P:z P:z P:x P:z P:z P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -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 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 73 38 51 72 44 37 77 15 34 35 13 75 42 36 64 66 8 74 41 69 42 70 40 40 O O O O O O O W O O W O O O O O W O O O O O O O -12.184 2.00 891 A 2.80 2.46 2.12 2.07 2.00 1.91 1.77 1.73 1.70 1.49 1.41 1.35 1.35 1.29 1.27 1.23 1.20 1.16 1.12 1.08 1.07 1.04 1.04 1 1 3 1 1 3 1 3 1 3 1 1 1 1 1 1 1 1 3 1 1 1 1 P:x P:y D:xy P:x P:y D:xz P:z D:xz P:y D:xy P:y P:x P:x P:x P:x P:x P:x P:y D:x2-y2 P:x P:z P:z P:y 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6 39 52 9 42 38 O O O O W O O O O O O O O O W O W W O O W O O -12.138 2.00 893 A 2.78 2.32 2.17 1.93 1.82 1.65 1.63 1.58 1.58 1.44 1.34 1.31 1.29 1.27 1.16 1.15 1.12 1.12 1.08 1.08 1.06 1.02 1.02 1 1 1 3 1 1 1 1 3 1 3 1 1 1 1 1 1 1 3 1 1 3 3 P:x P:x P:x D:xz P:y P:z P:y P:x D:x2-y2 P:z D:xy P:z P:x P:x P:x P:x P:x P:x D:xy P:x P:z D:xz D:xy -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 35 68 61 15 45 45 51 47 8 72 6 66 78 28 64 73 69 32 7 50 80 4 5 O O O W O O O O W O W O O O O O O O W O O W W -12.131 2.00 894 A 2.76 2.55 2.42 2.35 2.30 1.77 1.67 1.65 1.54 1.48 1.44 1.43 1.42 1.40 1.38 1.34 1.26 1.17 1.13 1.08 1.07 1.03 1.02 1.01 1 1 1 1 1 1 1 1 3 1 1 1 3 1 3 1 1 3 3 1 3 1 3 3 P:y P:y P:y P:y P:x P:x P:z P:x D:x2-y2 P:x P:z P:x D:x2-y2 P:z D:x2-y2 P:x P:z 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1 1 3 1 1 3 1 1 1 1 1 1 1 3 P:x P:y P:y P:x P:x P:z P:y P:x P:y P:x D:xz P:z P:x D:xz P:z P:x P:z P:z P:y P:x P:y D:x2-y2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 63 45 70 80 74 27 26 32 68 75 3 61 21 13 25 47 36 35 27 54 59 20 O O O O O O O O O O W O O W O O O O O O O W -12.000 2.00 898 A 3.30 2.28 2.08 2.01 1.95 1.78 1.68 1.60 1.52 1.38 1.31 1.17 1.15 1.11 1.10 1.09 1.06 1.06 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 P:x P:x P:x P:x P:x P:x P:x P:x P:y P:x P:z P:z P:z P:z P:x D:x2-y2 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 -4.382 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 45 48 38 70 29 76 64 68 66 73 39 42 44 32 65 18 77 62 63 30 O O O O O O O O O O O O O O O W O O O O -11.994 2.00 899 A 3.45 2.41 2.17 1.99 1.96 1.93 1.92 1.78 1.69 1.65 1.63 1.58 1.53 1.53 1.43 1.32 1.29 1.18 1.17 1.15 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 P:z P:x P:y P:z P:y P:y P:z P:x P:y P:x P:y P:x P:x P:x P:z P:y P:z P:y D:x2-y2 P:x D:yz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 75 77 22 80 74 47 77 49 56 51 52 82 55 79 46 82 56 80 19 52 12 O O O O O O O O O O O O O O O O O O W O W -11.978 2.00 900 A 3.19 2.83 2.74 2.34 2.28 2.11 2.04 2.04 1.89 1.78 1.78 1.66 1.52 1.45 1.34 1.32 1.27 1.27 1.26 1.22 1.20 1.18 1.15 1.13 1.11 1.05 1.03 1.01 1 1 1 3 3 1 1 1 1 1 3 3 1 1 1 1 1 3 3 1 1 3 1 1 3 1 1 1 P:y P:z P:z D:yz D:yz P:z P:z P:z P:z P:z D:yz D:yz P:z P:x P:z P:y P:x D:yz D:yz P:y P:x 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14 33 49 67 35 O O O O W O O O O O O O O O O O O O O W O O W O O O O -11.895 2.00 903 A 3.60 3.56 2.85 2.82 2.33 2.22 2.01 1.88 1.78 1.67 1.54 1.50 1.43 1.32 1.31 1.30 1.28 1.23 1.18 1.09 1.08 1.03 1.02 1.00 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 P:z P:x P:x P:z P:y P:z P:z P:y P:x P:z P:x P:x P:y P:x P:x P:y P:z P:y P:x P:x P:z P:x D:yz 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 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 46 49 54 51 52 30 22 47 21 75 82 52 31 51 77 22 25 74 55 32 36 79 3 80 33 O O O O O O O O O O O O O O O O O O O O O O W O O -11.836 2.00 904 A 5.51 4.38 3.21 2.31 2.13 1.99 1.97 1.95 1.93 1.76 1.73 1.64 1.54 1.53 1.46 1.42 1.34 1.28 1.28 1.27 1.13 1.04 1.04 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:x P:y P:z P:x P:z P:x P:x P:y P:x P:x P:y P:z P:x P:y P:y P:x P:z 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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 73 45 73 66 45 78 68 70 70 63 66 35 32 32 76 61 70 38 38 29 63 50 74 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 -11.833 2.00 905 A 9.02 4.76 4.57 4.31 3.79 3.63 3.01 2.99 2.98 2.13 1.76 1.74 1.41 1.34 1.14 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:x P:x P:z P:z P:y P:y P:y P:z P:x P:z P:x P:x P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 70 68 63 38 68 35 27 35 61 53 29 61 45 32 81 27 O O O O O O O O O O O O O O O O -11.786 2.00 906 A 3.38 2.79 2.44 1.96 1.89 1.86 1.64 1.61 1.53 1.52 1.35 1.31 1.11 1.08 1.04 1.04 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:y P:x P:z P:x P:x P:y P:y P:y S 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 -6.581 -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 1.00 1.33 1.33 1.33 1.33 1.33 29 38 73 68 76 38 48 66 35 44 45 122 42 66 30 41 45 O O O O O O O O O O O H O O O O O -11.769 2.00 907 A 2.09 2.07 1.67 1.56 1.41 1.40 1.21 1.21 1.20 1.17 1.16 1.11 1.09 1.09 1.09 1.06 1.05 1.04 1.04 1 1 1 1 1 1 3 1 1 3 1 1 1 1 1 1 1 1 3 P:y P:x P:x P:y P:x P:x D:xz P:y P:y D:yz P:x P:x P:y P:x P:z P:y P:y P:y D:z2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 50 41 81 73 53 38 17 35 71 7 42 36 38 29 40 77 36 48 15 O O O O O O W O O W O O O O O O O O W -11.734 2.00 908 A 2.23 1.84 1.70 1.44 1.43 1.38 1.36 1.35 1.24 1.23 1.12 1.02 1.00 1.00 1 1 1 1 1 3 1 1 1 1 1 3 1 1 P:x P:y P:y P:z P:y D:z2 P:z P:z P:y P:y P:x D:z2 P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 49 75 34 70 39 13 38 45 74 68 44 11 34 50 O O O O O W O O O O O W O O -11.690 2.00 909 A 2.76 2.32 1.93 1.85 1.77 1.73 1.44 1.40 1.34 1.20 1.16 1.12 1.07 1.05 1.03 1.02 1.01 1.01 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 3 1 P:z P:x P:x P:z P:x D:xz P:z P:z P:y P:x S P:y P:z P:x P:x P:x D:yz P:x -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -6.581 -5.048 -9.955 -9.955 -5.048 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.00 0.67 1.33 1.33 0.67 1.33 0.80 1.33 82 78 34 49 48 20 48 51 47 76 183 89 74 42 112 49 5 81 O O O O O W O O O O H C O O C O W O -11.666 2.00 910 A 2.42 2.37 2.27 2.23 2.13 1.97 1.79 1.76 1.51 1.42 1.26 1.23 1.21 1.19 1.07 1.05 1.03 1 1 1 1 1 1 1 3 1 1 3 1 1 3 1 1 1 P:y P:x P:x P:y P:y P:x P:x D:z2 P:z P:x D:xy P:y P:x D:z2 P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 81 50 53 46 76 82 77 3 79 28 7 31 25 10 62 49 47 O O O O O O O W O O W O O W O O O -11.652 2.00 911 A 2.98 2.58 2.10 2.06 1.76 1.74 1.62 1.50 1.44 1.42 1.25 1.25 1.23 1.19 1.18 1.15 1.11 1.06 1.03 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:y P:y P:y P:z P:z D:yz S P:z P:z S P:z P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -6.581 -9.955 -9.955 -6.581 -9.955 -9.955 -7.353 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.00 1.33 1.33 1.00 1.33 1.33 1.00 40 75 69 37 71 43 78 40 72 77 73 16 128 72 50 168 49 22 84 O O O O O O O O O O O W H O O H O O N -11.614 2.00 912 A 2.58 2.18 1.89 1.86 1.86 1.81 1.78 1.71 1.61 1.37 1.31 1.19 1.13 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:x P:x P:z S P:z P:x P:z S P:x P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -6.581 -9.955 -9.955 -9.955 -6.581 -5.048 -5.048 -7.353 -5.048 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.00 0.67 0.67 1.00 0.67 77 47 54 81 47 134 53 51 74 183 112 93 88 111 O O O O O H O O O H C C N C -11.582 2.00 913 A 3.33 3.18 2.61 2.57 2.06 2.02 1.79 1.50 1.46 1.27 1.20 1.19 1.07 1.04 1.04 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y S P:z P:x P:y P:x S S S P:x P:y S P:y P:z -9.955 -9.955 -5.048 -6.581 -9.955 -5.048 -9.955 -9.955 -6.581 -6.581 -6.581 -5.048 -9.955 -6.581 -9.955 -9.955 1.33 1.33 0.67 1.00 1.33 0.67 1.33 1.33 1.00 1.00 1.00 0.67 1.33 1.00 1.33 1.33 76 78 94 129 53 96 76 77 136 116 128 90 50 167 44 72 O O C H O C O O H H H C O H O O -11.565 2.00 914 A 2.91 2.52 1.85 1.72 1.64 1.55 1.31 1.25 1.22 1.22 1.19 1.17 1.14 1.10 1.06 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y S P:z P:z P:y S P:z S P:y S P:y S P:y S P:x P:z -9.955 -6.581 -9.955 -9.955 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -7.353 -6.581 -9.955 -6.581 -5.048 -9.955 1.33 1.00 1.33 1.33 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.33 1.00 0.67 1.33 75 134 81 47 93 127 96 172 96 146 84 162 53 183 112 74 O H O O C H C H C H N H O H C O -11.551 2.00 915 A 3.05 2.85 2.60 1.74 1.56 1.53 1.48 1.45 1.27 1.20 1.20 1.20 1.19 1.18 1.16 1.12 1.10 1.03 1.02 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y S S P:z P:y P:z P:z P:x P:x P:y P:y P:x S P:z S P:x P:z P:x P:z -9.955 -5.048 -6.581 -6.581 -9.955 -9.955 -5.048 -5.048 -5.048 -9.955 -9.955 -9.955 -9.955 -6.581 -9.955 -6.581 -9.955 -9.955 -9.955 -9.955 1.33 0.67 1.00 1.00 1.33 1.33 0.67 0.67 0.67 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.33 78 101 149 152 36 80 105 102 98 48 67 81 58 161 64 140 24 31 79 33 O C H H O O C C C O O O O H O H O O O O -11.545 2.00 916 A 2.43 2.37 2.11 2.05 1.93 1.68 1.56 1.40 1.39 1.37 1.35 1.29 1.19 1.07 1.06 1.04 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y S P:x S P:z P:x S P:x S P:y P:x S P:z P:x P:y P:y P:x P:x -9.955 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -9.955 -5.048 -6.581 -9.955 -7.353 -5.048 -9.955 -9.955 -5.048 1.33 1.00 0.67 1.00 0.67 0.67 1.00 0.67 1.00 1.33 0.67 1.00 1.33 1.00 0.67 1.33 1.33 0.67 50 129 96 136 107 94 171 106 168 81 108 169 75 84 103 54 80 102 O H C H C C H C H O C H O N C O O C -11.536 2.00 917 A 3.31 2.54 2.50 2.31 2.17 1.99 1.98 1.66 1.66 1.64 1.60 1.57 1.53 1.43 1.39 1.37 1.32 1.25 1.16 1.13 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 P:y P:x S S S P:z P:z P:y S S S S S P:y P:y P:z P:z P:z S P:y S S -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -9.955 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.33 0.67 0.67 0.67 0.67 1.00 0.67 1.00 1.00 95 106 126 133 166 93 96 93 164 134 170 132 135 47 103 104 105 108 156 101 151 161 C C H H H C C C H H H H H O C C C C H C H H -11.517 2.00 918 A 4.30 4.14 3.33 2.95 2.94 2.73 2.70 2.65 2.57 2.51 2.43 2.30 2.24 1.88 1.87 1.63 1.49 1.38 1.18 1.11 1.09 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x S S P:y P:z S S S P:z S P:y S S P:z S S P:y P:x S P:z P:y P:z -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 0.67 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 0.67 0.67 110 160 177 104 96 134 158 178 104 132 95 135 182 112 153 127 102 96 181 111 93 101 C H H C C H H H C H C H H C H H C C H C C C -11.507 2.00 919 A 2.99 2.39 2.39 2.18 2.18 2.12 2.10 1.88 1.84 1.73 1.62 1.59 1.57 1.52 1.51 1.50 1.37 1.31 1.29 1.28 1.28 1.25 1.22 1.18 1.13 1.06 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x S P:x S S S P:x S P:z P:x S P:z P:y S S S S S P:y P:x P:z P:y S S S P:x S -5.048 -5.048 -6.581 -5.048 -6.581 -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 -6.581 -5.048 -7.353 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 0.67 0.67 1.00 0.67 1.00 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 1.00 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 1.00 102 95 153 99 166 144 113 106 152 89 90 134 96 104 160 116 118 135 131 101 85 108 90 141 170 145 96 132 C C H C H H H C H C C H C C H H H H H C N C C H H H C H -11.502 2.00 920 A 3.99 3.60 3.58 3.20 2.80 2.64 2.63 2.49 2.34 2.28 2.17 2.16 2.00 1.96 1.95 1.77 1.42 1.38 1.27 1.18 1.14 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y S S S S S S S S P:z S P:z P:y P:x P:x P:z P:x P:z P:z S P:y P:y -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 0.67 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 109 112 184 174 180 183 132 135 151 175 96 158 111 111 95 112 101 104 97 104 179 95 101 C C H H H H H H H H C H C C C C C C C C H C C -11.499 2.00 921 A 9.97 8.81 8.23 6.86 5.46 4.26 3.63 3.58 3.34 2.73 2.17 1.95 1.92 1.78 1.61 1.55 1.41 1.15 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:y P:z S P:z S S S P:z P:y P:y P:x P:x P:y P:z P:x S P:y -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -7.353 -7.353 -5.048 -6.581 -5.048 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 0.67 182 184 112 112 178 110 132 174 135 96 109 95 110 95 88 88 109 158 96 H H C C H C H H H C C C C C N N C H C -11.496 2.00 922 A 4.99 4.72 4.15 3.35 3.31 2.93 2.63 2.21 2.10 2.03 2.02 1.89 1.61 1.40 1.24 1.18 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 S P:y S P:x S S P:z P:z P:y S S P:y P:y P:z S S S P:x P:x P:y -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -7.353 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 1.00 0.67 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 1.00 1.00 0.67 0.67 0.67 132 96 135 95 136 127 96 92 95 182 124 93 84 112 134 178 117 99 93 90 H C H C H H C C C H H C N C H H H C C C -11.494 2.00 923 A 3.40 2.94 2.90 2.90 2.83 2.68 2.51 2.44 2.35 1.87 1.81 1.80 1.70 1.62 1.58 1.45 1.42 1.29 1.19 1.17 1.07 1.06 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x S S S S P:y P:y P:y P:y P:x S S P:y S S S S P:x P:z S P:x S S -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 102 167 154 163 146 100 101 107 89 90 116 139 105 151 115 149 152 105 97 124 92 138 148 C H H H H C C C C C H H C H H H H C C H C H H -11.493 2.00 924 A 9.38 8.23 7.62 7.46 2.36 2.02 1.85 1.74 1.71 1.66 1.55 1.44 1.40 1.37 1.34 1.15 1.12 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y S S P:z S P:y S S P:y S P:x P:x S P:x P:x S S P:y -5.048 -6.581 -6.581 -5.048 -6.581 -7.353 -6.581 -6.581 -5.048 -6.581 -5.048 -7.353 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 1.00 1.00 0.67 90 117 124 92 118 83 162 152 89 123 105 86 115 104 102 158 159 92 C H H C H N H H C H C N H C C H H C -11.488 2.00 925 A 6.95 5.67 4.15 3.46 3.08 3.03 2.85 2.60 2.30 2.23 2.13 1.99 1.98 1.88 1.82 1.69 1.38 1.31 1.24 1.17 1.13 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 P:z S S P:z S P:x P:z S P:x S S P:x S P:x S P:y P:z -6.581 -5.048 -6.581 -5.048 -7.353 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 1.00 0.67 1.00 0.67 1.00 1.00 1.00 0.67 1.00 0.67 0.67 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 151 101 158 104 86 153 139 102 146 110 111 177 97 150 181 104 126 100 152 101 93 H C H C N H H C H C C H C H H C H C H C C -11.487 2.00 926 A 9.75 9.09 6.76 5.95 3.47 3.26 3.25 3.18 2.31 2.02 1.41 1.20 1.16 1.15 1.14 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x S S P:z S P:x S P:x P:z S S S P:x P:y S P:z P:y -5.048 -6.581 -6.581 -5.048 -6.581 -7.353 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 0.67 1.00 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 104 159 156 103 154 86 158 102 92 124 153 117 103 104 181 111 90 C H H C H N H C C H H H C C H C C -11.486 2.00 927 A 5.74 4.90 4.43 3.76 3.35 3.10 2.78 2.30 2.19 2.07 2.04 1.93 1.79 1.63 1.62 1.51 1.48 1.39 1.32 1.28 1.27 1.19 1.18 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 S P:z P:z S P:x S P:y S S S S P:x P:z S P:z P:z S S S S P:y P:z P:y S P:x -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 1.00 0.67 0.67 0.67 1.00 0.67 157 92 103 124 101 150 90 117 123 139 146 95 102 138 105 97 126 162 155 153 100 93 97 131 103 H C C H C H C H H H H C C H C C H H H H C C C H C -11.484 2.00 928 A 3.95 3.37 3.33 3.25 2.99 2.72 2.66 2.47 2.00 1.95 1.91 1.76 1.64 1.62 1.56 1.50 1.41 1.41 1.39 1.35 1.33 1.32 1.26 1.24 1.15 1.08 1.06 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z S P:z S S S S S S P:z S S P:x P:z P:x P:z P:z P:y P:z P:z S P:x P:z S P:z S S -5.048 -5.048 -6.581 -7.353 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -7.353 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 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 0.67 1.00 0.67 0.67 0.67 1.00 0.67 0.67 1.00 0.67 1.00 1.00 103 102 156 86 170 152 126 127 157 166 108 