72

 Pd                 0.01001148   -0.37117421    0.07916562
 Sn                -0.03073627    2.03806090   -0.64466375
 Br                 0.03417881   -2.78395937    0.92579006
 N                 -2.84236421   -0.13773006    1.15584426
 C                 -6.52231693   -0.82600715    0.97823087
 H                 -7.45720490   -0.78451204    1.52845224
 N                 -2.83273614   -0.90301861   -0.89462670
 Cl                 0.04809455    3.58756076    1.19036974
 C                 -6.51640358   -1.31635770   -0.33992416
 H                 -7.44691828   -1.64695043   -0.79090806
 C                 -5.33917651   -1.39084635   -1.08118560
 H                 -5.34528565   -1.77735401   -2.09214953
 N                  2.86406745   -0.83393390   -0.91324991
 N                  2.86157430   -0.11477022    1.15426173
 C                 -4.16228673   -0.95644452   -0.46412373
 C                 -4.16855099   -0.46502296    0.85527239
 C                 -5.35126291   -0.39416329    1.59710485
 H                 -5.36660085   -0.02615698    2.61492991
 C                 -2.04571864   -0.42739356    0.09921194
 C                 -2.29774650   -1.37754437   -2.19082539
 H                 -1.23433973   -1.12681576   -2.14379071
 C                 -2.42059136   -2.89996247   -2.29433943
 H                 -1.89643675   -3.37221462   -1.45748685
 H                 -1.96665086   -3.23879693   -3.23141225
 H                 -3.46554704   -3.22501451   -2.28569745
 C                 -2.91160060   -0.61252885   -3.36542620
 H                 -3.96873469   -0.85105544   -3.51035082
 H                 -2.37948930   -0.88483575   -4.28259961
 H                 -2.81502089    0.46636489   -3.21257399
 C                 -2.32039395    0.36333776    2.44750145
 H                 -1.25727538    0.53289581    2.25526566
 C                 -2.43743038   -0.71625398    3.52659479
 H                 -1.90626949   -1.61856878    3.20733602
 H                 -3.48066186   -0.97479926    3.73291151
 H                 -1.98655252   -0.35260353    4.45572690
 C                 -2.95026390    1.70595280    2.82525794
 H                 -2.43026588    2.10881672    3.70001636
 H                 -4.00975069    1.61210276    3.07830588
 H                 -2.84933591    2.42469136    2.00639584
 C                  2.07015549   -0.38143805    0.08699724
 C                  4.18940381   -0.43475735    0.85354598
 C                  4.19080261   -0.89848986   -0.47570232
 C                  5.36993223   -1.32991359   -1.09094243
 H                  5.38133447   -1.70218289   -2.10704159
 C                  6.54199777   -1.27518545   -0.33996646
 H                  7.47369861   -1.60440933   -0.78949157
 C                  6.54080908   -0.80869632    0.98675117
 H                  7.47171616   -0.78251389    1.54462622
 C                  5.36708193   -0.38385449    1.60515465
 H                  5.37614959   -0.03750387    2.63054612
 C                  2.33653337    0.35968722    2.45530995
 H                  1.27194574    0.52477963    2.26833947
 C                  2.46447141   -0.73661943    3.51601404
 H                  1.94979714   -1.64155404    3.17792590
 H                  2.00264408   -0.39606241    4.44850838
 H                  3.51047815   -0.98205049    3.72436204
 C                  2.95683441    1.70105195    2.85228529
 H                  4.02288635    1.61600676    3.07914754
 H                  2.45125991    2.07600505    3.74763308
 H                  2.82535049    2.43630445    2.05286964
 C                  2.33863638   -1.27505657   -2.22554773
 H                  1.28290147   -0.99185927   -2.19471114
 C                  2.99189678   -0.51542744   -3.38307518
 H                  4.04451464   -0.77890099   -3.51544407
 H                  2.91727317    0.56420892   -3.22507982
 H                  2.46714261   -0.76801446   -4.31014617
 C                  2.42280461   -2.79881565   -2.34768766
 H                  1.96853838   -3.11481389   -3.29248702
 H                  1.88250846   -3.27000357   -1.52067907
 H                  3.46034839   -3.14736808   -2.33581928
 Cl                -1.94557847    2.88728014   -1.80998329
 Cl                 1.72115383    2.92603868   -2.01574152