153 133 108 93 106 89 83 93 104 101 159 93 91 118 90 114 172 C C H N H H H H H H C H H C C C C N C C C H C C H C H H -11.480 2.00 929 A 3.03 2.95 2.89 2.89 2.85 2.70 2.57 2.57 2.41 2.39 2.18 2.17 2.15 1.90 1.77 1.76 1.72 1.71 1.67 1.53 1.51 1.32 1.24 1.17 1.11 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:z S P:y P:z S P:z S S P:y P:x P:z S P:z S S S P:z S S P:z P:z S P:y P:z P:x -6.581 -5.048 -6.581 -5.048 -7.353 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -7.353 -5.048 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 0.67 1.00 1.00 1.00 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 118 89 113 106 83 123 91 161 164 90 105 90 117 102 139 119 153 101 163 151 105 100 114 92 86 97 H C H C N H C H H C C C H C H H H C H H C C H C N C -11.477 2.00 930 A 3.91 3.62 3.58 3.39 3.12 2.87 2.78 2.30 2.22 2.08 2.02 1.67 1.63 1.61 1.60 1.46 1.39 1.35 1.26 1.25 1.23 1.14 1.11 1.09 1.08 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y S P:x S P:z P:z P:z S S P:x S P:y S S P:x S S S P:z P:y S S P:x S P:x -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -7.353 -6.581 -6.581 -5.048 -6.581 -7.353 -6.581 -6.581 -7.353 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 1.00 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 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 150 89 142 101 115 98 99 85 157 147 103 181 83 118 143 86 151 177 138 111 100 154 123 90 161 110 H C H C H C C N H H C H N H H N H H H C C H H C H C -11.475 2.00 931 A 5.85 4.16 4.03 3.80 3.57 3.40 2.43 2.39 2.36 2.09 2.08 2.06 2.01 1.89 1.74 1.69 1.67 1.66 1.55 1.30 1.26 1.18 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 S P:z S P:z S P:z P:x S S P:z P:x P:z S P:y S P:y S P:z S S P:z S S -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -7.353 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -7.353 -6.581 -6.581 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.00 1.00 1.00 1.00 119 91 138 90 118 97 101 157 150 83 99 98 142 106 141 91 164 103 120 145 85 149 161 H C H C H C C H H N C C H C H C H C H H N H H -11.472 2.00 932 A 6.67 6.27 3.36 3.27 3.01 2.40 2.25 2.22 2.16 2.10 1.86 1.84 1.78 1.69 1.54 1.41 1.32 1.17 1.08 1.07 1.05 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y S S P:y P:y S P:z S S P:y S S P:z S P:z P:y P:z P:z S S P:y P:z P:x -5.048 -6.581 -6.581 -5.048 -7.353 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -7.353 -6.581 -6.581 -5.048 -5.048 -5.048 0.67 1.00 1.00 0.67 1.00 1.00 0.67 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 0.67 91 120 123 92 83 119 107 147 142 100 169 181 99 165 98 106 111 85 177 179 111 94 109 C H H C N H C H H C H H C H C C C N H H C C C -11.471 2.00 933 A 5.91 5.10 3.52 3.51 3.31 3.19 2.94 2.85 2.70 2.52 2.41 2.33 2.14 2.11 2.05 1.92 1.89 1.72 1.65 1.57 1.48 1.23 1.18 1.16 1.11 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 S S P:z P:y P:y P:z P:z P:y P:y S S S P:z S P:z S S S P:z P:z S P:z P:z S P:z P:x -6.581 -6.581 -5.048 -5.048 -7.353 -7.353 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -7.353 -5.048 -6.581 -7.353 -5.048 1.00 1.00 0.67 0.67 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 0.67 178 174 112 110 88 88 110 112 109 180 184 176 97 131 94 130 137 182 111 109 138 84 95 136 85 95 H H C C N N C C C H H H C H C H H H C C H N C H N C -11.470 2.00 934 A 16.33 11.45 10.01 6.53 3.80 3.34 2.85 2.82 2.67 1.56 1.33 1.28 1.24 1.19 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 P:z S S S S P:y P:z P:x P:x P:y P:x P:x S P:z P:z -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -7.353 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 5.519 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.00 100 147 148 144 141 99 85 98 99 98 100 105 164 99 100 C H H H H C N C C C C C H C C -11.468 2.00 935 A 3.80 3.40 3.15 3.02 2.98 2.40 2.36 2.34 2.20 2.02 1.99 1.95 1.81 1.78 1.69 1.55 1.40 1.38 1.27 1.20 1.18 1.17 1.09 1.09 1.08 1.02 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S P:x P:y S P:y S P:y S S P:z P:y S S P:x P:y P:x P:x P:x P:x S P:y S S P:y S P:x -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 -7.353 -5.048 -6.581 -7.353 -6.581 -6.581 -5.048 -6.581 -5.048 1.00 1.00 0.67 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 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.67 141 139 100 108 172 91 119 98 148 120 107 97 162 169 105 103 97 98 85 110 156 85 159 150 92 177 92 H H C C H C H C H H C C H H C C C C N C H N H H C H C -11.466 2.00 936 A 6.55 5.24 4.72 2.98 2.24 2.01 1.95 1.82 1.72 1.59 1.57 1.48 1.47 1.47 1.38 1.33 1.28 1.08 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y S S S P:y S P:y S P:x S P:y P:z P:x P:z S S S P:x S -5.048 -6.581 -6.581 -6.581 -7.353 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 0.67 1.00 1.00 1.00 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 1.00 1.00 1.00 0.67 1.00 111 179 180 137 88 143 89 115 112 175 109 98 99 97 159 144 178 104 183 C H H H N H C H C H C C C C H H H C H -11.465 2.00 937 A 3.48 3.42 3.00 2.79 2.59 2.34 2.25 2.14 2.02 1.92 1.91 1.90 1.88 1.77 1.77 1.65 1.56 1.53 1.52 1.47 1.46 1.46 1.37 1.20 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:z P:z S S P:x P:x S P:z S S P:y P:z P:x S P:z P:x S S S P:z S S S S -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -6.581 -7.353 -6.581 -6.581 -6.581 -6.581 1.00 0.67 0.67 1.00 1.00 0.67 0.67 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 0.67 0.67 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 181 94 111 131 130 109 102 179 107 175 177 111 91 95 154 90 110 165 169 118 83 119 114 152 136 H C C H H C C H C H H C C C H C C H H H N H H H H -11.461 2.00 938 A 5.72 4.70 3.99 3.51 3.47 3.46 3.11 2.86 2.75 2.62 2.59 2.45 2.43 2.16 1.81 1.67 1.63 1.61 1.18 1.11 1.04 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y S S P:y S S S P:y P:y S P:z P:y S P:x P:x S P:z S S S S P:x -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -7.353 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 0.67 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 106 143 165 108 164 172 123 87 99 142 98 91 120 92 105 122 99 144 171 169 130 99 C H H C H H H N C H C C H C C H C H H H H C -11.459 2.00 939 A 6.35 5.32 4.95 4.84 4.81 4.50 3.87 3.42 3.18 2.35 2.29 2.14 2.03 1.83 1.78 1.73 1.68 1.62 1.39 1.38 1.37 1.26 1.26 1.24 1.22 1.16 1.16 1.08 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:z P:z S P:z S S P:z P:x P:z S P:y P:x S P:x S P:y P:y S P:y P:y P:y S S P:y P:z P:y S P:x -6.581 -7.353 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -5.048 -7.353 -6.581 -5.048 -6.581 -7.353 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -7.353 -5.048 -5.048 -6.581 -5.048 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 0.67 0.67 1.00 0.67 1.00 1.00 0.67 1.00 1.00 0.67 1.00 0.67 0.67 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 125 84 93 131 95 130 126 94 93 96 165 94 84 135 95 178 88 106 169 111 110 109 136 179 87 107 108 176 94 H N C H C H H C C C H C N H C H N C H C C C H H N C C H C -11.458 2.00 940 A 5.30 4.17 3.87 3.76 3.47 3.18 2.68 2.60 2.47 2.33 2.29 2.21 2.02 1.98 1.95 1.88 1.83 1.72 1.68 1.52 1.50 1.41 1.37 1.28 1.27 1.24 1.09 1.07 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S S S P:z S P:z P:y S P:x S P:x P:z P:y P:z P:x S P:x S P:y P:x P:x P:y P:z P:y S P:x P:z P:y S -6.581 -6.581 -6.581 -5.048 -6.581 -7.353 -5.048 -6.581 -7.353 -6.581 -5.048 -5.048 -7.353 -5.048 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 1.00 1.00 1.00 0.67 1.00 1.00 0.67 1.00 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 0.67 1.00 0.67 0.67 0.67 0.67 0.67 0.67 1.00 0.67 0.67 0.67 1.00 171 161 163 105 165 87 108 169 87 170 107 106 87 108 106 125 93 142 107 92 108 98 107 105 122 105 99 89 123 H H H C H N C H N H C C N C C H C H C C C C C C H C C C H -11.454 2.00 941 A 19.06 18.60 13.43 12.78 5.44 4.56 3.17 2.66 2.39 1.82 1.30 1.24 1.17 1 1 1 1 1 1 1 1 1 1 2 1 1 P:z S S P:y P:z S S P:z P:y P:z P:y P:y S -5.048 -6.581 -6.581 -5.048 -7.353 -6.581 -6.581 -5.048 -7.353 -5.048 5.519 -5.048 -6.581 0.67 1.00 1.00 0.67 1.00 1.00 1.00 0.67 1.00 0.67 0.00 0.67 1.00 109 173 176 110 88 174 181 111 88 110 110 109 179 C H H C N H H C N C C C H -11.453 2.00 942 A 4.16 4.07 2.81 2.78 2.23 2.20 2.10 2.03 1.82 1.79 1.78 1.78 1.61 1.58 1.52 1.49 1.44 1.20 1.20 1.12 1.07 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y P:x S S P:z S P:x S S P:z S P:z S P:y P:z S S P:x S P:z P:x -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -5.048 -5.048 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 0.67 143 99 98 180 170 111 145 112 142 183 97 138 99 140 100 108 161 171 108 137 106 107 H C C H H C H C H H C H C H C C H H C H C C -11.447 2.00 943 A 3.02 2.90 2.86 2.81 2.80 2.01 1.96 1.84 1.82 1.77 1.76 1.72 1.63 1.62 1.41 1.39 1.32 1.31 1.31 1.28 1.27 1.15 1.09 1.05 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x S P:z S P:y P:y S P:y P:x P:z S S S S P:y P:x P:x S S S S P:y P:z P:x -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -7.353 -7.353 1.00 0.67 1.00 0.67 1.00 0.67 0.67 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 1.00 0.67 1.00 1.00 150 101 149 105 162 101 89 115 108 92 108 171 157 122 161 99 103 98 143 114 170 166 102 87 86 H C H C H C C H C C C H H H H C C C H H H H C N N -11.440 2.00 944 A 5.97 5.12 3.46 2.97 1.98 1.95 1.84 1.49 1.38 1.34 1.29 1.27 1.17 1.10 1.07 1.06 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y S P:x S S S S P:y P:y S P:z P:z S P:z P:z P:z P:x -5.048 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -6.581 -9.955 -5.048 -6.581 -5.048 -9.955 -5.048 -9.955 0.67 1.00 0.67 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.33 0.67 1.00 0.67 1.33 0.67 1.33 103 155 102 154 167 169 172 108 107 156 47 107 114 98 41 89 26 C H C H H H H C C H O C H C O C O -11.437 2.00 945 A 6.93 5.90 4.85 4.59 3.65 2.26 1.84 1.62 1.35 1.30 1.27 1.05 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x S S S P:x S S S P:y P:y P:y P:z -5.048 -5.048 -6.581 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -5.048 -5.048 -5.048 -5.048 0.67 0.67 1.00 1.00 1.00 0.67 1.00 1.00 1.00 0.67 0.67 0.67 0.67 89 91 121 114 113 90 116 139 119 97 103 101 102 C C H H H C H H H C C C C -11.423 2.00 946 A 3.53 3.36 3.23 3.06 3.03 3.02 2.91 2.25 2.23 2.00 1.90 1.88 1.82 1.68 1.62 1.57 1.52 1.43 1.24 1.23 1.18 1.16 1.09 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 S P:y P:z S P:x P:x S S P:y S S S S S P:z P:z P:x S P:x P:y P:z S P:x P:x -6.581 -6.581 -5.048 -5.048 -6.581 -5.048 -5.048 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 -6.581 -6.581 -5.048 -5.048 -7.353 -6.581 -5.048 -7.353 -5.048 -6.581 -5.048 -5.048 1.00 1.00 0.67 0.67 1.00 0.67 0.67 1.00 1.00 0.67 1.00 1.00 1.00 1.00 1.00 0.67 0.67 1.00 1.00 0.67 1.00 0.67 1.00 0.67 0.67 130 167 107 94 163 93 94 129 125 105 127 169 170 166 141 108 106 84 128 98 87 107 136 96 105 H H C C H C C H H C H H H H H C C N H C N C H C C -11.408 2.00 947 A 2.59 2.22 1.94 1.74 1.73 1.49 1.48 1.42 1.40 1.39 1.39 1.38 1.37 1.36 1.27 1.27 1.26 1.26 1.23 1.21 1.18 1.15 1.10 1.09 1.06 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x S P:z P:y P:x P:y S P:x P:x P:x S S S S P:y P:x P:x P:z P:z P:y P:y P:y P:x S S P:x -9.955 -6.581 -9.955 -9.955 -7.353 -7.353 -6.581 -5.048 -5.048 -5.048 -6.581 -6.581 -6.581 -6.581 -5.048 -9.955 -9.955 -9.955 -5.048 -5.048 -5.048 -5.048 -5.048 -6.581 -6.581 -5.048 1.33 1.00 1.33 1.33 1.00 1.00 1.00 0.67 0.67 0.67 1.00 1.00 1.00 1.00 0.67 1.33 1.33 1.33 0.67 0.67 0.67 0.67 0.67 1.00 1.00 0.67 51 145 46 54 83 86 155 89 92 91 149 121 143 122 103 40 71 33 99 101 99 102 97 160 116 90 O H O O N N H C C C H H H H C O O O C C C C C H H C -11.406 2.00 948 A 3.12 2.39 2.21 2.20 2.09 2.03 2.01 1.79 1.69 1.46 1.28 1.26 1.20 1.17 1.15 1.14 1.12 1.10 1.02 1.02 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x S S P:x S P:y S P:y P:z P:z P:y S P:z P:y P:x P:y P:x P:x P:y P:z S -5.048 -6.581 -6.581 -5.048 -6.581 -9.955 -6.581 -5.048 -9.955 -9.955 -9.955 -6.581 -9.955 -9.955 -5.048 -9.955 -5.048 -5.048 -9.955 -9.955 -6.581 0.67 1.00 1.00 0.67 1.00 1.33 1.00 0.67 1.33 1.33 1.33 1.00 1.33 1.33 0.67 1.33 0.67 0.67 1.33 1.33 1.00 107 146 167 106 168 46 166 100 47 78 50 139 53 64 97 72 100 90 39 62 116 C H H C H O H C O O O H O O C O C C O O H -11.395 2.00 949 A 3.21 2.73 2.61 2.47 2.07 2.00 1.66 1.59 1.56 1.50 1.47 1.43 1.17 1.16 1.08 1.04 1.04 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:x S P:y S P:z S P:x P:x P:y P:y P:y P:x P:z S S P:y P:y P:z -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -6.581 -5.048 -7.353 -9.955 -7.353 -5.048 -5.048 -7.353 -6.581 -6.581 -9.955 -5.048 -9.955 1.00 0.67 1.00 0.67 1.00 0.67 1.00 0.67 1.00 1.33 1.00 0.67 0.67 1.00 1.00 1.00 1.33 0.67 1.33 145 99 140 97 168 107 138 98 85 81 85 98 93 87 127 169 50 99 48 H C H C H C H C N O N C C N H H O C O -11.377 2.00 950 A 3.77 3.40 3.00 2.80 2.67 2.22 2.02 1.99 1.75 1.71 1.69 1.35 1.34 1.33 1.30 1.25 1.21 1.19 1.19 1.13 1.08 1.08 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:y P:y P:z P:y P:z P:z P:y P:z P:z P:z P:x P:z P:x P:x P:x P:y S P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -6.581 -9.955 -5.048 -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 1.00 1.33 0.67 1.33 71 40 30 69 37 37 65 69 59 67 64 31 33 51 40 72 43 25 59 140 25 94 60 O O O O O O O O O O O O O O O O O O O H O C O -11.371 2.00 951 A 4.21 3.13 3.09 2.46 2.21 2.10 1.96 1.84 1.65 1.47 1.32 1.29 1.24 1.14 1.08 1.04 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 S P:y P:x S P:y P:z P:z S P:y P:y P:x P:z S P:x P:x P:x P:x -6.581 -5.048 -5.048 -6.581 -9.955 -9.955 -9.955 -6.581 -5.048 -5.048 -9.955 -9.955 -6.581 -5.048 -7.353 -9.955 -9.955 1.00 0.67 0.67 1.00 1.33 1.33 1.33 1.00 0.67 0.67 1.33 1.33 1.00 0.67 1.00 1.33 1.33 140 94 98 129 50 53 31 137 98 97 40 64 128 96 85 43 71 H C C H O O O H C C O O H C N O O -11.349 2.00 952 A 3.75 3.10 3.07 2.48 2.15 2.01 1.90 1.79 1.56 1.44 1.43 1.39 1.23 1.18 1.13 1.08 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:x P:z P:y P:z P:z P:y P:y P:x S P:x P:y 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 -6.581 -9.955 -9.955 -5.048 -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 1.00 1.33 1.33 0.67 1.33 1.33 1.33 72 37 43 64 47 31 69 69 29 80 160 79 74 104 40 63 28 O O O O O O O O O O H O O C O O O -11.325 2.00 953 A 5.74 3.52 2.68 2.44 2.23 2.00 1.89 1.86 1.86 1.85 1.81 1.68 1.62 1.60 1.56 1.47 1.43 1.39 1.30 1.26 1.08 1.06 1.04 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:z P:x P:x P:x P:x P:x P:z P:y S P:z P:y P:x P:x S S P:y P:z P:y P:z P:z P:x P:x -9.955 -9.955 -9.955 -9.955 -7.353 -5.048 -9.955 -5.048 -9.955 -9.955 -9.955 -6.581 -9.955 -9.955 -5.048 -5.048 -6.581 -6.581 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.00 0.67 1.33 0.67 1.33 1.33 1.33 1.00 1.33 1.33 0.67 0.67 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 40 71 72 33 83 91 43 89 37 78 60 121 59 28 90 92 122 116 81 72 69 31 71 59 78 O O O O N C O C O O O H O O C C H H O O O O O O O -11.291 2.00 954 A 3.78 2.73 2.30 2.29 2.03 1.96 1.83 1.82 1.80 1.67 1.45 1.31 1.22 1.21 1.16 1.10 1.09 1.08 1.04 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:y P:y P:y P:y P:x P:x P:x P:y P:z P:z P:x P:y P:z P:x 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 50 67 65 75 46 30 25 77 69 43 74 53 71 54 40 26 47 26 62 79 O O O O O O O O O O O O O O O O O O O O -11.246 2.00 955 A 8.36 6.27 2.77 2.64 2.28 2.20 1.61 1.51 1.49 1.45 1.25 1.15 1.13 1.10 1.09 1.07 1.07 1.02 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 P:y P:x P:y P:y P:x P:z P:x D:xy P:z P:z P:y P:x P:y P:z P:z P:y P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 74 79 52 46 51 74 75 12 46 66 80 82 69 51 80 50 61 71 O O O O O O O W O O O O O O O O O O -11.227 2.00 956 A 3.46 3.20 3.15 2.73 2.13 2.11 2.06 2.00 1.88 1.72 1.65 1.64 1.61 1.55 1.38 1.23 1.22 1.18 1.16 1.15 1.14 1.06 1.04 1.03 1.03 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 3 1 1 1 1 1 1 1 1 P:x P:x P:z P:z P:y P:x P:x P:x P:y P:y P:x P:x D:xy P:x P:z P:x D:xy P:y P:z P:x P:z P:y P:y P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 79 54 75 77 77 74 75 82 75 79 47 52 15 80 51 46 17 63 46 61 63 73 29 49 52 O O O O O O O O O O O O W O O O W O O O O O O O O -11.223 2.00 957 A 7.49 5.41 2.65 2.36 2.34 2.29 2.17 2.05 1.99 1.92 1.75 1.70 1.48 1.43 1.27 1.20 1.14 1.11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 P:x P:y P:x P:y P:y P:y P:x P:y P:z P:x P:y P:z P:z P:z P:y D:xy 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 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 51 47 52 37 49 29 72 50 78 43 69 69 37 31 35 6 45 51 O O O O O O O O O O O O O O O W O O -11.217 2.00 958 A 8.21 6.44 2.43 2.06 1.99 1.84 1.43 1.38 1.37 1.34 1.33 1.32 1.23 1.16 1.15 1.11 1.09 1.08 1.06 1.00 1 1 1 1 1 1 1 1 3 1 1 3 1 1 1 1 1 1 1 1 P:x P:y P:x P:z P:x P:y P:z P:x D:x2-y2 P:y P:x D:yz P:z P:z P:y 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 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 80 82 40 53 71 47 46 76 20 46 82 18 78 59 74 68 76 82 66 77 O O O O O O O O W O O W O O O O O O O O -11.207 2.00 959 A 4.89 3.80 2.90 2.26 2.21 2.19 1.97 1.81 1.75 1.56 1.53 1.41 1.39 1.35 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:y P:x P:z P:z P:y P:y P:y P:y P:z P:x P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 54 82 51 46 80 46 54 54 82 52 74 51 46 21 79 O O O O O O O O O O O O O O O -11.190 2.00 960 A 3.71 3.69 3.39 2.97 2.81 2.64 2.13 2.11 1.79 1.69 1.50 1.43 1.38 1.35 1.25 1.24 1.14 1.04 1.04 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 P:x P:y P:z P:z P:x P:y P:x P:x P:y P:x P:z P:x P:x P:y P:y P:x S D:xz P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -5.048 -9.955 -9.955 -9.955 -9.955 -6.581 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.67 1.33 1.33 1.33 1.33 1.00 0.80 1.33 1.33 48 82 54 46 52 75 79 47 50 46 74 91 27 76 54 45 121 3 32 38 O O O O O O O O O O O C O O O O H W O O -11.186 2.00 961 A 3.63 3.12 2.82 2.62 2.53 2.46 2.46 2.43 1.85 1.73 1.60 1.59 1.53 1.52 1.47 1.39 1.35 1.25 1.20 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 P:x P:x P:x P:x P:x P:y P:y P:z P:y P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 39 44 70 41 38 36 74 46 52 34 46 80 45 68 42 81 27 35 47 42 80 O O O O O O O O O O O O O O O O O O O O O -11.172 2.00 962 A 5.76 5.07 3.17 3.10 3.09 2.92 2.17 2.16 2.04 1.90 1.88 1.79 1.66 1.63 1.63 1.31 1.22 1.20 1.12 1.07 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 P:x P:x P:x P:y P:x P:x P:y P:y P:x P:z P:y P:z P:x P:x P:y P:z P:y P:x D:xy 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 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 82 51 77 52 81 54 82 81 80 53 80 51 79 52 74 23 50 29 20 53 63 O O O O O O O O O O O O O O O O O O W O O -11.158 2.00 963 A 5.37 3.56 3.32 3.19 2.63 2.28 1.96 1.79 1.66 1.64 1.55 1.44 1.31 1.27 1.27 1.18 1.17 1.14 1.11 1.10 1.09 1.06 1.05 1.05 1.04 1.03 1.00 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 3 1 1 1 1 3 1 1 3 1 P:y P:z P:z P:z P:x P:y P:x P:x P:z P:z P:y P:y D:x2-y2 P:x P:y P:y P:y D:x2-y2 P:x P:x P:z P:x D:xz P:y P:z D:xz P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 54 82 52 80 52 80 78 79 53 72 62 43 9 77 26 47 76 11 82 26 47 54 20 75 79 11 51 O O O O O O O O O O O O W O O O O W O O O O W O O W O -11.139 2.00 964 A 4.85 4.65 4.48 4.24 3.72 3.31 2.40 2.19 2.11 1.71 1.47 1.46 1.38 1.35 1.35 1.34 1.34 1.25 1.23 1.08 1.04 1.01 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 3 1 1 1 1 1 1 P:z P:z P:z P:z P:y P:x P:x P:x P:x P:y P:z P:z D:z2 D:z2 P:y D:z2 P:y P:z P:z P:y P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 74 79 47 78 46 48 77 80 79 81 75 65 13 3 49 12 75 51 49 51 30 71 O O O O O O O O O O O O W W O W O O O O O O -11.123 2.00 965 A 6.24 5.01 4.97 3.88 3.51 2.14 1.83 1.68 1.58 1.50 1.49 1.45 1.42 1.36 1.27 1.24 1.16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:z P:y P:x P:z P:x P:x P:x P:z P:y P:z P:y P:z P:y P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 79 74 46 47 48 55 76 80 52 51 80 77 46 75 78 81 56 O O O O O O O O O O O O O O O O O -11.111 2.00 966 A 7.52 4.27 3.79 2.91 2.40 2.23 2.04 1.96 1.71 1.71 1.42 1.26 1.24 1.23 1.18 1.12 1.12 1.11 1.10 1.09 1.06 1.05 1.02 1 1 1 1 1 1 1 1 3 1 3 1 1 1 1 1 1 3 1 1 3 1 1 P:z P:y P:z P:y P:x P:x P:x P:y D:yz P:z D:x2-y2 P:x P:x P:z P:y P:z P:z D:z2 P:x P:x D:xz P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 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 48 81 81 53 50 53 42 76 10 76 5 74 78 50 44 82 67 5 77 25 10 48 54 O O O O O O O O W O W O O O O O O W O O W O O -11.099 2.00 967 A 4.54 4.17 4.05 2.59 2.59 2.42 2.05 1.67 1.61 1.60 1.56 1.46 1.45 1.35 1.32 1.25 1.15 1.09 1.07 1.05 1.00 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 P:z P:y P:z P:x P:x P:z P:z P:x P:y P:x P:x D:yz P:x P:z P:y P:z P:y 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 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 50 48 76 52 54 53 78 77 53 81 41 7 82 54 78 36 49 62 50 80 23 O O O O O O O O O O O W O O O O O O O O O -11.092 2.00 968 A 7.35 4.60 3.39 2.62 2.38 2.31 2.10 1.69 1.68 1.66 1.63 1.59 1.45 1.43 1.43 1.43 1.36 1.18 1.12 1.05 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 P:z P:y P:x P:x P:z P:z P:y P:z P:y P:z P:x P:z P:x P:y D:yz D:yz 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 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 53 52 80 54 75 81 53 78 78 39 78 44 51 64 19 16 50 30 77 82 79 53 O O O O O O O O O O O O O O W W O O O O O O -11.058 2.00 969 A 3.80 3.45 2.95 1.97 1.74 1.73 1.62 1.55 1.53 1.49 1.38 1.38 1.34 1.30 1.28 1.27 1.18 1.09 1.06 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:x P:z P:y P:y P:x P:y P:y P:x P:y P:z P:z P:x P:y P:y P:y P:z P:x P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 78 71 49 53 67 68 77 47 28 40 35 62 45 76 72 81 36 81 81 68 35 O O O O O O O O O O O O O O O O O O O O O -11.049 2.00 970 A 7.93 3.12 2.87 2.05 1.96 1.50 1.49 1.45 1.33 1.32 1.28 1.28 1.26 1.23 1.21 1.16 1.14 1.12 1.11 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:x P:x P:z P:y P:z P:x P:z P:y P:z P:y P:x P:z S P:z P:x P:x S -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -5.048 -9.955 -9.955 -9.955 -9.955 -5.048 -9.955 -6.581 -9.955 -9.955 -7.353 -6.581 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.67 1.33 1.33 1.33 1.33 0.67 1.33 1.00 1.33 1.33 1.00 1.00 49 40 50 71 51 68 47 35 109 64 69 45 76 112 33 175 48 52 88 183 O O O O O O O O C O O O O C O H O O N H -11.048 2.00 971 A 3.88 3.64 3.08 2.89 2.69 2.61 2.45 2.43 2.16 1.91 1.89 1.66 1.63 1.63 1.58 1.57 1.57 1.53 1.40 1.35 1.31 1.30 1.29 1.23 1.13 1.11 1.11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:x P:y P:y P:x P:z P:y P:y P:z P:y P:z P:y P:x P:y P:z P:z P:z P:z P:y P:y P:z P:y P:y P:z P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 70 72 65 37 43 38 38 60 41 76 26 69 26 78 69 53 37 75 39 43 76 48 40 60 81 68 O O O O O O O O O O O O O O O O O O O O O O O O O O O -11.034 2.00 972 A 3.97 3.70 3.12 2.94 2.90 2.75 2.26 2.24 2.17 2.06 2.03 1.64 1.51 1.39 1.36 1.32 1.24 1.17 1.09 1.04 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 1 1 1 1 3 P:x P:x P:y P:y P:x P:z P:y P:x P:x P:z P:y P:z P:z D:x2-y2 P:x D:xz P:y P:x P:z P:x D:z2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 53 50 76 48 78 48 53 81 49 78 81 50 76 19 36 16 41 44 42 34 5 O O O O O O O O O O O O O W O W O O O O W -11.022 2.00 973 A 5.54 5.08 4.74 3.96 3.16 3.10 2.78 2.46 1.67 1.45 1.45 1.42 1.27 1.15 1 1 1 1 1 1 1 1 1 1 1 1 1 3 P:y P:x P:z P:x P:z P:y P:z P:z P:x P:y P:y P:z P:z D:x2-y2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -5.048 -9.955 -9.955 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.67 1.33 1.33 0.80 50 49 76 77 78 47 77 75 78 75 94 51 48 6 O O O O O O O O O O C O O W -10.876 2.00 974 A 4.59 4.29 4.05 3.04 2.86 2.69 2.29 2.23 2.04 1.95 1.89 1.72 1.65 1.56 1.48 1.40 1.36 1.35 1.32 1.32 1.32 1.31 1.22 1.12 1.11 1.09 1.09 1.07 1.06 1 1 1 1 3 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 P:x P:x P:x P:x D:x2-y2 P:x P:x P:y P:x P:x P:y D:xz P:z P:z P:z P:x P:z P:y P:z P:y P:z D:xy P:y P:z P:y P:z P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 65 31 39 64 16 30 44 40 60 26 72 7 29 41 71 41 63 69 62 41 50 10 28 26 63 43 60 37 71 O O O O W O O O O O O W O O O O O O O O O W O O O O O O O -10.864 2.00 975 A 3.55 2.90 2.54 2.44 2.38 2.17 2.11 2.06 2.03 1.95 1.94 1.92 1.86 1.78 1.75 1.63 1.46 1.40 1.37 1.33 1.33 1.30 1.25 1.23 1.21 1.19 1.16 1.13 1.08 1.07 1.05 1.05 1.04 1 1 1 1 1 1 1 1 1 1 3 1 1 1 3 1 3 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 P:y P:y P:y 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24 58 55 50 48 79 76 49 56 74 24 58 46 23 51 56 81 57 77 78 78 48 51 50 47 76 75 57 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.487 2.00 988 A 2.53 2.32 2.27 2.19 2.12 2.07 2.07 2.07 2.05 1.92 1.89 1.85 1.85 1.84 1.83 1.82 1.80 1.73 1.68 1.66 1.66 1.62 1.60 1.58 1.54 1.54 1.48 1.48 1.47 1.44 1.42 1.42 1.40 1.31 1.27 1.27 1.25 1.22 1.19 1.11 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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:z P:y P:z P:z P:y P:z P:z P:y P:y P:y P:y P:y P:y P:z P:y P:y P:z P:y P:y P:y P:y P:z P:z P:y P:z P:z P:z P:z P:z P:y P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 78 47 52 21 57 75 56 53 80 22 22 23 51 74 50 81 46 79 23 81 50 76 47 77 58 55 48 54 51 55 52 80 49 79 74 78 53 56 82 24 75 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.478 2.00 989 A 5.18 4.58 4.56 4.13 3.91 3.35 3.12 3.04 2.94 2.80 2.80 2.63 2.54 2.51 2.50 2.39 2.22 2.08 2.06 2.04 2.00 1.91 1.82 1.78 1.55 1.17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 77 49 57 55 82 48 76 23 75 74 54 53 21 52 22 47 80 50 46 81 24 51 56 78 79 58 O O O O O O O O O O O O O O O O O O O O O O O O O O -10.440 2.00 990 A 3.94 3.58 3.57 3.11 3.03 2.99 2.95 2.48 2.46 2.46 2.25 2.14 2.01 1.94 1.79 1.63 1.55 1.46 1.45 1.44 1.37 1.33 1.18 1.17 1.16 1.04 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:x P:y P:z P:y P:y P:z P:z P:x P:y P:x P:z P:z P:y P:z P:y P:x P:x P:z P:x P:z P:z P:z P:y P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 53 22 21 58 56 81 24 24 58 55 52 54 57 78 50 55 56 82 58 74 24 80 77 79 23 23 51 O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.436 2.00 991 A 6.00 4.99 3.03 2.49 2.35 2.13 2.09 2.07 2.07 1.80 1.75 1.68 1.67 1.67 1.62 1.58 1.58 1.52 1.45 1.41 1.40 1.35 1.33 1.23 1.23 1.16 1.08 1.06 1.06 1.04 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z P:z P:z P:z P:y P:x P:x P:z P:z P:y P:x P:y P:y P:y P:y P:x P:y P:z P:y P:x P:y P:x P:z P:y P:z 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 -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 58 24 21 22 46 48 50 23 49 76 78 23 57 76 24 55 56 77 74 51 47 48 58 56 52 57 75 75 21 79 55 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.425 2.00 992 A 3.35 3.04 3.00 2.60 2.50 2.46 2.43 2.37 2.23 2.11 2.08 2.06 1.94 1.84 1.83 1.69 1.59 1.58 1.48 1.41 1.37 1.32 1.32 1.29 1.29 1.19 1.18 1.15 1.12 1.12 1.06 1.05 1.04 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 P:x P:x P:x P:x P:x P:x P:y P:x P:x P:y P:x P:y P:x P:y P:y P:x P:z P:y P:x P:y P:z P:x P:z P:z P:y P:y P:z P:x P:y P:x P:y D:xz 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 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 38 70 29 63 45 44 35 39 32 68 73 27 31 61 33 66 35 42 30 36 27 64 61 28 32 45 68 41 25 65 73 4 60 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 W O O -10.319 2.00 993 A 3.94 3.91 3.64 3.40 2.58 2.50 2.49 2.47 2.37 2.28 2.16 2.03 1.94 1.72 1.69 1.64 1.62 1.58 1.57 1.48 1.39 1.30 1.21 1.18 1.16 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y P:y P:z P:y P:z P:y P:y P:z P:y P:z P:y P:z P:x P:z P:x P:x P:x P:z P:y P:y P:z P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 51 46 79 74 52 75 22 80 56 47 56 57 55 21 23 74 22 79 21 55 77 49 55 21 82 54 O O O O O O O O O O O O O O O O O O O O O O O O O O -10.310 2.00 994 A 4.72 4.40 4.00 3.56 3.55 3.43 2.80 2.76 2.46 2.44 2.34 2.10 2.04 1.83 1.76 1.70 1.67 1.64 1.57 1.52 1.50 1.47 1.47 1.46 1.27 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 P:x P:x P:x P:x P:x P:x P:y P:x P:x P:y P:x P:y P:x P:x P:x P:x P:x P:x P:z P:z P:y P:y P:y P:x P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 49 23 57 55 21 54 47 77 75 52 22 77 82 47 56 80 46 74 75 80 23 82 56 52 57 49 O O O O O O O O O O O O O O O O O O O O O O O O O O -10.237 2.00 995 A 3.00 2.75 2.44 2.36 2.34 2.13 1.97 1.93 1.92 1.82 1.80 1.75 1.71 1.70 1.61 1.54 1.47 1.43 1.36 1.36 1.29 1.27 1.25 1.23 1.12 1.11 1.08 1.06 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:x P:y P:z P:z P:z P:z P:z P:x P:y P:z P:y P:z P:z P:z P:z P:y P:y P:z P:y P:x P:y P:y P:x P:z P:y P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 70 73 68 29 38 21 63 57 32 27 45 24 66 58 22 56 23 23 22 55 55 61 54 46 35 47 24 49 66 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.181 2.00 996 A 2.07 1.94 1.88 1.88 1.87 1.84 1.82 1.79 1.74 1.71 1.69 1.67 1.66 1.62 1.59 1.57 1.54 1.45 1.30 1.28 1.17 1.14 1.10 1.09 1.06 1.05 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:z P:z P:x P:x P:y P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:y P:z P:y P:y P:y P:y P:y P:y P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 82 35 49 74 68 61 63 80 47 46 54 75 77 51 79 52 27 77 66 79 70 75 38 54 46 80 23 55 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.153 2.00 997 A 2.40 2.12 1.98 1.95 1.85 1.81 1.81 1.80 1.77 1.75 1.71 1.70 1.69 1.68 1.61 1.57 1.56 1.54 1.50 1.46 1.45 1.44 1.44 1.42 1.42 1.41 1.38 1.31 1.29 1.18 1.15 1.13 1.13 1.11 1.10 1.05 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:x P:y P:x P:x P:z P:z P:x P:y P:y P:y P:z P:z P:x P:y P:x P:y P:z P:y P:z P:z P:z P:y P:x P:y P:y P:x P:x P:x P:x P:z P:z P:z P:y P:z P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 39 33 41 40 44 37 43 29 31 38 63 36 71 28 61 62 30 78 45 25 81 66 67 32 35 34 72 60 65 42 27 70 26 50 42 59 34 73 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -10.123 2.00 998 A 6.94 6.69 5.55 5.19 4.61 3.29 3.06 2.93 2.84 2.62 1.89 1.88 1.86 1.83 1.56 1.56 1.55 1.29 1.28 1.18 1.16 1.11 1.10 1.02 1 1 1 1 1 1 3 1 1 1 1 1 1 3 1 1 3 1 1 1 1 1 3 1 P:y P:z P:z P:z P:y P:y D:x2-y2 P:y P:z P:z P:y P:y P:z D:xz P:x P:x D:z2 P:y P:x P:z P:z P:x D:xy P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 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 1.33 0.80 1.33 40 29 63 71 63 72 16 29 43 66 69 32 32 7 64 31 7 28 65 37 62 30 10 61 O O O O O O W O O O O O O W O O W O O O O O W O -10.111 2.00 999 A 5.65 5.03 4.96 4.47 3.66 3.38 3.17 3.13 3.09 2.98 2.60 2.25 2.24 2.18 2.14 1.96 1.59 1.44 1.40 1.37 1.27 1.22 1.22 1.08 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 3 3 3 1 P:z P:z P:x P:z P:z P:y P:x P:x P:z P:y P:y D:xy D:yz P:y P:z P:x P:y P:x P:y P:x D:yz D:z2 D:x2-y2 P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 27 61 37 66 32 27 72 69 43 61 32 10 5 66 69 43 72 71 67 40 14 19 14 59 O O O O O O O O O O O W W O O O O O O O W W W O -9.937 2.00 1000 A 5.68 5.61 4.57 4.45 4.42 3.90 3.73 3.62 3.54 2.46 2.30 2.14 2.09 1.95 1.93 1.51 1.51 1.50 1.42 1.42 1.27 1.07 