72

 Pd                 0.16365471   -0.67552697   -0.45360249
 Sn                 2.63475646   -1.08478073    0.22217798
 Br                 0.12928424   -3.00541644   -1.47333774
 N                 -2.67061298   -1.34803671    0.48192583
 C                 -6.38302689   -0.85233016    0.67124826
 H                 -7.29709581   -1.19568094    1.14547161
 N                 -2.76587816    0.26362179   -0.99647599
 Cl                 4.45177207   -1.51262442   -1.30265040
 C                 -6.44142769    0.19219218   -0.26913923
 H                 -7.39920040    0.64387058   -0.50764910
 C                 -5.29395953    0.65948635   -0.90400692
 H                 -5.35106204    1.46264391   -1.62698425
 N                  0.89255311    2.23636075   -0.73751414
 N                 -0.06017176    1.87678337    1.20478596
 C                 -4.08048572    0.05113180   -0.56690596
 C                 -4.01941128   -0.98759503    0.37801797
 C                 -5.17599017   -1.45818476    1.00946567
 H                 -5.14741475   -2.26267282    1.73217292
 C                 -1.92195841   -0.58380435   -0.35834954
 C                 -2.33071573    1.23950396   -2.01617196
 H                 -1.25819154    1.06441219   -2.09645858
 C                 -2.95343107    0.93315362   -3.38141082
 H                 -2.75601880   -0.10515495   -3.66568240
 H                 -2.50591050    1.58920836   -4.13505926
 H                 -4.03402696    1.09771256   -3.39382230
 C                 -2.55997039    2.67586622   -1.53522436
 H                 -3.62309395    2.90508197   -1.42326410
 H                 -2.14032701    3.37802059   -2.26161360
 H                 -2.06996908    2.84700157   -0.57232915
 C                 -2.13843372   -2.45854634    1.31348384
 H                 -1.06274259   -2.44029968    1.13299759
 C                 -2.67561339   -3.80395838    0.81695860
 H                 -2.43569229   -3.93533047   -0.24078819
 H                 -3.75742788   -3.89166626    0.95278889
 H                 -2.19596894   -4.60933008    1.38220771
 C                 -2.38171958   -2.22637485    2.80791173
 H                 -1.89631928   -3.03054142    3.36936850
 H                 -3.44332243   -2.23022524    3.06749408
 H                 -1.95390234   -1.27794830    3.14073741
 C                  0.35830164    1.27504816    0.06655086
 C                  0.20506213    3.24970408    1.14571245
 C                  0.82042496    3.47896444   -0.09729555
 C                  1.22293760    4.76256422   -0.47989572
 H                  1.70549480    4.95364175   -1.42903232
 C                  0.98310783    5.80173351    0.41510470
 H                  1.28463743    6.80935621    0.14694927
 C                  0.36052527    5.57268226    1.65534177
 H                  0.18698849    6.40648431    2.32818797
 C                 -0.03760364    4.29571750    2.04147672
 H                 -0.51402816    4.13178772    2.99909369
 C                 -0.66062136    1.15115048    2.34601248
 H                 -0.65113467    0.10843563    2.02478365
 C                  0.22203574    1.26288162    3.59227711
 H                  1.24567343    0.95243288    3.36108638
 H                 -0.17616354    0.60551164    4.37165884
 H                  0.24984665    2.27978216    3.99254644
 C                 -2.11402083    1.58390620    2.56115813
 H                 -2.19007525    2.63674082    2.84538645
 H                 -2.55929643    0.98818214    3.36331970
 H                 -2.70397517    1.42984635    1.65261627
 C                  1.55989632    1.96724788   -2.03809115
 H                  1.42304618    0.89308992   -2.19333723
 C                  0.88839358    2.70516605   -3.20051159
 H                  0.96723115    3.79068428   -3.10325985
 H                 -0.16861646    2.44668640   -3.28820898
 H                  1.38489058    2.41469034   -4.13130028
 C                  3.06135953    2.26273791   -1.94619505
 H                  3.55359305    1.90199326   -2.85412369
 H                  3.51249289    1.76304152   -1.08516536
 H                  3.25859701    3.33446787   -1.85509476
 Cl                 2.90525063   -2.93634739    1.73268487
 Cl                 3.69441459    0.62223796    1.59018648