1.05 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:x P:z P:x P:x P:z P:y P:y P:x P:z P:z P:y P:y P:x P:x P:x P:z P:z P:y P:y P:z P:z P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 70 68 27 73 35 61 38 29 45 45 32 63 66 63 66 32 73 21 57 38 35 22 56 55 38 O O O O O O O O O O O O O O O O O O O O O O O O O -9.768 2.00 1001 A 3.39 2.65 2.63 2.49 2.48 2.40 2.30 1.98 1.97 1.87 1.83 1.81 1.80 1.78 1.69 1.68 1.67 1.60 1.48 1.44 1.43 1.29 1.26 1.24 1.22 1.17 1.16 1.16 1.12 1.10 1.10 1.05 1.04 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:x P:x P:z P:y P:y P:z P:y P:y P:x P:x P:x P:z P:x P:x P:z P:z P:z P:y P:y P:x P:z P:x P:z P:y P:z P:x P:x P:y P:x P:y P:z P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 72 58 24 47 45 26 43 23 73 41 75 28 68 60 35 73 22 52 76 31 57 80 57 39 56 56 69 45 62 37 34 80 43 39 41 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.765 2.00 1002 A 2.48 2.40 2.40 2.39 2.26 2.01 1.99 1.82 1.75 1.71 1.67 1.64 1.61 1.54 1.51 1.50 1.48 1.41 1.38 1.37 1.35 1.33 1.32 1.31 1.29 1.24 1.21 1.18 1.17 1.08 1.06 1.05 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y P:x P:y P:y P:z P:x P:x P:x P:z P:y P:z P:y P:y P:z P:x P:z P:y P:x P:y P:x P:y P:z P:x P:z P:y P:y P:y P:z P:y P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 40 55 51 71 35 49 58 79 68 33 34 77 24 21 38 21 78 46 25 59 44 70 67 82 37 36 54 50 42 63 56 31 30 76 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.757 2.00 1003 A 6.53 5.28 3.88 3.70 3.60 2.78 2.64 2.41 2.24 1.89 1.88 1.86 1.78 1.68 1.63 1.58 1.51 1.48 1.42 1.38 1.33 1.29 1.21 1.18 1.13 1.10 1.09 1.07 1.07 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 P:y P:z P:x P:z P:z P:z P:y P:y P:y P:z P:y P:z P:x P:z P:z P:z P:z P:y P:z P:x P:z P:z P:z P:x P:y P:x P:x P:x P:y P:y P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 38 70 35 45 66 29 73 32 63 68 68 27 68 61 67 35 40 27 71 42 25 65 30 61 64 73 59 70 31 71 36 63 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.683 2.00 1004 A 4.74 4.59 3.42 3.23 3.23 2.90 2.31 2.24 2.13 1.93 1.89 1.87 1.82 1.77 1.76 1.75 1.43 1.38 1.35 1.33 1.27 1.24 1.20 1.19 1.17 1.11 1.10 1.08 1.08 1.08 1.04 1.01 1.01 1.00 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:x P:x P:y P:x P:z P:z P:y P:x P:x P:y P:y P:x P:x P:x P:y P:x P:x P:y P:x P:y P:x P:y P:x P:x P:y P:x P:y P:y P:x P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 55 21 56 23 57 22 36 22 56 57 42 34 23 39 78 50 77 44 49 41 75 82 31 81 76 33 51 48 53 41 80 54 65 39 30 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.658 2.00 1005 A 5.58 5.04 4.22 3.86 3.85 3.18 2.91 2.67 2.01 1.95 1.83 1.69 1.68 1.64 1.62 1.53 1.51 1.51 1.47 1.35 1.33 1.31 1.27 1.26 1.22 1.20 1.13 1.12 1.12 1.11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:y P:y P:z P:y P:z P:z P:x P:x P:y P:x P:x P:z P:x P:y P:y P:z P:x P:y P:z P:z P:x P:x P:y P:y P:y P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 70 45 68 73 38 35 68 73 38 31 30 33 37 65 50 60 35 78 81 35 25 67 28 64 26 70 53 62 69 40 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.647 2.00 1006 A 3.71 3.32 3.20 3.16 3.07 2.98 2.88 2.80 2.41 2.36 2.33 2.22 2.00 1.99 1.98 1.89 1.77 1.71 1.59 1.57 1.40 1.33 1.31 1.31 1.30 1.29 1.15 1.15 1.10 1.06 1.06 1.04 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:y P:z P:z P:z P:y P:y P:z P:y P:z P:z P:z P:z P:x P:y P:x P:z P:z P:y P:x P:z P:y P:z P:z P:y P:z P:z P:y P:z P:y P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 38 29 70 32 73 63 45 71 72 66 35 58 24 40 27 35 69 55 23 43 68 22 24 61 68 61 56 21 58 27 21 57 66 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.559 2.00 1007 A 4.27 3.79 3.27 2.73 2.72 2.38 2.27 2.26 2.24 2.22 2.17 1.93 1.93 1.92 1.82 1.73 1.66 1.65 1.51 1.49 1.49 1.41 1.38 1.27 1.27 1.26 1.18 1.17 1.16 1.12 1.10 1.09 1.09 1.05 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:x P:z P:x P:y P:x P:x P:y P:z P:z P:z P:x P:x P:z P:z P:z P:y P:y P:z P:z P:z P:y P:y P:z P:x P:y P:z P:y P:y P:y P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 72 52 43 69 69 68 37 47 35 80 56 75 22 78 50 37 65 23 64 75 57 47 76 31 48 30 80 53 73 22 45 56 74 23 51 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.557 2.00 1008 A 5.73 5.25 3.35 3.27 3.14 3.04 2.61 2.33 2.28 2.24 2.13 1.79 1.70 1.67 1.51 1.48 1.48 1.40 1.40 1.36 1.36 1.17 1.12 1.07 1.07 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:y P:z P:z P:y P:z P:z P:y P:y P:z P:z P:y P:z P:x P:y P:z P:y P:z P:y P:x P:x P:y P:y P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 71 40 49 77 54 51 79 21 70 82 55 38 76 72 46 21 48 55 25 38 33 53 81 43 59 74 O O O O O O O O O O O O O O O O O O O O O O O O O O -9.535 2.00 1009 A 5.24 5.23 3.63 3.08 2.94 2.94 2.63 2.60 2.50 2.48 2.31 2.18 2.15 1.93 1.93 1.91 1.85 1.82 1.81 1.71 1.42 1.39 1.35 1.31 1.21 1.20 1.10 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 P:x P:x P:z P:x P:y P:y P:x P:z P:z P:z P:x P:z P:y P:x P:x P:y P:x P:z P:y P:x P:z P:y P:y P:y P:z P:x P:x P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 39 41 72 60 37 43 31 69 37 65 44 30 64 68 26 62 35 28 31 65 26 73 44 34 45 58 69 30 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 -9.530 2.00 1010 A 5.02 3.88 3.77 3.72 3.43 3.43 2.68 2.65 2.51 2.30 2.29 2.19 2.02 1.88 1.59 1.47 1.45 1.42 1.41 1.41 1.38 1.26 1.07 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:y P:z P:x P:y P:y P:y P:z P:y P:x P:y P:z P:y P:z P:z P:z P:x P:z P:z P:z P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 40 33 36 67 42 71 62 34 36 38 59 25 28 42 34 71 37 25 72 70 59 44 70 44 O O O O O O O O O O O O O O O O O O O O O O O O -9.398 2.00 1011 A 5.95 5.46 4.72 4.69 4.65 4.64 3.23 3.00 2.88 2.60 2.57 2.36 2.33 2.25 2.18 2.03 2.03 1.59 1.22 1.16 1.08 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 3 1 P:x P:x P:x P:y P:y P:x P:z P:y P:z P:z P:z P:x P:y P:y P:y P:x P:x P:x D:xz P:x P:y D:z2 P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 31 30 64 33 25 65 28 62 26 67 59 60 67 60 59 62 26 28 4 59 28 9 64 O O O O O O O O O O O O O O O O O O W O O W O -9.360 2.00 1012 A 4.91 3.94 3.16 3.13 3.12 3.01 2.89 2.83 2.58 2.42 2.35 2.33 2.33 2.15 2.12 1.99 1.73 1.42 1.31 1.30 1.29 1.27 1.24 1.23 1.23 1.19 1.17 1.12 1.12 1.09 1.09 1.08 1.07 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:z P:x P:x P:z P:y P:z P:z P:y P:y P:x P:x P:z P:z P:x P:z P:z P:z P:z P:y P:x P:x P:z P:x P:y P:z P:y P:x P:y P:z P:x P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 39 41 22 50 41 57 26 39 56 31 44 42 78 80 51 56 60 44 47 42 22 23 36 41 81 23 49 79 65 42 75 64 59 52 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.354 2.00 1013 A 6.51 6.35 4.46 3.90 3.90 2.37 2.09 2.06 2.00 1.97 1.87 1.76 1.76 1.76 1.58 1.57 1.57 1.49 1.44 1.36 1.33 1.29 1.27 1.19 1.18 1.11 1.08 1.05 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:z P:x P:x P:z P:y P:x P:z P:y P:z P:x P:x P:y P:y P:x P:y P:y P:z P:x P:z P:z P:y P:x P:z P:y P:z P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 36 34 55 21 42 33 57 76 28 82 44 44 62 67 54 23 44 48 34 48 53 25 74 59 81 46 46 49 76 63 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.346 2.00 1014 A 7.58 7.29 5.93 5.52 4.88 4.84 3.55 2.97 2.96 2.53 2.20 2.19 1.71 1.71 1.50 1.48 1.33 1.23 1.23 1.17 1.16 1.14 1.12 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:y P:x P:x P:y P:y P:z P:z P:y P:y P:z P:y P:z P:y P:x P:x P:z 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 -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 55 21 22 56 57 23 23 57 22 56 52 47 46 74 75 79 54 78 30 49 80 51 55 65 O O O O O O O O O O O O O O O O O O O O O O O O -9.316 2.00 1015 A 6.00 4.61 4.45 4.23 3.97 3.50 2.93 2.78 2.69 2.31 2.12 1.80 1.73 1.51 1.41 1.33 1.33 1.26 1.22 1.19 1.18 1.14 1.12 1.11 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:x P:x P:y P:x P:y P:x P:x P:x P:x P:y P:y P:x P:z P:y P:x P:z P:y P:x P:y P:x P:x P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 73 72 75 68 45 35 43 45 52 37 47 35 48 43 81 37 78 65 77 69 49 73 57 35 62 52 O O O O O O O O O O O O O O O O O O O O O O O O O O -9.312 2.00 1016 A 3.96 3.57 3.43 3.36 3.30 3.25 3.15 3.14 2.93 2.80 2.72 2.69 2.69 2.68 2.67 2.66 2.60 2.44 2.33 2.21 2.04 1.81 1.68 1.60 1.59 1.10 1.08 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 P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:x P:y P:y P:y P:y P:y P:z P:y P:z P:y P:y D:yz P:y D:yz P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 11.981 -9.955 11.981 -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 0.00 1.33 0.00 1.33 40 23 24 21 58 55 72 56 22 57 71 56 24 57 69 58 21 22 23 55 37 43 69 31 37 1 78 2 26 O O O O O O O O O O O O O O O O O O O O O O O O O P O P O -9.308 2.00 1017 A 8.88 6.34 5.67 4.03 3.93 3.48 2.36 2.24 2.20 1.82 1.56 1.49 1.44 1.43 1.40 1.29 1.19 1.16 1.13 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 P:y P:y P:z P:z P:x P:x P:x P:y P:x P:y P:x P:z P:y P:x P:y P:y P:x P:x P:y P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 70 71 38 40 74 68 69 78 46 79 35 82 64 53 62 29 38 76 82 82 37 O O O O O O O O O O O O O O O O O O O O O -9.303 2.00 1018 A 3.49 3.38 2.97 2.71 2.54 2.46 2.44 2.10 2.01 2.01 1.96 1.89 1.84 1.82 1.73 1.71 1.61 1.58 1.52 1.43 1.38 1.36 1.35 1.28 1.23 1.15 1.15 1.13 1.10 1.05 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:z P:x P:z P:y P:z P:y P:y P:z P:y P:x P:x P:x P:x P:y P:x P:y P:x P:z P:z P:z P:x P:x P:y P:z P:z P:y P:x P:z P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 43 72 65 42 81 44 30 64 40 66 31 43 44 47 46 32 72 53 75 71 50 67 36 33 49 21 56 42 69 57 43 39 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.298 2.00 1019 A 4.05 3.25 2.97 2.77 2.71 2.54 2.08 2.07 1.87 1.85 1.80 1.76 1.76 1.70 1.70 1.69 1.68 1.60 1.57 1.55 1.45 1.36 1.33 1.32 1.23 1.19 1.14 1.13 1.08 1.06 1.05 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:y P:x P:z P:x P:x P:y P:z P:y P:z P:x P:z P:y P:x P:z P:y P:z P:z P:y P:x P:x P:z P:y P:x P:x P:z P:x P:x P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 37 41 40 34 69 28 80 39 63 54 36 34 60 76 54 61 60 69 50 71 77 76 28 36 62 50 21 29 23 27 26 67 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.153 2.00 1020 A 5.55 4.16 3.60 3.31 3.27 3.21 2.95 2.93 2.48 2.43 2.22 1.80 1.55 1.43 1.38 1.34 1.31 1.30 1.25 1.24 1.22 1.22 1.20 1.17 1.16 1.14 1.12 1.08 1.05 1.04 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y P:z P:y P:z P:z P:z P:z P:z P:y P:y P:y P:y P:y P:z P:y P:y P:y P:z P:z P:y P:x P:y P:y P:x P:y P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 42 26 39 40 41 59 42 25 60 71 43 72 56 31 60 29 39 22 78 44 63 44 36 39 57 71 44 70 50 66 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.149 2.00 1021 A 7.76 6.11 5.20 4.10 3.20 3.18 2.86 2.79 2.44 2.09 2.07 1.84 1.78 1.77 1.56 1.46 1.39 1.36 1.32 1.22 1.15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:y P:z P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 34 36 44 37 69 39 28 62 64 55 33 57 67 21 30 42 23 31 30 65 68 O O O O O O O O O O O O O O O O O O O O O -9.103 2.00 1022 A 6.67 5.86 4.12 3.86 3.60 2.64 2.60 2.54 2.51 2.33 2.12 2.08 2.05 1.95 1.85 1.81 1.76 1.72 1.69 1.62 1.59 1.58 1.54 1.15 1.09 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:x P:x P:z P:z P:y P:z P:z P:y P:y P:x P:x P:y P:z P:y P:z P:x P:x P:y P:x P:x P:y P:x P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 29 63 75 47 32 70 38 45 61 66 61 35 52 73 27 77 80 80 74 52 27 46 79 68 49 68 51 O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.083 2.00 1023 A 8.07 7.87 5.21 4.23 3.65 2.79 2.56 2.33 2.12 1.87 1.71 1.70 1.66 1.61 1.56 1.53 1.52 1.50 1.45 1.38 1.27 1.21 1.19 1.18 1.14 1.14 1.08 1.04 1.03 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:z P:y P:x P:z P:z P:z P:x P:y P:x P:x P:y P:y P:z P:z P:z P:y P:y P:x P:z P:x P:z P:x P:y P:y P:z P:y P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 29 78 50 63 47 29 63 65 52 31 60 75 39 36 72 38 52 41 70 29 73 44 60 80 26 43 32 42 50 80 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.079 2.00 1024 A 6.17 4.41 4.37 4.32 3.81 3.25 2.92 2.75 2.64 2.20 2.19 2.00 1.85 1.74 1.54 1.48 1.43 1.38 1.32 1.29 1.25 1.23 1.22 1.19 1.19 1.18 1.14 1.04 1.03 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z P:x P:z P:x P:z P:y P:y P:y P:x P:x P:z P:y P:y P:y P:y P:z P:y P:x P:z P:x P:y P:y P:y P:z P:y P:y P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 61 46 81 75 32 32 50 64 63 26 33 52 82 31 59 82 48 63 77 63 28 59 29 42 35 35 32 51 28 73 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.075 2.00 1025 A 5.37 5.23 4.97 4.82 4.64 3.20 2.30 2.12 2.07 1.85 1.83 1.70 1.59 1.54 1.46 1.44 1.41 1.39 1.27 1.26 1.25 1.23 1.23 1.20 1.07 1.03 1.02 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:y P:x P:z P:z P:x P:y P:x P:z P:y P:z P:y P:y P:y P:y P:x P:y P:z P:x P:x P:x P:z P:y P:z P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 74 66 53 66 27 30 25 47 79 80 66 63 63 62 54 78 31 39 29 68 53 67 25 80 45 54 41 75 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.073 2.00 1026 A 6.74 5.48 4.62 3.79 3.61 3.38 3.23 2.86 2.70 2.60 2.58 2.28 2.24 2.14 2.13 2.01 1.78 1.47 1.46 1.35 1.32 1.27 1.24 1.17 1.14 1.12 1.05 1.05 1.03 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z P:x P:x P:z P:z P:x P:y P:x P:x P:y P:z P:y P:x P:x P:x P:z P:x P:y P:y P:y P:z P:z P:x P:z P:z P:x P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 61 76 81 34 48 48 40 44 71 36 27 77 72 48 28 33 53 32 81 32 53 78 38 76 59 50 71 32 64 42 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.070 2.00 1027 A 8.53 3.60 3.34 3.28 3.19 3.05 3.00 2.45 2.23 2.20 2.17 2.12 2.03 2.01 1.97 1.72 1.71 1.68 1.65 1.55 1.55 1.54 1.53 1.46 1.43 1.40 1.33 1.32 1.29 1.26 1.26 1.19 1.13 1.12 1.10 1.09 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:y P:y P:y P:z P:x P:x P:z P:y P:x P:x P:x P:x P:x P:x P:x P:z P:y P:x P:z P:x P:x P:z P:x P:x P:x P:y P:x P:y P:x P:x P:z 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 -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 27 49 77 54 79 32 76 61 82 66 46 67 21 74 62 66 32 30 49 24 67 55 59 51 51 58 25 53 28 46 33 53 25 62 64 23 79 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -9.000 2.00 1028 A 3.86 3.76 3.67 3.49 2.98 2.95 2.84 2.63 2.62 2.34 2.09 2.08 2.08 1.89 1.86 1.86 1.83 1.76 1.68 1.67 1.66 1.59 1.48 1.37 1.24 1.19 1.13 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:x P:x P:x P:y P:x P:y P:z P:y P:x P:z P:x P:z P:z P:y P:y P:x P:z P:x P:y P:x P:y P:y P:z P:x P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 46 51 75 47 74 49 61 80 77 82 68 73 82 52 54 70 63 35 79 27 77 80 79 45 38 54 52 43 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.969 2.00 1029 A 5.57 4.69 3.82 3.61 3.33 3.31 3.28 3.27 2.67 2.57 2.48 2.28 2.25 2.05 2.00 1.94 1.93 1.80 1.72 1.69 1.67 1.58 1.53 1.53 1.47 1.40 1.29 1.27 1.15 1.15 1.08 1.05 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:x P:y P:y P:y P:y P:z P:x P:y P:z P:x P:x P:x P:y P:x P:z P:y P:x P:x P:x P:z P:z P:x P:z P:z P:z P:x P:x P:y P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 78 52 50 47 80 31 29 26 65 53 63 60 33 59 67 76 81 25 75 60 74 75 48 63 25 79 29 47 26 46 59 75 50 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.967 2.00 1030 A 4.49 4.26 4.20 3.90 3.82 2.95 2.90 2.86 2.84 2.75 2.70 2.69 2.62 2.54 1.97 1.94 1.85 1.77 1.71 1.58 1.54 1.47 1.44 1.43 1.33 1.19 1.18 1.18 1.07 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:z P:y P:y P:x P:y P:x P:z P:x P:x P:z P:x P:y P:z P:z P:z P:y P:z P:y P:z P:x P:x P:y P:z 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 -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 27 28 49 54 53 64 50 48 62 30 78 61 81 76 31 77 76 79 62 74 82 65 48 33 51 32 66 26 68 67 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.954 2.00 1031 A 3.71 3.21 3.13 2.86 2.84 2.65 2.64 2.42 2.38 2.13 2.13 2.10 1.98 1.96 1.95 1.83 1.82 1.79 1.77 1.69 1.69 1.67 1.66 1.58 1.50 1.48 1.45 1.45 1.43 1.33 1.25 1.24 1.05 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:x P:z P:y P:z P:z P:z P:y P:z P:y P:x P:y P:y P:x P:z P:x P:x P:x P:z P:y P:z P:x P:x P:z P:z P:y P:z P:z P:y P:x P:x P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 51 61 46 81 32 29 66 79 63 30 53 76 49 78 32 25 59 33 27 77 64 54 53 74 50 52 31 65 67 82 47 48 48 62 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.947 2.00 1032 A 3.98 3.13 3.12 2.83 2.71 2.70 2.65 2.61 2.55 2.39 2.26 2.11 2.03 1.99 1.80 1.78 1.77 1.70 1.63 1.57 1.57 1.46 1.33 1.28 1.22 1.18 1.17 1.16 1.14 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:y P:x P:x P:y P:x P:z P:z P:z P:x P:z P:x P:x P:x P:x P:x P:x P:y P:x P:z P:x P:z P:y P:x P:z P:y P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 68 27 35 68 44 24 27 58 66 45 61 39 22 30 31 35 34 61 37 35 65 56 64 28 32 27 69 22 73 36 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.944 2.00 1033 A 5.18 4.62 4.59 4.29 3.90 3.31 2.87 2.65 2.45 2.34 2.24 1.95 1.83 1.78 1.75 1.75 1.73 1.70 1.69 1.66 1.43 1.39 1.39 1.38 1.35 1.25 1.11 1.09 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 P:z P:y P:y P:z P:z P:z P:y P:y P:y P:z P:z P:y P:z P:y P:y P:y P:y P:z P:y P:z P:y P:z P:y P:z P:y P:z P:z P:y P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 70 63 38 29 45 66 73 32 40 21 71 25 43 42 72 24 55 57 58 38 41 26 23 59 36 42 73 33 60 24 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.915 2.00 1034 A 5.46 3.61 3.25 3.20 3.20 2.75 2.70 2.68 2.64 2.61 2.35 1.97 1.84 1.83 1.80 1.70 1.61 1.59 1.45 1.41 1.40 1.39 1.26 1.23 1.16 1.16 1.13 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:x P:x P:z P:y P:x P:x P:x P:y P:y P:x P:y P:x P:y P:z P:x P:x P:z P:z P:x P:x P:x P:x P:z P:z P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 78 72 50 69 73 45 37 43 58 76 43 72 48 67 77 65 60 68 57 80 24 75 47 45 76 58 39 65 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.910 2.00 1035 A 4.37 4.06 3.84 3.54 3.20 3.01 2.76 2.59 2.05 1.90 1.75 1.50 1.48 1.48 1.44 1.43 1.36 1.35 1.34 1.29 1.23 1.18 1.15 1.14 1.13 1.11 1.10 1.09 1.09 1.05 1.02 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:y P:z P:x P:z P:x P:x P:y P:y P:x P:y P:x P:x P:x P:y P:z P:z P:y P:x P:z P:x P:y P:y P:z P:x P:x P:y P:y P:x P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 71 53 70 38 69 40 37 81 40 24 25 53 24 74 68 58 21 48 48 59 30 28 64 54 51 46 40 55 81 44 22 79 76 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.903 2.00 1036 A 5.47 5.15 4.36 3.44 3.18 2.64 2.60 2.59 2.47 2.43 2.37 2.09 1.95 1.85 1.85 1.78 1.69 1.58 1.54 1.51 1.33 1.29 1.27 1.26 1.22 1.18 1.07 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:x P:z P:x P:z P:z P:y P:y P:x P:x P:z P:z P:y P:z P:z P:y P:x P:x P:x P:z P:z P:y P:x P:x P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 50 33 65 78 66 48 76 26 67 24 67 47 32 79 77 48 32 61 58 49 24 51 59 66 27 75 54 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.900 2.00 1037 A 4.25 4.17 3.60 2.88 2.78 2.63 2.51 2.37 2.24 2.21 2.09 2.08 2.05 2.05 1.99 1.98 1.86 1.84 1.81 1.73 1.72 1.71 1.64 1.56 1.56 1.55 1.43 1.39 1.33 1.22 1.18 1.17 1.10 1.09 1.08 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:z P:x P:y P:x P:x P:y P:x P:z P:y P:y P:x P:z P:y P:y P:y P:x P:z P:x P:z P:z P:z P:x P:z P:x P:z P:y P:y P:x P:y P:y P:z P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 81 64 30 53 62 59 28 63 61 76 81 48 58 25 58 26 53 62 52 27 54 28 74 24 29 60 60 24 59 25 82 46 82 80 79 71 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.852 2.00 1038 A 3.83 3.37 3.15 2.85 2.41 2.24 2.21 1.99 1.95 1.86 1.83 1.80 1.71 1.68 1.67 1.63 1.56 1.54 1.46 1.43 1.40 1.35 1.19 1.15 1.14 1.14 1.14 1.12 1.09 1.07 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:x P:y P:x P:x P:z P:y P:z P:x P:z P:y P:x P:z P:x P:y P:x P:y P:z P:z P:z P:x P:z P:x P:y P:y P:y P:z P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 51 79 39 49 31 41 32 36 74 65 77 66 46 72 47 33 44 42 26 67 73 24 46 50 74 60 45 42 43 60 75 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.849 2.00 1039 A 3.48 3.28 2.38 2.15 2.13 2.12 2.11 2.07 2.04 2.02 1.98 1.76 1.75 1.69 1.67 1.62 1.60 1.51 1.47 1.46 1.44 1.33 1.29 1.28 1.27 1.27 1.21 1.19 1.17 1.16 1.13 1.11 1.10 1.07 1.03 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y P:y P:x P:x P:x P:x P:y P:x P:y P:z P:y P:z P:x P:y P:x P:y P:z P:y P:z P:z P:x P:y P:z P:y P:y P:z P:z P:z P:x P:z P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 52 54 80 29 82 34 36 44 30 25 42 41 63 70 47 27 39 64 62 40 75 77 41 24 64 75 49 71 38 49 28 58 59 82 68 46 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.796 2.00 1040 A 4.19 4.15 3.76 3.11 2.99 2.93 2.92 2.89 2.87 2.61 2.43 2.36 2.29 2.20 2.17 2.07 1.94 1.92 1.89 1.86 1.86 1.69 1.67 1.62 1.61 1.59 1.47 1.43 1.42 1.42 1.39 1.34 1.25 1.23 1.21 1.18 1.16 1.13 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:y P:x P:x P:y P:y P:x P:y P:x P:x P:z P:x P:x P:z P:z P:x P:y P:x P:z P:y P:y P:y P:y P:x P:z P:y P:x P:x P:z P:x P:z P:y P:z P:y P:z P:z P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 65 55 64 21 57 62 31 59 56 78 33 30 60 67 67 56 23 22 28 60 76 75 26 57 81 25 48 25 62 28 50 74 23 47 59 76 22 53 80 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.759 2.00 1041 A 4.36 3.89 3.83 3.58 3.39 3.23 2.92 2.79 2.69 2.61 2.20 2.20 2.17 2.05 2.02 1.95 1.95 1.88 1.81 1.79 1.68 1.65 1.58 1.57 1.49 1.46 1.40 1.31 1.30 1.30 1.29 1.23 1.23 1.22 1.19 1.14 1.08 1.05 1.02 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:z P:x P:y P:y P:z P:x P:x P:x P:y P:z P:x P:y P:x P:x P:y P:y P:x P:x P:z P:x P:y P:x P:z P:y P:z P:x P:z P:y P:z P:z P:y P:y P:y P:z P:z P:z P:y P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 21 28 31 30 33 26 22 25 23 55 50 64 65 53 48 62 25 23 56 57 59 22 67 46 78 47 54 60 81 56 59 52 74 75 76 62 49 82 67 57 51 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.756 2.00 1042 A 3.07 2.84 2.82 2.63 2.57 2.38 2.37 2.34 2.26 2.26 2.24 2.22 2.13 2.11 2.11 2.10 2.06 1.96 1.88 1.87 1.68 1.68 1.63 1.60 1.57 1.56 1.55 1.53 1.53 1.49 1.27 1.26 1.21 1.19 1.18 1.17 1.09 1.08 1.06 1.04 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:z P:y P:z P:z P:y P:x P:z P:z P:z P:y P:x P:z P:y P:y P:z P:x P:z P:x P:x P:z P:y P:z P:x P:y P:z P:x P:y P:z P:x P:z P:z P:y P:z P:z P:z P:y P:y P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 43 78 71 60 81 29 53 30 69 37 66 40 76 50 72 25 26 67 59 62 64 27 69 61 33 65 40 31 63 72 28 63 48 32 32 28 64 27 33 48 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 O O O O O O O O O O -8.732 2.00 1043 A 6.35 5.49 5.27 4.72 4.03 2.76 2.56 2.48 2.47 2.13 2.08 2.04 1.91 1.91 1.85 1.84 1.84 1.81 1.62 1.61 1.61 1.55 1.55 1.44 1.35 1.27 1.21 1.19 1.14 1.07 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:z P:z P:z P:z P:y P:y P:y P:y P:z P:y P:x P:z P:y P:z P:x P:z P:x P:z P:y P:y P:y P:y P:x P:x P:y P:z P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 41 39 47 80 39 74 75 52 44 41 50 46 34 75 78 44 52 52 75 63 29 80 31 47 42 36 26 46 82 53 54 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.722 2.00 1044 A 11.37 8.69 5.97 2.70 2.59 2.52 2.45 2.41 2.16 1.97 1.93 1.92 1.68 1.64 1.55 1.54 1.20 1.20 1.17 1.11 1.08 1.05 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:y P:y P:z P:z P:z P:z P:y P:z P:y P:z P:x P:x P:x P:x P:x P:y P:x P:z P:z P:x P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 36 49 77 39 82 77 47 36 54 39 34 79 42 59 33 30 25 51 27 27 75 67 63 48 O O O O O O O O O O O O O O O O O O O O O O O O -8.716 2.00 1045 A 7.31 5.00 4.47 3.79 3.61 3.44 2.89 2.82 2.58 2.39 2.38 2.32 1.96 1.89 1.87 1.79 1.78 1.72 1.69 1.64 1.55 1.25 1.24 1.23 1.17 1.07 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 P:x P:y P:y P:z P:z P:y P:x P:z 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:x P:z P:y P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 42 44 79 51 74 46 34 44 82 41 32 54 52 80 66 60 46 74 41 80 62 81 34 51 54 33 64 79 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.708 2.00 1046 A 6.18 3.46 2.90 2.76 2.65 2.15 2.13 2.01 1.92 1.79 1.68 1.66 1.64 1.56 1.55 1.55 1.49 1.48 1.44 1.41 1.38 1.34 1.33 1.29 1.18 1.17 1.10 1.10 1.09 1.09 1.06 1.04 1.04 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x P:z P:z P:y P:z P:y P:z P:x P:y P:x P:x P:z P:x P:y P:y P:x P:z P:y P:z P:z P:y P:x P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 31 64 34 44 26 62 69 37 34 42 26 27 54 45 62 82 41 68 35 36 39 43 27 61 72 68 39 32 46 35 55 59 73 22 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.705 2.00 1047 A 3.92 3.59 3.12 3.07 2.72 2.52 2.38 2.31 2.24 2.02 1.91 1.86 1.84 1.76 1.74 1.67 1.66 1.62 1.58 1.55 1.34 1.23 1.21 1.18 1.18 1.17 1.16 1.13 1.04 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:x P:z P:x P:y P:z P:x P:z P:z P:z P:x P:y P:y P:x P:z P:x P:y P:y P:z P:z P:y P:z P:z P:x P:x P:y P:x P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 42 28 65 45 60 60 44 41 32 82 66 34 33 34 30 59 28 39 73 51 79 62 68 80 73 72 54 21 26 33 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.703 2.00 1048 A 4.93 4.82 4.51 3.62 3.41 3.13 2.69 2.65 2.33 2.15 2.06 1.87 1.83 1.80 1.71 1.61 1.47 1.45 1.28 1.27 1.25 1.22 1.19 1.19 1.18 1.13 1.07 1.06 1.06 1.06 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:y P:z P:y P:y P:z P:x P:y P:x P:z P:z P:y P:y P:z P:z P:z P:y P:y P:x P:y P:y P:y P:y P:z P:y P:x P:y P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 70 67 38 63 33 40 29 30 71 59 61 26 67 63 59 35 62 65 28 64 73 29 62 68 38 41 42 44 69 71 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.641 2.00 1049 A 3.88 3.85 3.83 3.49 3.42 3.08 2.99 2.82 2.70 2.64 2.57 2.46 2.42 2.36 2.00 1.78 1.75 1.64 1.63 1.57 1.50 1.49 1.49 1.46 1.30 1.30 1.23 1.21 1.19 1.13 1.08 1.06 1.03 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:y P:y P:y P:y P:x P:x P:x P:y P:y P:y P:x P:z P:z P:y P:z P:y P:x P:y P:y P:z P:x P:z P:y P:x P:y P:x P:y P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 31 30 64 44 65 33 42 25 41 34 39 60 67 59 36 62 28 41 56 42 22 26 62 39 26 36 59 60 28 26 21 28 57 67 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.638 2.00 1050 A 9.76 9.33 9.00 5.98 4.89 4.69 4.55 3.73 2.76 2.53 2.31 2.17 2.16 1.50 1.36 1.24 1.23 1.08 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:x P:x P:y P:y P:x P:z P:y P:y P:z P:x P:z 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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 57 22 56 58 24 56 22 56 23 57 23 60 23 65 68 25 69 35 O O O O O O O O O O O O O O O O O O -8.635 2.00 1051 A 10.85 8.90 5.48 3.26 3.11 2.47 2.03 2.02 2.00 1.80 1.77 1.77 1.62 1.53 1.51 1.51 1.50 1.46 1.45 1.45 1.43 1.39 1.26 1.19 1.18 1.13 1.11 1.07 1.04 1.02 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:x P:y P:z P:x P:y P:y P:z P:z P:z P:y P:y P:x P:x P:z P:y P:z P:y P:z P:z P:y P:y P:y P:z P:y P:z P:z P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 55 57 55 36 58 22 34 22 39 21 47 58 64 71 42 67 49 75 74 44 77 44 70 66 62 39 57 67 32 77 56 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.631 2.00 1052 A 5.18 5.00 4.92 3.81 3.41 3.16 2.75 2.60 2.54 2.26 1.99 1.59 1.57 1.53 1.41 1.40 1.37 1.33 1.30 1.29 1.28 1.28 1.21 1.12 1.03 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:z P:z P:z P:x P:z P:z P:z P:z P:y P:y P:y P:y P:x P:x P:x P:z P:z P:y P:x P:y P:z P:z P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 55 23 42 56 23 55 41 22 79 52 21 41 80 26 31 59 33 23 49 36 58 36 79 47 51 34 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 -8.628 2.00 1053 A 16.10 5.95 3.34 3.00 2.77 2.69 2.46 2.40 2.35 2.33 2.21 2.20 2.17 2.09 2.03 2.00 1.72 1.64 1.60 1.60 1.44 1.30 1.20 1.18 1.10 1.07 1.04 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:y P:y P:z P:x P:y P:x P:y P:z P:y P:x P:y P:y P:z P:z P:z P:x P:z P:z P:y P:z P:x P:z P:z P:z P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 21 23 24 44 30 28 21 34 34 23 46 41 22 54 82 74 24 33 40 54 29 28 21 44 57 38 25 39 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.514 2.00 1054 A 8.88 7.54 6.13 5.37 4.10 3.95 3.90 3.70 3.34 3.28 2.85 2.73 2.59 2.55 2.50 2.36 2.11 2.09 2.09 1.90 1.67 1.50 1.32 1.24 1.18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:y P:y P:y P:z P:x P:x P:z P:x P:y P:x P:y P:x P:z P:z P:x P:z P:z 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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 43 37 72 25 33 59 69 72 69 31 69 67 60 65 26 45 33 37 67 59 73 43 35 67 65 O O O O O O O O O O O O O O O O O O O O O O O O O -8.512 2.00 1055 A 12.72 10.94 6.22 5.37 4.77 3.69 3.18 3.13 2.98 2.94 2.58 2.35 2.11 2.08 2.04 2.02 1.75 1.51 1.35 1.31 1.30 1.11 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:x P:x P:x P:x P:y P:z P:z P:z P:y P:x P:y P:x P:x P:z P:y P:x P:y P:z P:y P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 40 71 30 64 62 28 38 70 43 28 72 37 60 31 71 26 62 65 69 64 65 69 37 O O O O O O O O O O O O O O O O O O O O O O O -8.412 2.00 1056 A 6.29 5.15 3.81 3.70 3.27 2.72 2.68 2.67 2.49 2.25 2.20 2.12 2.09 2.05 1.96 1.94 1.89 1.86 1.82 1.75 1.69 1.68 1.67 1.59 1.53 1.33 1.29 1.25 1.18 1.14 1.14 1.09 1.07 1.06 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:y P:y P:z P:y P:z P:z P:z P:z P:z P:z P:z P:x P:z P:z P:y P:z P:z P:z P:y P:y P:y P:y P:z P:z P:y 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 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -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 39 44 41 36 42 63 34 32 45 68 34 70 35 36 42 61 27 29 29 66 41 38 66 73 68 73 38 61 42 25 41 44 35 60 27 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.336 2.00 1057 A 4.71 4.65 3.51 3.47 3.24 3.02 2.98 2.98 2.95 2.85 2.58 2.43 2.43 2.40 2.38 2.30 2.15 2.11 1.98 1.88 1.77 1.77 1.76 1.71 1.69 1.64 1.51 1.49 1.47 1.46 1.43 1.40 1.33 1.33 1.17 1.15 1.09 1.08 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y P:y P:y P:x P:y P:y P:x P:x P:z P:x P:z P:z P:z P:z P:z P:y P:z P:z P:x P:y P:z P:z P:z P:x P:z P:x P:y P:y P:y P:z P:y P:y P:z P:y P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 43 45 36 72 73 42 31 33 25 37 65 68 44 35 59 32 61 27 68 66 73 72 60 67 69 36 69 26 67 69 34 66 42 61 27 34 59 32 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 O O O O O O O O -8.334 2.00 1058 A 6.38 5.76 5.60 4.73 4.67 4.54 3.82 3.09 3.08 2.68 2.44 2.41 2.33 2.28 2.27 1.74 1.69 1.45 1.40 1.26 1.21 1.20 1.19 1.15 1.14 1.13 1.13 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:y P:x P:x P:x P:x P:x P:z P:z P:x P:x P:z P:z P:y P:x P:y P:z P:y P:y P:z P:x P:z P:z P:z P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 40 70 71 38 30 39 64 44 62 63 38 28 41 28 29 29 34 62 41 63 60 26 37 68 43 34 41 45 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -4.261 0.00 1059 A 4.55 4.03 3.77 3.69 3.37 3.28 3.19 2.85 2.50 2.47 2.31 2.19 2.10 1.93 1.81 1.69 1.65 1.59 1.57 1.55 1.49 1.47 1.44 1.43 1.42 1.40 1.39 1.31 1.27 1.24 1.16 1.09 1.08 1.02 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 3 3 3 1 3 3 3 3 1 1 1 3 3 3 3 3 1 D:xz D:z2 D:z2 D:z2 D:xz D:xy D:z2 D:z2 D:xz D:yz D:z2 D:xz D:x2-y2 D:x2-y2 D:xy P:x P:x D:xy D:z2 D:yz P:y D:x2-y2 D:xy D:xz D:yz P:x P:y P:x D:x2-y2 D:xz D:xy D:yz D:z2 P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 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0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 17 15 6 6 4 16 8 15 9 29 8 7 7 8 63 8 6 63 13 17 18 13 15 4 17 17 29 18 W W W W W W W W W O W W W W O W W O W W W W W W W W O W -3.442 0.00 1062 A 10.43 7.30 5.85 5.35 4.20 3.93 3.16 2.54 2.52 2.38 2.30 1.73 1.68 1.55 1.34 1.32 1.25 1.24 1.09 1.01 3 3 3 3 3 3 3 1 3 3 3 1 3 3 3 1 3 3 3 1 D:yz D:xy D:yz D:x2-y2 D:z2 D:xz D:xy P:x D:xz D:xz D:z2 P:x D:xy D:xy D:z2 P:x D:x2-y2 D:z2 D:xz P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 5 10 14 14 19 14 5 37 19 12 20 69 3 19 11 44 5 6 4 43 W W W W W W W O W W W O W W W O W W W O -3.441 0.00 1063 A 11.92 7.04 6.50 6.03 4.25 2.65 1.88 1.85 1.85 1.85 1.69 1.59 1.54 1.46 1.40 1.40 1.20 1.02 3 3 3 3 3 1 1 3 3 3 3 3 3 3 3 3 1 3 D:x2-y2 D:xz D:xy D:z2 D:z2 P:y P:z D:xz D:z2 D:x2-y2 D:xy D:xz D:z2 D:xz D:z2 D:xy P:z D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 16 7 10 7 19 40 71 19 9 7 19 16 17 4 18 16 43 8 W W W W W O O W W W W W W W W W O W -3.053 0.00 1064 A 6.75 4.92 4.67 3.05 2.66 2.60 2.60 2.60 2.51 2.36 2.23 2.22 2.05 1.79 1.76 1.68 1.63 1.53 1.52 1.52 1.40 1.32 1.24 1.21 1.18 1.16 1.15 1.13 1.09 1.07 1.06 1.03 1.03 3 3 3 3 3 3 3 3 3 3 1 3 3 3 1 1 3 3 1 1 1 1 3 3 1 3 3 3 1 3 3 1 1 D:x2-y2 D:yz D:xz D:z2 D:yz D:z2 D:xz D:x2-y2 D:xy D:z2 P:z D:z2 D:xz D:xz P:y P:y D:z2 D:x2-y2 P:y P:z P:x P:z D:xy D:yz P:x D:xz D:x2-y2 D:x2-y2 P:z D:yz D:xy P:y P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 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1.99 1.92 1.83 1.69 1.51 1.46 1.43 1.42 1.33 1.33 1.23 1.22 1.22 1.20 1.09 1.03 3 3 1 3 3 3 1 3 1 3 3 3 3 3 3 3 1 1 1 1 3 1 1 3 3 3 3 3 1 D:xz D:xy P:z D:xz D:x2-y2 D:xy P:y D:z2 P:z D:z2 D:z2 D:x2-y2 D:xz D:xz D:xz D:x2-y2 P:z P:x P:y P:z D:xy P:y P:x D:xz D:yz D:xy D:z2 D:yz P:z -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 6 15 49 15 14 6 77 8 77 5 15 19 17 10 5 15 48 76 49 79 8 76 53 14 14 17 17 15 51 W W O W W W O W O W W W W W W W O O O O W O O W W W W W O -2.695 0.00 1068 A 9.38 7.78 5.03 4.77 4.32 4.29 3.97 3.68 3.48 3.40 3.02 2.32 2.28 2.21 2.19 2.17 2.16 1.61 1.58 1.56 1.25 1.14 1.11 1.06 3 3 3 1 3 3 3 3 1 3 3 1 1 3 1 1 3 1 1 3 3 1 3 3 D:z2 D:z2 D:yz P:z D:x2-y2 D:yz D:z2 D:z2 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0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 4 3 13 17 11 8 8 9 15 12 20 6 9 18 6 47 12 11 15 39 20 44 46 6 75 49 18 W W W W W W W W W W W W W W W O W W W O W O O W O O W -2.569 0.00 1073 A 4.93 4.20 4.12 3.65 3.15 2.93 2.82 2.66 2.37 2.37 2.15 1.99 1.92 1.84 1.84 1.78 1.75 1.69 1.58 1.53 1.42 1.42 1.37 1.33 1.12 1.07 1.01 3 3 3 3 3 3 3 3 3 3 3 1 1 3 3 3 1 1 1 3 3 1 1 3 1 3 1 D:xz D:z2 D:z2 D:xz D:xy D:z2 D:xy D:z2 D:z2 D:x2-y2 D:xy P:z P:z D:x2-y2 D:xz D:xz P:z P:z P:y D:yz D:z2 P:y P:z D:x2-y2 P:y D:xy P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 6 8 3 17 17 12 15 4 13 19 8 79 49 13 8 15 74 51 79 12 17 46 47 3 77 6 75 W W W W W W W W W W W O O W W W O O O W W O O W O W O -2.560 0.00 1074 A 5.86 4.32 3.37 3.29 3.09 2.94 2.91 2.83 2.55 2.55 2.54 2.17 1.97 1.75 1.72 1.61 1.56 1.55 1.42 1.34 1.33 1.32 1.30 1.15 1.01 3 3 3 3 3 3 1 3 1 3 3 3 1 1 3 3 3 3 1 1 3 3 1 3 1 D:xz D:xy D:x2-y2 D:z2 D:z2 D:xz P:z D:xz P:y D:z2 D:z2 D:xz P:z P:z D:x2-y2 D:z2 D:xy D:yz P:z P:y D:x2-y2 D:yz P:y D:z2 P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 20 11 9 18 12 11 82 9 54 13 3 18 52 80 11 4 18 20 74 80 20 9 46 17 54 W W W W W W O W O W W W O O W W W W O O W W O W O -2.417 0.00 1075 A 6.49 4.81 4.41 4.32 2.88 2.82 2.55 2.47 2.22 2.10 1.74 1.66 1.59 1.40 1.34 1.33 1.25 1.19 1.11 1.11 1.03 1.03 3 3 3 3 1 3 3 1 1 3 1 3 3 3 3 3 3 1 3 3 3 1 D:yz D:yz D:yz D:yz P:z D:xz D:xz P:y P:z D:z2 P:y D:xy D:xz D:x2-y2 D:xz D:yz D:xz P:z D:x2-y2 D:z2 D:x2-y2 P:y -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 10 7 16 19 81 6 19 53 50 5 78 15 14 14 5 4 16 48 20 3 11 76 W W W W O W W O O W O W W W W W W O W W W O -2.412 0.00 1076 A 3.95 3.90 3.63 3.38 2.88 2.67 2.46 2.08 1.86 1.84 1.81 1.76 1.70 1.63 1.60 1.59 1.55 1.51 1.37 1.34 1.18 1.18 1.18 1.17 1.10 1.06 1.04 1.00 3 3 3 3 3 3 3 3 3 3 1 3 3 3 3 3 3 1 1 3 1 3 1 3 3 3 1 3 D:yz D:x2-y2 D:xy D:x2-y2 D:z2 D:xz D:z2 D:yz D:xz D:xy P:x D:x2-y2 D:z2 D:z2 D:x2-y2 D:z2 D:xy P:x P:x D:x2-y2 P:x D:z2 P:y D:yz D:x2-y2 D:xz P:x D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 5 19 7 14 8 10 14 16 13 12 76 5 11 16 9 5 18 53 50 12 81 10 48 7 3 4 74 16 W W W W W W W W W W O W W W W W W O O W O W O W W W O W -2.409 0.00 1077 A 2.79 2.78 2.74 2.40 2.17 2.15 1.99 1.91 1.82 1.77 1.73 1.71 1.69 1.69 1.63 1.47 1.42 1.35 1.35 1.31 1.25 1.23 1.23 1.22 1.15 1.14 1.08 1.05 1.03 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 1 3 3 3 1 3 1 3 D:z2 D:xy D:xz D:x2-y2 D:xy D:z2 D:yz D:z2 D:xy D:xz D:z2 D:yz D:x2-y2 D:z2 D:x2-y2 D:z2 D:xy D:xz D:yz D:z2 P:z D:z2 P:z D:xz D:xz D:xy P:y D:xz P:z D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 15 10 3 8 5 18 14 7 4 12 9 7 16 19 17 11 11 4 12 6 45 20 70 13 9 13 40 7 68 20 W W W W W W W W W W W W W W W W W W W W O W O W W W O W O W -2.366 0.00 1078 A 6.17 5.53 3.64 3.41 2.77 2.75 2.67 2.56 2.43 2.02 1.96 1.95 1.93 1.75 1.64 1.61 1.54 1.53 1.33 1.21 1.20 1.19 1.18 1.17 1.16 1.14 1.04 3 3 3 3 3 1 3 1 3 3 3 3 1 1 1 1 3 3 3 1 3 3 3 1 3 3 3 D:xy D:x2-y2 D:xy D:xz D:z2 P:x D:xz P:x D:z2 D:x2-y2 D:yz D:z2 P:y P:y P:x P:x D:xz D:xz D:z2 P:z D:z2 D:x2-y2 D:z2 P:z D:z2 D:xy D:z2 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 7 19 5 16 14 50 10 78 16 14 10 5 48 76 53 81 5 14 10 76 15 16 13 48 11 14 3 W W W W W O W O W W W W O O O O W W W O W W W O W W W -2.317 0.00 1079 A 6.40 3.92 3.64 3.56 2.88 2.70 2.18 2.14 2.07 1.88 1.63 1.60 1.58 1.53 1.47 1.29 1.27 1.18 1.18 1.16 1.15 1.08 1.05 1.04 1.02 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 3 3 1 3 1 3 3 1 D:z2 D:xy D:xy D:x2-y2 D:z2 D:z2 D:x2-y2 D:xz D:z2 D:x2-y2 D:xy D:xy D:x2-y2 D:z2 D:xy P:x P:x D:xz D:z2 P:y D:xz P:x D:yz D:xy P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 9 3 4 14 15 20 16 13 11 8 8 20 6 13 6 46 47 7 17 51 20 35 20 9 70 W W W W W W W W W W W W W W W O O W W O W O W W O -2.312 0.00 1080 A 4.48 4.25 3.47 3.25 2.88 2.54 1.93 1.93 1.72 1.71 1.71 1.67 1.66 1.64 1.57 1.52 1.49 1.39 1.37 1.35 1.27 1.26 1.25 1.24 1.23 1.17 1.11 1.11 1.07 1.02 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 3 1 3 3 3 3 3 1 3 1 3 1 D:xz D:xy D:xy D:z2 D:x2-y2 D:x2-y2 D:xy D:xz D:xz D:x2-y2 D:yz D:x2-y2 D:yz D:yz D:xz D:z2 P:x P:z D:z2 P:z D:xy D:x2-y2 D:xz D:xy D:xy P:z D:xz P:y D:xy P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 3 10 13 17 20 18 3 19 11 13 8 12 6 9 17 19 30 32 6 45 19 17 4 12 6 54 15 73 5 80 W W W W W W W W W W W W W W W W O O W O W W W W W O W O W O -2.304 0.00 1081 A 8.86 8.14 4.35 3.52 3.32 2.88 2.20 2.05 1.77 1.74 1.74 1.56 1.42 1.37 1.22 1.15 1.12 1.09 1.07 1.07 1.07 1.06 1.03 3 3 3 3 3 3 1 3 3 1 3 1 3 3 3 3 1 3 1 3 3 3 1 D:xz D:xz D:z2 D:x2-y2 D:xy D:xy P:x D:yz D:xz P:x D:xz P:x D:x2-y2 D:xy D:yz D:z2 P:x D:x2-y2 P:z D:x2-y2 D:xz D:xz P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 12 4 17 8 3 13 44 12 15 39 7 31 14 7 17 18 64 15 70 5 8 19 42 W W W W W W O W W O W O W W W W O W O W W W O -2.299 0.00 1082 A 4.68 2.79 2.69 2.67 2.58 2.54 2.53 2.45 2.15 2.08 1.98 1.94 1.93 1.91 1.90 1.82 1.79 1.73 1.57 1.39 1.38 1.36 1.34 1.31 1.20 1.20 1.17 1.07 1.05 1.03 1.02 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 3 3 1 1 3 1 3 1 D:x2-y2 D:x2-y2 D:z2 D:xz D:x2-y2 D:xy D:z2 D:x2-y2 D:x2-y2 D:xz D:xy D:yz D:z2 D:yz D:z2 D:z2 D:yz D:xz D:xy D:xy D:x2-y2 P:y P:z D:xz D:x2-y2 P:y P:y D:xy P:z D:xz P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 18 11 11 15 15 6 9 8 16 11 10 20 6 6 20 15 11 4 20 13 9 36 45 18 20 38 73 18 28 19 60 W W W W W W W W W W W W W W W W W W W W W O O W W O O W O W O -2.236 0.00 1083 A 5.48 4.62 4.42 3.06 2.67 2.52 2.37 2.26 1.86 1.79 1.70 1.68 1.58 1.52 1.46 1.45 1.44 1.43 1.34 1.30 1.25 1.21 1.13 1.11 1.09 1.07 1.01 3 3 3 3 3 3 3 1 3 1 1 1 3 3 1 3 3 3 3 3 3 3 3 1 3 3 3 D:xy D:x2-y2 D:yz D:yz D:z2 D:xz D:x2-y2 P:y D:z2 P:x P:z P:z D:xy D:z2 P:y D:xz D:z2 D:xz D:xz D:xz D:xz D:z2 D:z2 P:x D:xy D:x2-y2 D:z2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 10 16 5 14 19 7 14 40 7 37 43 71 19 20 72 12 11 4 19 14 13 6 18 69 5 7 15 W W W W W W W O W O O O W W O W W W W W W W W O W W W -2.192 0.00 1084 A 4.25 4.21 3.83 3.35 3.27 3.11 2.92 2.86 2.73 2.40 2.19 2.12 2.02 1.95 1.52 1.45 1.26 1.23 1.19 1.17 1.13 1.10 1.08 1.07 1.01 1.00 3 3 3 3 3 1 3 1 3 1 1 3 3 3 3 3 3 3 3 1 3 3 3 3 3 3 D:x2-y2 D:xy D:x2-y2 D:xy D:xz P:x D:xy P:x D:xz P:x P:x D:xz D:x2-y2 D:xy D:yz D:xz D:z2 D:yz D:xy P:x D:x2-y2 D:x2-y2 D:z2 D:xy D:yz D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 17 13 12 4 13 74 12 75 4 46 47 3 3 3 8 12 18 5 15 68 9 14 6 9 6 20 W W W W W O W O W O O W W W W W W W W O W W W W W W -2.185 0.00 1085 A 4.38 3.98 3.96 3.59 3.49 3.04 2.41 1.90 1.70 1.67 1.65 1.63 1.59 1.51 1.44 1.42 1.42 1.40 1.30 1.26 1.23 1.20 1.20 1.13 1.12 1.11 1.10 1.07 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 3 3 1 1 3 3 3 1 3 1 1 3 D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:x2-y2 D:x2-y2 D:z2 D:xy D:xy D:x2-y2 D:xz D:xz P:y 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0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 4 3 13 12 8 46 12 47 44 39 75 14 5 74 6 17 51 13 17 18 8 9 W W W W W O W O O O O W W O W W O W W W W W -2.139 0.00 1087 A 5.28 4.87 4.36 3.40 3.16 3.09 2.62 2.33 2.30 2.08 2.02 1.90 1.54 1.38 1.38 1.37 1.32 1.27 1.09 1.06 1.05 1.04 1.03 1.03 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 3 3 3 1 3 3 3 1 3 D:z2 D:z2 D:x2-y2 D:xy D:z2 D:x2-y2 D:yz D:x2-y2 D:yz D:z2 D:xz D:xy D:xy P:y D:x2-y2 D:yz D:xy D:yz P:z D:yz D:yz D:z2 P:y D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 15 11 20 6 18 17 8 9 18 8 20 11 9 49 6 9 15 10 73 16 7 20 36 18 W W W W W W W W W W W W W O W W W W O W W W O W -2.024 0.00 1088 A 3.02 2.98 2.62 2.54 2.17 1.98 1.94 1.83 1.69 1.64 1.58 1.46 1.42 1.40 1.36 1.36 1.29 1.22 1.20 1.12 1.12 1.05 1.03 1.02 1.02 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 3 3 3 3 3 1 3 1 3 3 D:yz D:yz D:xz D:yz D:z2 D:xz D:yz D:z2 D:z2 D:yz D:z2 D:z2 D:xy D:x2-y2 P:z D:yz D:xy D:xz D:xz D:xy D:x2-y2 P:y D:xy P:x D:xz D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 19 7 6 10 3 17 16 13 8 4 12 4 11 14 81 12 8 19 20 15 13 78 18 76 9 14 W W W W W W W W W W W W W W O W W W W W W O W O W W -1.958 0.00 1089 A 5.07 3.40 2.90 2.89 2.86 2.66 2.30 2.18 2.10 2.04 2.00 1.75 1.61 1.61 1.57 1.37 1.36 1.34 1.32 1.25 1.16 1.13 1.11 1.09 1.07 1.04 1.03 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 3 3 3 1 1 1 1 1 D:x2-y2 D:xz D:z2 D:xz D:z2 D:yz D:z2 D:yz D:z2 D:yz D:xz D:x2-y2 D:xy D:z2 D:yz D:z2 P:x P:x P:x D:z2 D:x2-y2 D:yz P:z P:x 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1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 10 19 7 16 81 14 53 5 4 13 16 3 12 31 19 50 65 64 78 6 7 17 30 14 10 48 19 15 W W W W O W O W W W W W W O W O O O O W W W O W W O W W -1.754 0.00 1092 A 5.42 4.01 3.12 2.90 2.52 2.47 2.38 2.25 1.90 1.61 1.40 1.38 1.38 1.35 1.34 1.28 1.24 1.24 1.22 1.16 1.13 1.11 1.04 1.01 3 3 3 3 3 3 3 3 3 1 3 3 1 3 1 3 1 1 1 3 3 3 3 3 D:x2-y2 D:yz D:yz D:xz D:yz D:z2 D:xy D:x2-y2 D:yz P:y D:z2 D:x2-y2 P:x D:yz P:x D:z2 P:x P:z P:y D:xz D:xy D:z2 D:xz D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 19 16 7 10 5 14 7 5 14 78 10 14 53 10 76 5 81 50 48 18 14 16 9 17 W W W W W W W W W O W W O W O W O O O W W W W W -1.744 0.00 1093 A 5.86 3.82 3.77 3.61 3.14 2.51 2.21 2.14 1.98 1.86 1.85 1.84 1.80 1.48 1.47 1.44 1.41 1.27 1.22 1.19 1.08 1.06 1.05 1.04 1.02 3 3 3 3 3 3 3 1 3 1 3 1 3 3 3 1 3 3 1 3 3 1 1 1 3 D:xy D:xy D:x2-y2 D:z2 D:xz D:z2 D:xz P:x D:z2 P:x D:x2-y2 P:y D:xz D:xz D:xz P:y D:xz D:xy P:z D:x2-y2 D:xy P:x P:x P:y D:z2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 7 5 19 14 16 16 10 50 5 78 14 48 20 14 5 76 6 14 76 9 15 53 28 26 10 W W W W W W W O W O W O W W W O W W O W W O O O W -1.565 0.00 1094 A 6.31 4.91 4.07 2.60 2.50 2.13 2.08 1.88 1.71 1.67 1.66 1.62 1.46 1.46 1.34 1.33 1.29 1.24 1.22 1.21 1.20 1.06 3 3 3 3 3 1 3 3 3 1 3 3 1 3 3 3 3 3 3 3 3 3 D:xy D:x2-y2 D:x2-y2 D:xz D:xz P:x D:xy D:x2-y2 D:xz P:x D:yz D:z2 P:y D:xy D:xy D:yz D:z2 D:xz D:x2-y2 D:xz D:yz D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 10 14 16 7 19 37 19 5 3 69 5 15 40 5 16 14 19 10 7 13 7 7 W W W W W O W W W O W W O W W W W W W W W W -1.552 0.00 1095 A 5.10 3.76 3.15 2.76 2.74 2.54 2.51 2.47 2.02 2.00 1.93 1.74 1.71 1.68 1.65 1.56 1.54 1.53 1.51 1.42 1.41 1.31 1.23 1.07 1.05 1.00 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 3 3 3 1 3 1 3 1 3 3 D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:xz D:z2 D:z2 D:x2-y2 D:z2 D:xy D:z2 D:xz D:yz P:y D:xz D:xz D:x2-y2 D:z2 P:y D:x2-y2 P:x D:x2-y2 P:x D:yz D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 17 8 15 17 6 6 15 11 6 18 11 20 20 6 42 15 19 5 9 36 8 34 14 36 5 10 W W W W W W W W W W W W W W O W W W W O W O W O W W -1.546 0.00 1096 A 5.00 4.18 3.95 3.89 3.66 3.63 3.11 2.46 2.33 2.27 2.24 2.05 1.88 1.82 1.57 1.51 1.44 1.19 1.14 1.10 1.09 1.08 1.08 3 3 3 3 3 3 3 1 3 3 1 3 3 3 3 3 3 1 3 1 3 3 1 D:xz D:z2 D:xz D:xz D:z2 D:xz D:xy P:x D:x2-y2 D:xy P:x D:z2 D:x2-y2 D:z2 D:xy D:xy D:xy P:z D:xy P:y D:xz D:xz P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 4 9 12 13 18 3 3 39 13 4 44 20 16 11 12 13 11 70 9 41 20 7 31 W W W W W W W O W W O W W W W W W O W O W W O -1.314 0.00 1097 A 5.28 4.52 4.30 2.97 2.12 2.00 1.83 1.80 1.70 1.67 1.60 1.52 1.51 1.50 1.49 1.46 1.44 1.44 1.43 1.25 1.22 1.20 1.13 1.11 1.11 1.09 1.04 1.02 1.02 3 3 3 3 1 3 3 3 3 3 3 3 3 3 1 3 3 1 3 1 3 1 3 3 3 1 1 3 3 D:x2-y2 D:xy D:xz D:xy P:x D:z2 D:xz D:yz D:xz D:yz D:z2 D:xy D:x2-y2 D:yz P:y D:xy D:x2-y2 P:x D:yz P:x D:xz P:x D:xy D:yz D:x2-y2 P:y P:z D:xz D:z2 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 9 8 13 15 35 8 3 5 9 15 15 6 8 9 51 4 20 61 8 75 11 52 13 20 4 77 73 16 19 W W W W O W W W W W W W W W O W W O W O W O W W W O O W W -1.309 0.00 1098 A 6.92 4.30 4.16 3.46 3.11 2.68 2.62 2.57 2.51 2.39 1.96 1.83 1.53 1.40 1.38 1.25 1.22 1.18 1.15 1.13 1.11 1.11 1.08 1.05 1.04 1.01 1.01 3 3 3 1 3 3 3 1 3 3 3 1 3 1 1 3 3 3 1 3 3 3 1 3 1 3 1 D:xy D:x2-y2 D:xz P:x D:xy D:x2-y2 D:x2-y2 P:y D:yz D:xy D:xz P:x D:z2 P:y P:x D:xz D:yz D:x2-y2 P:y D:x2-y2 D:xy D:yz P:y D:xz P:z D:xy P:z -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 6 11 13 27 13 6 8 49 11 8 6 75 15 51 35 12 6 12 54 18 15 8 63 15 73 4 54 W W W O W W W O W W W O W O O W W W O W W W O W O W O -1.303 0.00 1099 A 7.33 4.69 3.17 3.02 2.76 2.76 2.72 2.59 2.57 2.53 2.02 1.81 1.70 1.51 1.33 1.28 1.28 1.26 1.22 1.18 1.01 3 3 3 3 3 1 3 3 3 3 3 1 1 1 3 3 1 3 3 3 3 D:xy D:xy D:xy D:x2-y2 D:x2-y2 P:x D:xy D:xz D:x2-y2 D:x2-y2 D:xy P:y P:x P:x D:xz D:xy P:z D:x2-y2 D:x2-y2 D:xy D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 12 4 17 20 12 74 13 12 17 9 6 70 47 66 4 7 66 16 6 5 14 W W W W W O W W W W W O O O W W O W W W W -1.300 0.00 1100 A 11.55 7.69 4.08 3.89 3.87 3.72 2.63 2.29 2.26 2.14 1.95 1.85 1.66 1.61 1.50 1.37 1.36 1.31 1.18 1.15 1.11 1.11 1.06 1.02 3 3 1 3 1 3 3 1 1 3 3 3 3 1 3 1 3 3 3 3 1 3 1 3 D:x2-y2 D:x2-y2 P:x D:x2-y2 P:x D:xy D:yz P:x P:y D:xz D:yz D:xz D:z2 P:y D:xz P:y D:xy D:xy D:z2 D:xy P:y D:yz P:z D:xz -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 18 20 68 17 61 15 18 80 63 15 20 17 18 82 13 80 20 13 17 17 77 10 79 20 W W O W O W W O O W W W W O W O W W W W O W O W -1.290 0.00 1101 A 7.23 5.94 5.18 4.28 3.81 3.39 2.72 2.48 2.41 2.33 1.94 1.66 1.65 1.54 1.42 1.39 1.36 1.32 1.26 1.22 1.19 1.16 1.12 1.11 1.10 1.08 3 3 3 3 1 3 1 3 3 3 1 1 3 1 3 3 1 3 3 3 3 1 3 1 3 3 D:xz D:xy D:xy D:xz P:x D:x2-y2 P:x D:xy D:yz D:x2-y2 P:x P:z D:yz P:y D:z2 D:xz P:y D:yz D:x2-y2 D:x2-y2 D:z2 P:z D:xy P:z D:x2-y2 D:z2 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 3 4 3 4 46 9 47 12 11 11 32 38 9 38 11 11 29 3 3 20 8 54 8 29 19 9 W W W W O W O W W W O O W O W W O W W W W O W O W W -1.182 0.00 1102 A 4.56 4.13 3.33 3.20 3.13 1.98 1.80 1.54 1.50 1.37 1.36 1.31 1.28 1.27 1.25 1.24 1.21 1.21 1.19 1.17 1.16 1.15 1.07 1.07 1.05 1.03 1.01 1.00 3 3 3 3 3 3 3 3 3 1 1 3 1 3 3 3 1 1 3 3 1 1 1 3 3 3 3 3 D:x2-y2 D:yz D:xy D:xz D:yz D:xz D:x2-y2 D:yz D:z2 P:y P:y D:xy P:x D:x2-y2 D:yz D:xz P:z P:y D:x2-y2 D:x2-y2 P:z P:z P:x D:z2 D:z2 D:x2-y2 D:z2 D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 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0.80 0.80 1.33 0.80 1.33 1.33 14 7 5 5 19 10 4 14 16 19 3 48 72 16 76 50 7 16 9 40 14 5 59 13 76 71 W W W W W W W W W W W O O W O O W W W O W W O W O O -1.149 0.00 1104 A 4.02 3.48 3.06 2.65 2.48 2.40 2.36 2.14 1.96 1.87 1.87 1.63 1.57 1.51 1.47 1.38 1.32 1.22 1.20 1.18 1.17 1.10 1.10 1.09 1.06 1.05 1.03 1.01 3 3 3 3 3 3 3 1 3 3 3 3 1 3 3 3 3 3 3 3 1 3 3 3 3 1 3 1 D:xz D:xz D:z2 D:z2 D:xy D:z2 D:xy P:x D:yz D:z2 D:yz D:yz P:x D:x2-y2 D:z2 D:xz D:xy D:yz D:xy D:x2-y2 P:x D:x2-y2 D:xz D:z2 D:yz P:x D:z2 P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 6 17 13 15 17 3 15 42 12 4 4 10 36 8 8 8 6 19 8 3 33 14 14 5 7 59 12 49 W W W W W W W O W W W W O W W W W W W W O W W W W O W O -1.142 0.00 1105 A 3.07 2.52 2.43 2.27 2.24 2.12 1.96 1.94 1.86 1.79 1.60 1.60 1.56 1.53 1.39 1.30 1.19 1.11 1.09 1.09 1.08 1.07 1.04 3 3 3 3 3 3 3 3 3 3 1 3 3 3 3 3 3 3 3 3 3 3 3 D:z2 D:z2 D:yz D:xy D:xz D:x2-y2 D:z2 D:yz D:yz D:xz P:x D:z2 D:x2-y2 D:z2 D:z2 D:yz D:xz D:xz D:yz D:xy D:yz D:x2-y2 D:z2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 3 13 16 18 18 9 11 12 20 9 41 12 20 4 8 7 10 20 10 11 4 19 15 W W W W W W W W W W O W W W W W W W W W W W W -1.125 0.00 1106 A 2.89 2.70 2.28 2.22 2.20 2.19 2.14 2.05 2.05 1.91 1.59 1.59 1.57 1.52 1.50 1.39 1.36 1.32 1.30 1.16 1.14 1.09 1.03 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 3 3 3 3 1 D:x2-y2 D:z2 D:xz D:xy D:xy D:yz D:xz D:z2 D:z2 D:xz D:xz D:xz D:yz D:xy D:xz D:z2 D:xy P:x D:yz D:xz D:z2 D:x2-y2 D:x2-y2 P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 9 18 6 7 11 20 20 3 13 16 9 11 9 18 18 8 5 41 4 17 16 19 20 34 W W W W W W W W W W W W W W W W W O W W W W W O -1.108 0.00 1107 A 6.48 4.79 3.83 3.46 2.98 2.35 2.31 1.79 1.76 1.69 1.56 1.48 1.39 1.27 1.27 1.26 1.22 1.10 1.08 1.08 1.07 1.01 3 3 3 3 3 3 3 3 1 1 3 3 3 1 1 3 1 3 3 3 3 3 D:yz D:yz D:yz D:yz D:yz D:x2-y2 D:yz D:x2-y2 P:y P:z D:z2 D:z2 D:xz P:z P:y D:z2 P:x D:xz D:z2 D:x2-y2 D:x2-y2 D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 16 19 10 7 5 14 14 5 78 81 14 5 10 72 71 19 76 14 7 18 20 17 W W W W W W W W O O W W W O O W O W W W W W -1.063 0.00 1108 A 4.09 3.06 2.85 2.27 2.16 2.08 2.05 1.93 1.82 1.80 1.79 1.63 1.62 1.59 1.38 1.36 1.29 1.25 1.20 1.14 1.13 1.13 1.11 1.11 1.10 1.08 1.07 1.04 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 3 3 3 3 1 3 1 1 3 3 1 D:xy D:x2-y2 D:xz D:xy D:yz D:x2-y2 D:yz D:xy D:xz D:x2-y2 D:xy D:xy D:yz D:yz D:xz P:y D:x2-y2 D:x2-y2 D:yz D:xz D:x2-y2 P:z D:xy P:y P:z D:z2 D:yz P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 3 11 4 17 6 18 11 8 12 9 12 13 5 20 18 38 8 20 14 8 15 29 6 63 66 9 15 32 W W W W W W W W W W W W W W W O W W W W W O W O O W W O -1.049 0.00 1109 A 3.49 2.61 2.59 2.31 2.28 2.11 1.89 1.86 1.78 1.65 1.60 1.56 1.51 1.47 1.39 1.27 1.24 1.19 1.18 1.13 1.09 1.07 1.02 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 D:x2-y2 D:yz D:xz D:z2 D:yz D:x2-y2 D:xy D:x2-y2 D:xy D:xz D:x2-y2 D:z2 D:yz D:xy D:z2 D:xz D:xz D:z2 D:xy D:x2-y2 D:xz D:xz D:xz D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 5 7 10 17 10 18 3 14 19 12 13 5 16 8 9 19 4 12 7 15 15 11 20 6 W W W W W W W W W W W W W W W W W W W W W W W W -0.855 0.00 1110 A 4.60 4.15 3.32 2.41 2.29 2.13 2.06 1.95 1.91 1.89 1.80 1.76 1.67 1.63 1.61 1.36 1.35 1.26 1.24 1.19 1.17 1.14 1.13 1.13 1.11 1.10 1.06 1.05 1.02 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 3 1 3 1 1 1 3 3 3 3 D:x2-y2 D:xz D:z2 D:yz D:xz D:z2 D:yz D:z2 D:z2 D:z2 D:x2-y2 D:xy D:z2 D:z2 D:xz D:xy D:yz P:x P:x D:z2 P:x D:xz P:x P:x P:x D:z2 D:xz D:xz D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 19 10 5 16 6 3 7 13 12 4 14 15 8 10 17 17 10 42 59 15 53 19 36 33 25 7 14 8 8 W W W W W W W W W W W W W W W W W O O W O W O O O W W W W -0.849 0.00 1111 A 4.85 4.28 3.20 2.40 2.35 2.04 1.79 1.76 1.56 1.54 1.42 1.39 1.35 1.34 1.31 1.30 1.29 1.28 1.24 1.15 1.15 1.10 1.09 1.08 1.07 1.05 1.05 1.03 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 3 3 3 3 1 3 1 3 1 1 3 1 D:xy D:z2 D:xz D:yz D:xz D:z2 D:x2-y2 D:xy D:xz D:yz D:xy D:xz D:z2 D:yz P:y P:x D:xz D:x2-y2 D:x2-y2 D:z2 P:y D:z2 P:x D:yz P:x P:x D:xz P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 0.80 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W W W W W W -0.182 0.00 1113 A 2.76 2.66 2.44 2.19 2.04 1.84 1.80 1.72 1.61 1.57 1.36 1.28 1.28 1.27 1.23 1.23 1.03 1.02 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 D:z2 D:z2 D:xz D:yz D:xz D:yz D:yz D:z2 D:x2-y2 D:yz D:z2 D:xy D:xy D:yz D:xy S D:yz D:yz P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -15.778 -4.382 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 0.80 0.80 1.33 10 16 5 17 14 9 18 19 7 8 7 19 14 15 5 2 4 13 50 W W W W W W W W W W W W W W W P W W O -0.012 0.00 1114 A 5.79 4.05 3.19 2.79 2.07 1.94 1.88 1.87 1.69 1.58 1.39 1.38 1.28 1.27 1.18 1.16 1.11 1.09 1.05 1.05 1.04 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 1 D:x2-y2 D:xy D:xz D:xz D:z2 D:z2 D:x2-y2 D:xz D:x2-y2 D:yz D:x2-y2 D:yz D:yz D:yz D:xz D:z2 D:yz D:yz S D:z2 P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 3.073 -4.382 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.80 1.33 10 14 5 19 6 16 15 8 19 7 17 19 3 17 15 14 4 15 184 7 71 W W W W W W W W W W W W W W W W W W H W O -0.003 0.00 1115 A 6.69 3.70 2.92 2.90 2.68 2.34 2.12 2.11 2.07 1.98 1.94 1.91 1.75 1.60 1.55 1.47 1.43 1.35 1.33 1.30 1.23 1.22 1.19 1.19 1.14 1.08 1.00 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 D:xy D:xz D:xy D:xz D:yz D:yz D:yz D:x2-y2 D:z2 D:yz D:yz D:z2 D:z2 D:yz D:z2 D:yz D:xy D:yz D:yz D:yz D:x2-y2 D:x2-y2 D:z2 D:x2-y2 D:z2 D:yz P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -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 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 16 7 5 14 18 13 11 7 7 19 3 10 20 4 19 9 9 12 14 20 16 10 4 5 5 16 72 W W W W W W W W W W W W W W W W W W W W W W W W W W O 0.024 0.00 1116 A 2.74 2.59 2.34 1.86 1.81 1.71 1.68 1.59 1.45 1.44 1.39 1.34 1.30 1.29 1.26 1.25 1.16 1.10 1.09 -1.04 1.03 1.03 1.00 3 3 2 2 3 3 2 2 7 2 3 7 2 3 2 7 7 2 1 2 3 2 3 D:x2-y2 D:yz S S D:yz D:xy S S S S D:yz S S D:xz S S S S S S D:yz S D:xz -4.382 -4.382 3.073 3.073 -4.382 -4.382 3.073 3.073 1.678 3.073 -4.382 1.678 3.073 -4.382 3.073 1.678 1.678 3.073 -6.581 3.073 -4.382 3.073 -4.382 0.80 0.80 0.00 0.00 0.80 0.80 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 1.00 0.00 0.80 0.00 0.80 12 17 184 165 8 20 159 131 13 158 15 20 182 18 162 4 9 136 184 160 6 176 11 W W H H W W H H W H W W H W H W W H H H W H W 0.097 0.00 1117 A 3.42 3.03 2.74 2.71 2.60 2.45 2.33 2.24 2.06 1.45 1.43 1.41 1.38 1.31 1.27 1.24 1.21 1.19 1.17 1.13 1.07 1.02 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 3 1 3 D:x2-y2 D:xy D:xz D:x2-y2 D:x2-y2 D:xy D:xy D:x2-y2 D:xy D:xz D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:yz D:z2 D:xz P:x D:xz P:y D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 4 9 11 12 3 6 20 8 11 15 18 17 6 13 4 8 3 18 27 8 29 17 W W W W W W W W W W W W W W W W W W O W O W 0.148 0.00 1118 A 6.39 4.54 4.22 -4.19 3.76 3.69 3.65 3.43 3.27 -2.99 2.94 2.77 2.63 -2.59 -2.57 2.33 2.30 2.15 2.07 -2.03 1.95 1.94 -1.90 1.89 1.87 1.84 1.76 1.70 1.70 1.69 1.68 -1.67 -1.59 -1.48 -1.47 1.46 1.44 -1.43 1.43 -1.38 1.36 1.35 1.33 -1.32 1.29 1.29 -1.25 -1.24 -1.22 1.22 1.20 1.20 1.17 1.15 1.15 1.14 1.08 1.07 -1.01 2 2 2 2 2 2 7 2 1 2 7 2 2 2 2 2 1 2 6 1 1 2 2 1 6 2 1 1 2 7 7 2 2 2 2 2 2 2 1 1 2 2 1 3 2 7 1 2 1 2 2 1 2 1 7 7 6 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 3.073 3.073 3.073 3.073 3.073 3.073 1.678 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 -6.581 3.073 3.073 -6.581 -6.463 3.073 -6.581 -6.581 3.073 1.678 1.678 3.073 3.073 3.073 3.073 3.073 3.073 3.073 -6.581 -6.581 3.073 3.073 -6.581 11.266 3.073 1.678 -6.581 3.073 -6.581 3.073 3.073 -6.581 3.073 -6.581 1.678 1.678 -6.463 3.073 11.266 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 1.00 0.00 0.00 1.00 2.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 2.00 0.00 0.00 184 182 131 183 159 136 9 117 184 160 15 165 150 116 133 176 182 120 9 183 131 158 122 159 15 179 136 117 181 18 6 177 121 149 155 134 118 128 150 160 178 124 165 112 135 20 133 166 116 173 127 176 130 120 7 8 6 154 96 H H H H H H W H H H W H H H H H H H W H H H H H W H H H H W W H H H H H H H H H H H H C H W H H H H H H H H W W W H C 0.232 0.00 1119 A 2.37 2.30 2.25 2.22 -2.16 2.02 -1.97 1.95 -1.81 1.81 -1.71 1.65 1.64 1.64 1.62 1.62 1.57 -1.56 1.55 1.51 1.45 1.44 1.43 1.42 1.39 1.38 1.38 -1.33 1.27 1.23 1.22 1.19 1.17 1.14 1.13 1.12 1.11 1.09 1.07 1.06 -1.04 1.03 1.02 1.01 3 3 7 7 2 2 2 2 2 2 2 2 7 3 7 2 3 2 2 2 7 2 2 2 2 7 2 2 2 2 6 1 1 2 2 3 1 6 7 3 1 2 3 3 D:xy D:z2 S S S S S S S S S S S D:xz S S D:z2 S S S S S S S S S S S S S S S S S S D:xz S S S S S S D:xy D:xz -4.382 -4.382 1.678 1.678 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 1.678 -4.382 1.678 3.073 -4.382 3.073 3.073 3.073 1.678 3.073 3.073 3.073 3.073 1.678 3.073 3.073 3.073 3.073 -6.463 -6.581 -6.581 3.073 3.073 -4.382 -6.581 -6.463 1.678 -15.778 -6.581 3.073 -4.382 -4.382 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.00 1.00 0.00 0.00 0.80 1.00 2.00 0.00 2.00 1.00 0.00 0.80 0.80 19 16 19 7 140 150 160 142 145 147 155 159 6 14 4 156 19 183 143 151 9 141 148 182 184 12 144 149 117 120 19 150 142 157 154 16 147 9 17 2 140 139 14 11 W W W W H H H H H H H H W W W H W H H H W H H H H W H H H H W H H H H W H W W P H H W W 0.254 0.00 1120 A 3.64 3.27 2.38 2.13 1.90 1.82 -1.67 1.64 1.57 1.53 1.45 1.42 1.34 1.25 1.25 1.25 1.24 -1.23 1.18 1.17 1.12 1.08 1.07 1.04 1.01 1.00 -1.00 3 3 3 3 3 7 2 2 2 7 2 7 3 7 1 3 3 2 3 1 3 2 5 1 2 3 2 D:z2 D:xz D:x2-y2 S D:x2-y2 S S S S S S S D:xy S P:y D:z2 D:xy S D:xy P:z D:xz S P:z P:x S D:xy S -4.382 -4.382 -4.382 -15.778 -4.382 1.678 3.073 3.073 3.073 1.678 3.073 1.678 -4.382 1.678 -9.955 -4.382 -4.382 3.073 -4.382 -9.955 -4.382 3.073 0.094 -9.955 3.073 -4.382 3.073 0.80 0.80 0.80 2.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 1.33 0.80 0.80 0.00 0.80 1.33 0.80 0.00 0.00 1.33 0.00 0.80 0.00 10 5 7 1 12 16 166 123 165 13 118 19 20 18 50 7 9 116 5 53 18 172 10 48 117 11 122 W W W P W W H H H W H W W W O W W H W O W H W O H W H 0.304 0.00 1121 A -5.07 -4.88 4.85 4.34 4.07 3.50 3.50 3.23 3.18 3.13 3.13 2.98 2.94 -2.93 2.85 2.84 -2.78 2.76 2.61 2.54 2.50 2.48 2.44 2.41 -2.39 2.37 -2.25 2.23 -2.16 2.13 2.07 1.96 -1.91 1.89 1.89 1.87 1.86 1.77 1.72 1.68 1.67 1.66 1.57 1.52 1.51 1.49 1.49 1.39 1.39 -1.39 1.35 1.33 -1.30 -1.28 -1.27 -1.27 1.25 1.21 -1.15 1.13 -1.07 1.06 -1.04 1.03 1.00 2 2 2 2 2 7 7 2 7 2 2 2 2 2 1 2 2 7 2 1 7 2 2 2 1 1 1 2 2 2 2 1 2 1 1 1 6 6 2 1 2 6 2 1 6 1 6 1 1 1 1 1 1 3 3 3 2 1 3 1 3 1 3 2 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 3.073 3.073 3.073 3.073 3.073 1.678 1.678 3.073 1.678 3.073 3.073 3.073 3.073 3.073 -6.581 3.073 3.073 1.678 3.073 -6.581 1.678 3.073 3.073 3.073 -6.581 -6.581 -6.581 3.073 3.073 3.073 3.073 -6.581 3.073 -6.581 -6.581 -6.581 -6.463 -6.463 3.073 -6.581 3.073 -6.463 3.073 -6.581 -6.463 -6.581 -6.463 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 11.266 11.266 11.266 3.073 -6.581 11.266 -6.581 11.266 -6.581 11.266 3.073 -6.581 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 1.00 1.00 2.00 2.00 0.00 1.00 0.00 2.00 0.00 1.00 2.00 1.00 2.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 1.00 0.00 0.00 1.00 145 140 144 141 143 17 12 165 19 148 142 139 124 166 144 147 122 8 138 141 13 137 169 163 145 143 140 172 146 123 162 142 168 147 165 148 19 17 161 139 170 8 171 138 13 124 12 137 163 166 169 172 122 100 99 105 119 123 97 162 98 161 108 158 170 H H H H H W W H W H H H H H H H H W H H W H H H H H H H H H H H H H H H W W H H H W H H W H W H H H H H H C C C H H C H C H C H H 0.407 0.00 1122 A 2.97 -2.84 2.79 2.59 2.46 2.32 2.23 2.15 2.10 -2.03 2.00 1.97 1.92 1.79 1.77 1.76 1.75 1.64 1.56 1.55 1.53 -1.50 1.48 1.45 1.42 1.39 -1.39 1.38 1.35 1.30 1.29 1.28 1.27 1.25 1.25 -1.24 1.24 -1.24 1.20 1.20 -1.18 1.18 1.17 -1.17 -1.13 1.12 1.12 1.10 1.06 -1.04 1.03 2 2 2 2 7 2 2 2 2 2 2 2 2 6 1 1 7 2 1 2 2 2 1 1 3 1 1 7 2 1 6 2 1 1 2 3 2 2 2 1 3 2 2 2 2 2 1 2 2 2 7 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:xy S S 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 1.678 3.073 3.073 3.073 3.073 3.073 3.073 3.073 3.073 -6.463 -6.581 -6.581 1.678 3.073 -6.581 3.073 3.073 3.073 -6.581 -6.581 -4.382 -6.581 -6.581 1.678 3.073 -6.581 -6.463 3.073 -6.581 -6.581 3.073 11.266 3.073 3.073 3.073 -6.581 11.266 3.073 3.073 3.073 3.073 3.073 -6.581 3.073 3.073 3.073 1.678 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 0.80 1.00 1.00 0.00 0.00 1.00 2.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 169 166 150 172 13 161 170 165 171 168 127 163 120 13 169 150 6 178 172 117 164 149 161 165 14 170 166 16 176 127 6 151 171 163 126 108 125 133 135 164 105 132 174 121 128 130 120 154 153 155 9 H H H H W H H H H H H H H W H H W H H H H H H H W H H W H H W H H H H C H H H H C H H H H H H H H H W 0.449 0.00 1123 A 4.44 4.29 4.24 4.16 -4.04 3.95 3.80 3.79 -3.72 3.68 -3.47 -3.39 3.09 3.08 3.07 2.99 2.96 2.94 2.93 2.71 2.63 2.55 2.54 2.49 2.42 2.32 2.26 2.25 2.21 2.21 2.18 2.09 -1.96 1.95 -1.93 1.90 1.89 1.88 1.86 -1.80 -1.72 -1.70 1.68 1.67 1.66 1.62 -1.62 1.58 1.53 1.51 1.49 1.43 -1.38 1.27 1.25 1.24 -1.24 1.23 -1.22 -1.21 1.20 -1.20 -1.14 -1.13 1.06 -1.06 1.06 1.04 1.00 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 1 2 2 2 1 1 1 1 7 1 2 1 7 1 1 1 2 1 1 1 1 1 1 3 7 6 2 1 1 2 7 6 2 1 2 2 2 2 3 6 3 3 7 3 3 2 1 2 1 1 1 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S P:x S S S S S S S S S S S S S S S S S S S S S S S S S S S P:x P:y P:y 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 -6.581 -6.581 3.073 -6.581 3.073 3.073 3.073 -6.581 -6.581 -6.581 -6.581 1.678 -6.581 3.073 -6.581 1.678 -6.581 -6.581 -6.581 3.073 -6.581 -6.581 -5.048 -6.581 -6.581 -6.581 11.266 1.678 -6.463 3.073 -6.581 -6.581 3.073 1.678 -6.463 3.073 -6.581 3.073 3.073 3.073 3.073 11.266 -6.463 11.266 11.266 1.678 11.266 11.266 3.073 -6.581 5.519 -5.048 -5.048 -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 1.00 1.00 0.00 1.00 0.00 0.00 0.00 1.00 1.00 1.00 1.00 0.00 1.00 0.00 1.00 0.00 1.00 1.00 1.00 0.00 1.00 1.00 0.67 1.00 1.00 1.00 0.00 0.00 2.00 0.00 1.00 1.00 0.00 0.00 2.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.67 0.67 1.00 119 118 114 124 116 156 157 113 121 115 122 155 158 123 152 119 118 151 124 153 117 120 114 156 157 113 4 123 154 115 7 158 116 151 160 120 117 89 152 121 155 89 8 4 147 153 122 148 18 7 142 154 149 138 143 137 102 8 90 92 19 91 103 140 147 91 102 92 142 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 H H C H H H C W W H H H H W W H H H H H H C W C C W C C H H C C C H 0.477 0.00 1124 A 3.41 2.68 2.34 2.20 2.16 2.15 2.11 2.08 2.04 2.00 1.95 1.94 1.88 1.82 -1.79 -1.64 1.61 1.60 -1.60 1.49 1.49 1.44 1.39 1.39 1.38 1.28 1.27 1.25 1.23 1.23 1.22 1.21 1.10 1.09 1.07 -1.07 1.07 -1.05 1.03 1.03 1.02 1.02 -1.01 1.01 2 2 2 3 2 2 2 2 3 2 7 2 1 2 2 2 1 3 2 7 1 2 1 2 1 1 1 1 1 1 2 3 1 3 6 3 7 3 1 2 3 1 3 5 S S S D:z2 S S S S D:x2-y2 S S S S S S S S D:z2 S S S S S S S S S S S S S D:xz P:y D:xz S S S S S S D:xy S S P:z 3.073 3.073 3.073 -4.382 3.073 3.073 3.073 3.073 -4.382 3.073 1.678 3.073 -6.581 3.073 3.073 3.073 -6.581 -4.382 3.073 1.678 -6.581 3.073 -6.581 3.073 -6.581 -6.581 -6.581 -6.581 -6.581 -6.581 3.073 -4.382 -9.955 -4.382 -6.463 11.266 1.678 11.266 -6.581 3.073 -4.382 -6.581 11.266 0.094 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 0.80 0.00 0.00 1.00 0.00 1.00 0.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 0.80 1.33 0.80 2.00 0.00 0.00 0.00 1.00 0.00 0.80 1.00 0.00 0.00 130 178 174 16 135 127 180 126 7 125 14 176 130 173 133 177 178 10 128 6 135 131 176 181 174 173 126 127 180 125 132 16 50 14 14 93 16 109 181 179 19 131 111 16 H H H W H H H H W H W H H H H H H W H W H H H H H H H H H H H W O W W C W C H H W H C W 0.583 0.00 1125 A 5.66 3.87 2.93 2.75 2.64 2.32 2.07 2.01 1.94 1.94 1.59 1.56 1.50 1.49 1.22 1.20 1.13 1.09 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 D:xy D:xz D:z2 D:xz D:z2 D:z2 D:yz D:xy D:x2-y2 D:x2-y2 D:yz D:xy D:yz D:yz D:x2-y2 D:xy D:x2-y2 D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 16 7 7 14 10 19 4 5 5 10 14 19 13 19 7 9 13 6 W W W W W W W W W W W W W W W W W W 0.593 0.00 1126 A 5.36 4.94 4.84 3.36 2.00 1.57 1.51 1.44 1.42 1.41 1.40 1.28 3 3 3 3 3 3 3 3 3 3 3 3 D:x2-y2 D:xz D:xy D:xz D:z2 D:z2 D:x2-y2 D:xy D:x2-y2 D:z2 D:yz 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 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 10 5 14 19 16 5 19 20 7 14 19 19 W W W W W W W W W W W W 0.624 0.00 1127 A 6.71 5.89 5.83 5.53 4.02 3.14 2.56 2.45 2.36 2.18 2.18 2.14 2.10 1.99 1.99 1.97 1.67 1.66 1.48 1.35 -1.31 1.24 1.21 1.18 -1.15 1.10 1.03 7 7 7 7 7 6 7 6 3 6 3 3 6 2 6 7 3 3 2 6 6 3 1 2 7 2 2 S S S S S S S S D:yz S D:yz D:yz S S S S D:x2-y2 D:yz S S S D:z2 S S S S S 1.678 1.678 1.678 1.678 1.678 -6.463 1.678 -6.463 -4.382 -6.463 -4.382 -4.382 -6.463 3.073 -6.463 1.678 -4.382 -4.382 3.073 -6.463 -6.463 -4.382 -6.581 3.073 1.678 3.073 3.073 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.80 2.00 0.80 0.80 2.00 0.00 2.00 0.00 0.80 0.80 0.00 2.00 2.00 0.80 1.00 0.00 0.00 0.00 0.00 5 11 10 3 20 5 8 3 11 11 9 18 10 182 20 7 7 20 181 8 9 20 182 136 9 173 179 W W W W W W W W W W W W W H W W W W H W W W H H W H H 0.658 0.00 1128 A 4.82 4.63 4.00 3.15 3.14 2.87 2.86 2.50 2.34 2.07 1.87 1.83 1.43 1.38 1.30 1.24 1.21 1.10 1.01 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 D:x2-y2 D:z2 D:z2 D:yz D:x2-y2 D:yz D:x2-y2 D:yz D:yz D:yz D:xy D:yz D:z2 D:yz D:xy D:xz D:x2-y2 D:yz D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 3 4 12 15 13 3 4 6 17 13 13 8 10 4 16 13 12 12 12 W W W W W W W W W W W W W W W W W W W 0.665 0.00 1129 A 4.64 3.99 3.61 3.49 3.45 3.04 3.00 2.48 2.10 1.73 1.73 1.64 1.62 1.57 1.43 1.30 1.30 1.19 1.04 1.02 3 3 3 3 3 3 3 3 3 7 7 3 3 3 6 7 3 3 3 3 D:yz D:yz D:yz D:xz D:yz D:yz D:yz D:yz D:yz S S D:xy D:xz D:z2 S S D:xy D:xz D:xy D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 1.678 1.678 -4.382 -4.382 -4.382 -6.463 1.678 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.80 0.80 2.00 0.00 0.80 0.80 0.80 0.80 17 11 18 9 15 8 6 20 9 10 5 8 20 6 5 3 18 11 15 10 W W W W W W W W W W W W W W W W W W W W 0.700 0.00 1130 A 2.73 2.68 2.52 2.23 2.01 1.96 1.96 1.86 1.74 1.72 1.62 1.49 1.47 1.40 1.35 1.34 1.32 1.23 1.23 1.10 1.09 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 7 D:yz D:yz D:yz D:yz D:yz D:z2 D:z2 D:yz D:xz D:yz D:yz D:yz D:x2-y2 D:x2-y2 D:z2 D:z2 D:yz D:xy D:yz D:xy S -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 1.678 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 18 3 13 17 11 20 6 4 8 15 6 8 10 11 12 4 12 14 9 16 3 W W W W W W W W W W W W W W W W W W W W W 0.822 0.00 1131 A 9.69 6.70 6.63 5.26 4.93 4.41 3.82 3.49 3.25 3.10 2.72 2.54 2.40 1.91 1.82 1.59 1.56 1.36 1.30 1.27 -1.23 -1.21 1.20 1.18 1.16 -1.15 1.12 1.04 1.04 1.01 7 6 7 7 7 7 6 7 7 6 7 6 6 6 2 6 2 1 6 2 7 3 2 2 1 3 7 2 2 1 S S S S S S S S S S S S S S S S S P:z S S S P:y S S S S S S S S 1.678 -6.463 1.678 1.678 1.678 1.678 -6.463 1.678 1.678 -6.463 1.678 -6.463 -6.463 -6.463 3.073 -6.463 3.073 -5.048 -6.463 3.073 1.678 2.910 3.073 3.073 -6.581 15.427 1.678 3.073 3.073 -6.581 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 2.00 2.00 2.00 0.00 2.00 0.00 0.67 2.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 1.00 20 20 14 10 16 19 14 8 7 16 5 10 8 19 135 7 144 95 5 176 15 2 126 124 135 84 11 132 136 144 W W W W W W W W W W W W W W H W H C W H W P H H H N W H H H 0.840 0.00 1132 A 4.95 3.55 2.89 2.66 2.53 2.41 2.39 2.21 2.05 1.99 1.99 1.92 1.90 1.65 1.65 1.60 1.60 1.56 1.56 1.51 1.51 1.42 1.41 1.37 1.25 1.25 1.24 1.21 1.20 1.11 -1.11 1.10 1.03 1.03 -1.03 7 6 7 7 7 2 2 7 2 6 2 2 2 2 1 7 2 6 7 6 2 1 7 2 7 7 2 6 6 1 2 2 6 2 2 S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S P:y S S S P:z 1.678 -6.463 1.678 1.678 1.678 3.073 3.073 1.678 3.073 -6.463 3.073 3.073 3.073 3.073 -6.581 1.678 3.073 -6.463 1.678 -6.463 3.073 -6.581 1.678 3.073 1.678 1.678 3.073 -6.463 -6.463 -6.581 5.519 3.073 -6.463 3.073 5.519 0.00 2.00 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 2.00 0.00 2.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 1.00 0.00 0.00 2.00 0.00 0.00 16 16 7 14 4 158 172 19 167 7 151 159 162 156 172 10 165 14 13 4 127 167 15 134 5 20 169 15 19 151 106 129 13 178 105 W W W W W H H W H W H H H H H W H W W W H H W H W W H W W H C H W H C 0.891 0.00 1133 A 6.35 5.03 4.26 3.86 3.39 3.21 2.69 2.63 2.58 2.53 2.45 2.42 2.42 2.23 2.10 1.94 1.87 1.86 1.76 1.75 1.48 1.47 1.47 1.46 1.41 1.40 1.38 -1.34 1.34 1.32 1.32 1.31 1.25 1.23 -1.23 1.22 1.20 -1.19 1.12 1.09 -1.06 1.05 -1.02 1.01 1.00 7 7 7 6 7 7 6 2 2 2 7 6 6 2 7 1 1 2 7 7 2 7 2 7 6 1 1 2 6 1 2 1 1 2 3 1 6 3 2 1 3 6 2 1 1 S S S S S S S S S S S S S S S S S S S S S S S S S P:y S P:y S S S S P:x S S S S P:z S P:z P:z S P:y S S 1.678 1.678 1.678 -6.463 1.678 1.678 -6.463 3.073 3.073 3.073 1.678 -6.463 -6.463 3.073 1.678 -6.581 -6.581 3.073 1.678 1.678 3.073 1.678 3.073 1.678 -6.463 -5.048 -6.581 5.519 -6.463 -6.581 3.073 -6.581 -5.048 3.073 15.427 -6.581 -6.463 2.910 3.073 -5.048 2.910 -6.463 5.519 -6.581 -6.581 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.67 1.00 0.00 2.00 1.00 0.00 1.00 0.67 0.00 0.00 1.00 2.00 0.00 0.00 0.67 0.00 2.00 0.00 1.00 1.00 4 16 13 4 20 11 20 131 171 170 14 11 16 184 19 171 170 176 6 15 175 3 161 18 6 105 184 112 14 131 150 161 108 163 87 163 13 1 130 108 2 15 110 150 176 W W W W W W W H H H W W W H W H H H W W H W H W W C H C W H H H C H N H W P H C P W C H H 0.922 0.00 1134 A 7.77 6.34 5.42 4.42 4.34 4.28 3.49 2.64 2.49 -2.23 1.90 1.88 1.77 -1.72 -1.68 1.68 1.66 1.55 1.45 1.42 1.41 1.36 1.36 1.34 -1.34 1.33 1.33 1.32 1.16 1.13 1.03 1.02 7 7 7 6 6 7 6 6 2 3 2 1 7 3 2 2 2 2 1 2 2 7 1 2 3 1 1 1 6 1 1 2 S S S S S S S S S P:x S P:x S S S S S S P:z S S S S S S S P:y P:x S S P:z S 1.678 1.678 1.678 -6.463 -6.463 1.678 -6.463 -6.463 3.073 2.910 3.073 -5.048 1.678 15.427 3.073 3.073 3.073 3.073 -5.048 -21.259 3.073 1.678 -6.581 3.073 15.427 -6.581 -5.048 -5.048 -6.463 -6.581 -5.048 -21.259 0.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.67 2.00 0.00 0.00 1.00 0.00 0.00 1.00 0.67 0.67 2.00 1.00 0.67 2.00 8 5 17 5 8 3 17 3 144 1 147 89 11 83 122 124 115 138 90 83 177 4 147 181 85 115 92 111 11 138 98 85 W W W W W W W W H P H C W N H H H H C N H W H H N H C C W H C N 0.937 0.00 1135 A 4.23 3.33 2.81 2.47 2.27 2.25 2.22 2.00 1.92 1.84 1.78 1.76 1.68 1.65 1.56 -1.56 1.50 1.44 1.37 1.36 1.31 1.30 -1.27 1.26 1.25 1.24 1.24 1.24 1.11 1.10 1.09 1.08 1.08 1.07 1.06 1.05 1.03 1.03 2 2 2 2 2 7 1 2 7 1 1 7 2 2 2 3 6 1 6 1 1 1 2 1 6 2 3 1 3 1 2 2 7 1 1 2 2 2 S S S S S S S S S P:x S S S S S S S S S S P:y S P:x P:y S S D:x2-y2 S D:xy S S S S S P:z S S S 3.073 3.073 3.073 3.073 3.073 1.678 -6.581 3.073 1.678 -5.048 -6.581 1.678 3.073 3.073 3.073 15.427 -6.463 -6.581 -6.463 -6.581 -5.048 -6.581 5.519 -5.048 -6.463 -21.259 -4.382 -6.581 -4.382 -6.581 3.073 3.073 1.678 -6.581 -5.048 3.073 3.073 3.073 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.67 1.00 0.00 0.00 0.00 0.00 0.00 2.00 1.00 2.00 1.00 0.67 1.00 0.00 0.67 2.00 2.00 0.80 1.00 0.80 1.00 0.00 0.00 0.00 1.00 0.67 0.00 0.00 0.00 165 159 134 117 182 15 165 127 5 103 134 9 126 125 124 86 18 159 15 125 102 126 104 93 5 86 15 127 18 182 153 169 18 124 101 157 113 178 H H H H H W H H W C H W H H H N W H W H C H C C W N W H W H H H W H C H H H 0.976 0.00 1136 A 2.83 2.38 2.26 1.99 1.80 1.77 1.76 1.68 1.64 1.62 1.48 1.42 -1.42 1.34 1.32 1.20 1.17 1.17 1.16 1.15 1.15 1.13 1.11 1.09 1.08 -1.07 1.04 1.04 1.04 1.01 3 7 2 7 7 6 2 3 1 3 6 6 2 3 7 1 6 3 2 2 2 2 3 6 1 3 1 3 2 7 D:x2-y2 S S S S S S D:x2-y2 S D:z2 S S P:x D:xz S S S D:xz S S S S D:yz S P:y S P:x D:xz S S -4.382 1.678 3.073 1.678 1.678 -6.463 3.073 -4.382 -6.581 -4.382 -6.463 -6.463 5.519 -4.382 1.678 -6.581 -6.463 -4.382 3.073 3.073 3.073 3.073 -4.382 -6.463 -5.048 15.427 -9.955 -4.382 3.073 1.678 0.80 0.00 0.00 0.00 0.00 2.00 0.00 0.80 1.00 0.80 2.00 2.00 0.00 0.80 0.00 1.00 2.00 0.80 0.00 0.00 0.00 0.00 0.80 2.00 0.67 0.00 1.33 0.80 0.00 0.00 6 12 158 18 16 12 162 4 158 10 18 13 104 9 5 162 5 7 150 157 143 134 15 16 92 83 49 8 164 13 W W H W W W H W H W W W C W W H W W H H H H W W C N O W H W 1.000 0.00 1137 A 3.17 2.59 2.52 2.50 2.44 2.38 2.34 2.14 2.08 1.87 1.86 1.69 1.42 1.37 1.32 1.27 1.25 1.04 1.02 1.00 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 D:xy D:x2-y2 D:xy D:xy D:x2-y2 D:x2-y2 D:xy D:x2-y2 D:xz D:x2-y2 D:xy D:xz D:xz D:xz D:xy D:yz D:xz D:z2 D:z2 D:z2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 20 13 9 12 3 4 18 12 11 10 11 18 19 9 14 13 5 5 14 3 W W W W W W W W W W W W W W W W W W W W 1.007 0.00 1138 A 3.28 2.52 2.29 2.07 2.07 1.97 1.92 1.90 1.80 1.77 1.77 1.63 1.57 1.49 1.27 1.25 1.21 1.19 1.19 1.19 -1.11 1.10 1.08 1.06 -1.03 1.02 3 6 2 3 3 7 1 6 7 7 3 3 3 3 6 3 7 3 3 1 2 1 1 3 2 2 D:xy S S D:xz D:x2-y2 S S S S S D:yz D:x2-y2 D:xy D:xy S D:x2-y2 S D:xz D:z2 P:x P:x P:x P:x D:yz P:x S -4.382 -6.463 3.073 -4.382 -4.382 1.678 -6.581 -6.463 1.678 1.678 -4.382 -4.382 -4.382 -4.382 -6.463 -4.382 1.678 -4.382 -4.382 -9.955 5.519 -9.955 -5.048 -4.382 5.519 3.073 0.80 2.00 0.00 0.80 0.80 0.00 1.00 2.00 0.00 0.00 0.80 0.80 0.80 0.80 2.00 0.80 0.00 0.80 0.80 1.33 0.00 1.33 0.67 0.80 0.00 0.00 17 12 141 17 17 12 141 19 19 3 13 13 16 18 3 15 14 15 19 79 98 63 111 14 99 123 W W H W W W H W W W W W W W W W W W W O C O C W C H 1.049 0.00 1139 A 4.69 4.38 3.59 3.17 2.97 2.91 2.84 2.57 2.24 2.16 1.96 1.96 1.79 -1.79 1.78 1.74 1.73 1.72 1.60 -1.56 1.47 1.40 1.38 1.36 1.36 1.30 1.24 -1.24 1.19 -1.19 -1.19 1.19 1.17 1.16 1.14 -1.14 1.10 1.09 1.09 1.05 1.03 1.01 1.00 2 2 7 2 6 7 1 7 1 2 6 1 2 3 7 6 2 7 2 2 7 1 6 3 7 6 2 2 1 2 2 6 2 2 6 2 3 2 1 2 2 1 2 S S S S S S S S S S S S S S S S S S S P:y S P:x S D:xy S S S P:y P:y P:z S S S S S P:y D:xy S P:x S S S S 3.073 3.073 1.678 3.073 -6.463 1.678 -6.581 1.678 -6.581 3.073 -6.463 -6.581 3.073 15.427 1.678 -6.463 3.073 1.678 -21.259 5.519 1.678 -5.048 -6.463 -4.382 1.678 -6.463 3.073 5.519 -5.048 5.519 3.073 -6.463 3.073 3.073 -6.463 5.519 -4.382 3.073 -5.048 3.073 3.073 -6.581 3.073 0.00 0.00 0.00 0.00 2.00 0.00 1.00 0.00 1.00 0.00 2.00 1.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.67 2.00 0.80 0.00 2.00 0.00 0.00 0.67 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.80 0.00 0.67 0.00 0.00 1.00 0.00 123 120 17 182 17 10 123 7 120 150 10 182 141 84 9 7 178 5 84 90 11 94 9 18 18 5 134 92 93 112 122 11 158 118 18 91 20 157 103 114 152 158 176 H H W H W W H W H H W H H N W W H W N C W C W W W W H C C C H W H H W C W H C H H H H 1.092 0.00 1140 A 4.91 3.45 3.30 1.99 1.82 1.82 1.79 1.66 1.65 1.64 1.38 1.30 1.27 1.25 1.24 1.23 1.18 1.16 1.16 1.15 1.14 1.10 1.04 1.03 3 3 3 3 3 3 3 2 3 3 3 3 3 3 7 1 6 7 1 7 6 6 3 7 D:x2-y2 D:x2-y2 D:yz D:xz D:yz D:yz D:yz S D:xy D:x2-y2 D:x2-y2 D:z2 D:x2-y2 D:z2 S P:y S S P:x S S S D:x2-y2 S -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 3.073 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 1.678 -9.955 -6.463 1.678 -9.955 1.678 -6.463 -6.463 -4.382 1.678 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.00 1.33 2.00 0.00 1.33 0.00 2.00 2.00 0.80 0.00 4 6 3 8 13 4 12 130 12 12 15 10 7 3 13 47 10 20 49 7 13 20 8 10 W W W W W W W H W W W W W W W O W W O W W W W W 1.118 0.00 1141 A 5.38 4.07 3.56 3.01 2.04 2.04 2.02 1.83 1.76 1.61 -1.44 1.40 1.38 1.27 1.27 1.23 1.22 1.22 1.21 1.13 1.10 1.08 1.05 1.05 6 7 3 3 6 7 2 2 3 2 2 7 2 3 1 3 6 1 2 3 3 3 1 2 S S D:xy D:xy S S S S D:xz S P:z S S D:xz S D:xy S S S D:x2-y2 D:xy D:x2-y2 P:x S -6.463 1.678 -4.382 -4.382 -6.463 1.678 3.073 3.073 -4.382 3.073 5.519 1.678 3.073 -4.382 -6.581 -4.382 -6.463 -6.581 3.073 -4.382 -4.382 -4.382 -9.955 3.073 2.00 0.00 0.80 0.80 2.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.80 1.00 0.80 2.00 1.00 0.00 0.80 0.80 0.80 1.33 0.00 18 18 20 9 14 14 118 124 8 165 92 10 182 11 124 11 10 118 119 8 17 11 82 136 W W W W W W H H W H C W H W H W W H H W W W O H 1.131 0.00 1142 A 6.27 5.10 3.99 3.63 3.63 3.58 3.50 2.43 2.14 2.03 1.99 1.92 1.89 1.79 1.75 -1.73 1.68 -1.67 1.65 1.62 1.57 -1.57 -1.57 1.56 -1.50 1.44 1.37 1.32 1.30 1.29 1.28 1.27 1.26 1.25 1.24 1.19 1.09 1.07 1.05 1.04 1.03 7 6 7 7 6 6 2 2 1 7 6 1 2 1 2 2 7 2 2 2 2 2 2 1 3 2 1 3 2 2 2 1 6 7 1 2 2 1 6 1 2 S S S S S S S S S S S S S S S P:x S P:x S S S S P:y S S S S D:xy S S S S S S P:z S S P:x S S S 1.678 -6.463 1.678 1.678 -6.463 -6.463 3.073 3.073 -6.581 1.678 -6.463 -6.581 3.073 -6.581 3.073 5.519 1.678 5.519 3.073 3.073 3.073 3.073 5.519 -6.581 15.427 -21.259 -6.581 -4.382 3.073 3.073 3.073 -6.581 -6.463 1.678 -5.048 3.073 3.073 -5.048 -6.463 -6.581 3.073 0.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 1.00 0.00 2.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 2.00 1.00 0.80 0.00 0.00 0.00 1.00 2.00 0.00 0.67 0.00 0.00 0.67 2.00 1.00 0.00 7 7 3 12 3 12 131 156 184 4 20 131 117 150 132 101 11 104 184 135 150 155 112 159 86 86 117 20 124 159 134 134 4 20 104 143 130 101 11 179 157 W W W W W W H H H W W H H H H C W C H H H H C H N N H W H H H H W W C H H C W H H 1.179 0.00 1143 A 4.12 3.82 3.18 2.79 2.59 2.47 2.46 2.32 2.23 2.19 -2.17 2.07 1.77 1.68 1.67 1.65 1.65 1.60 1.56 1.53 1.49 1.33 1.32 1.30 1.26 1.25 1.25 1.24 -1.23 -1.23 -1.18 1.17 1.11 1.11 1.11 1.09 1.09 1.06 1.05 1.05 -1.03 2 1 2 1 6 1 2 2 7 1 3 2 1 3 3 3 6 2 2 7 1 6 7 1 3 1 6 3 2 2 2 7 3 2 2 7 1 1 6 2 2 S P:y S S S S S S S P:x S S S D:xy D:x2-y2 D:xz S S S S S S S P:z D:x2-y2 P:z S D:xz P:y P:x P:x S D:xy S S S S S S S P:z 3.073 -5.048 3.073 -6.581 -6.463 -6.581 3.073 3.073 1.678 -5.048 15.427 -21.259 -6.581 -4.382 -4.382 -4.382 -6.463 3.073 3.073 1.678 -6.581 -6.463 1.678 -5.048 -4.382 -5.048 -6.463 -4.382 5.519 5.519 5.519 1.678 -4.382 3.073 3.073 1.678 -6.581 -6.581 -6.463 3.073 5.519 0.00 0.67 0.00 1.00 2.00 1.00 0.00 0.00 0.00 0.67 0.00 2.00 1.00 0.80 0.80 0.80 2.00 0.00 0.00 0.00 1.00 2.00 0.00 0.67 0.80 0.67 2.00 0.80 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 1.00 1.00 2.00 0.00 0.00 150 92 120 118 17 150 118 136 3 89 83 83 120 18 6 18 3 141 157 12 136 9 17 91 11 90 12 11 90 104 101 9 11 148 144 10 114 141 10 181 90 H C H H W H H H W C N N H W W W W H H W H W W C W C W W C C C W W H H W H H W H C