67

 Pd                -0.00000922   -0.00011921   -0.00009450
 N                 -2.88732840   -0.95795852    0.52207453
 C                 -6.61785152   -0.61636618    0.33669075
 H                 -7.56254181   -1.08649776    0.59334410
 N                 -2.88719769    0.95793149   -0.52195077
 C                 -6.61776748    0.61684997   -0.33654891
 H                 -7.56239317    1.08711985   -0.59318645
 C                 -5.42514283    1.25202813   -0.68327963
 H                 -5.43806910    2.20241525   -1.20206476
 N                  2.88715807    0.95792078    0.52202330
 N                  2.88736095   -0.95792405   -0.52207366
 C                 -4.22736586    0.61868125   -0.33752686
 C                 -4.22745264   -0.61855423    0.33760733
 C                 -5.42531291   -1.25171602    0.68340660
 H                 -5.43837274   -2.20209116    1.20221294
 C                 -2.05642121   -0.00009493    0.00003692
 C                 -2.37203092    2.17076927   -1.18481949
 H                 -1.28487884    2.05115120   -1.11940856
 C                 -2.76413427    2.20592794   -2.66529183
 H                 -2.43091915    1.29193469   -3.16816047
 H                 -2.28371829    3.06239551   -3.15004760
 H                 -3.84501066    2.30208868   -2.80674929
 C                 -2.76399241    3.43594425   -0.41506768
 H                 -3.84457400    3.60855670   -0.42112335
 H                 -2.28175994    4.30596961   -0.87319783
 H                 -2.43277481    3.36484705    0.62635471
 C                 -2.37233958   -2.17100165    1.18471001
 H                 -1.28517697   -2.05159070    1.11917841
 C                 -2.76464562   -3.43598543    0.41480459
 H                 -2.43362462   -3.36475838   -0.62667215
 H                 -3.84524507   -3.60847508    0.42105191
 H                 -2.28243999   -4.30615579    0.87268738
 C                 -2.76429306   -2.20627952    2.66521890
 H                 -2.28416656   -3.06302457    3.14977802
 H                 -3.84519025   -2.30201939    2.80678081
 H                 -2.43066386   -1.29250987    3.16822070
 C                  2.05641381   -0.00007344   -0.00007367
 C                  4.22747370   -0.61853299   -0.33748579
 C                  4.22733543    0.61869139    0.33766969
 C                  5.42508743    1.25200983    0.68356212
 H                  5.43798046    2.20238082    1.20237985
 C                  6.61773679    0.61682418    0.33692949
 H                  7.56234268    1.08707953    0.59366669
 C                  6.61787221   -0.61637920   -0.33633460
 H                  7.56258092   -1.08652011   -0.59290141
 C                  5.42535789   -1.25170844   -0.68317406
 H                  5.43845238   -2.20207973   -1.20198661
 C                  2.37242075   -2.17093562   -1.18480627
 H                  1.28525244   -2.05154443   -1.11932797
 C                  2.76445769   -2.20612809   -2.66529679
 H                  2.43082998   -1.29234178   -3.16826880
 H                  2.28438161   -3.06286160   -3.14992505
 H                  3.84536589   -2.30183160   -2.80679792
 C                  2.76470107   -3.43596150   -0.41495797
 H                  3.84529734   -3.60847123   -0.42120602
 H                  2.28248507   -4.30610243   -0.87288714
 H                  2.43367509   -3.36478597    0.62652092
 C                  2.37196679    2.17085354    1.18468841
 H                  1.28482203    2.05128212    1.11912582
 C                  2.76387908    2.20613795    2.66521096
 H                  3.84476010    2.30203505    2.80680037
 H                  2.43036989    1.29230033    3.16816973
 H                  2.28360985    3.06279410    3.14978424
 C                  2.76409334    3.43594288    0.41486015
 H                  2.28170097    4.30600640    0.87275009
 H                  2.43315294    3.36470812   -0.62664197
 H                  3.84466021    3.60863260    0.42118532

5

 Sn                -0.31827615    0.00049717   -0.00004344
 Cl                -1.13683559    2.16939886   -0.04897810
 Cl                -1.14323251   -1.12601076   -1.85138240
 Cl                -1.14189268   -1.04065115    1.90114117
 Br                 2.11677545   -0.00203962   -0.00031713

83

 Pd                 0.59318653   -0.39685274    0.79616706
 N                  3.24442420    1.04380200    0.25162333
 C                  6.88988053    1.19698261   -0.61475634
 H                  7.72683754    1.86299864   -0.80256705
 N                  3.54407908   -1.11513175    0.15686525
 C                  7.08107391   -0.19311691   -0.68536006
 H                  8.06342041   -0.58698610   -0.92866756
 C                  6.03173829   -1.08118684   -0.44708039
 H                  6.19160559   -2.15073397   -0.50360281
 N                 -2.32679020   -1.43984057    0.65464994
 N                 -2.22573140    0.57005337    1.49989600
 C                  4.78062911   -0.53997633   -0.13583369
 C                  4.58758041    0.85491325   -0.07050410
 C                  5.64277354    1.74136860   -0.30683269
 H                  5.50829309    2.81457491   -0.25306954
 C                  2.59318839   -0.15745908    0.39699734
 C                  3.23421893   -2.55619329    0.20227837
 H                  2.17339658   -2.57591420    0.47334836
 C                  3.38982169   -3.19968205   -1.17925507
 H                  2.77198455   -2.67266470   -1.91404463
 H                  3.06181352   -4.24369870   -1.13620906
 H                  4.42702558   -3.18673809   -1.52837952
 C                  4.02720205   -3.26541978    1.30445835
 H                  5.10326582   -3.27127096    1.10594412
 H                  3.69400764   -4.30585876    1.38079596
 H                  3.85796262   -2.77634094    2.26957843
 C                  2.55709584    2.33555271    0.42927531
 H                  1.52309324    2.03986510    0.63864578
 C                  2.56947778    3.16484910   -0.85966913
 H                  2.20921533    2.56944286   -1.70510607
 H                  3.56827735    3.53285097   -1.11223703
 H                  1.91471866    4.03501044   -0.73984352
 C                  3.09798439    3.09416697    1.64459757
 H                  2.50997657    4.00510236    1.80027446
 H                  4.14501171    3.38637893    1.51674199
 H                  3.02027303    2.47356629    2.54340955
 C                 -1.44530605   -0.47202454    1.06291149
 C                 -3.58110006    0.28520279    1.34328304
 C                 -3.64720723   -1.01604822    0.80595303
 C                 -4.87769003   -1.61910149    0.52898356
 H                 -4.94204987   -2.61986004    0.12079450
 C                 -6.03415245   -0.88425892    0.79122504
 H                 -7.00276309   -1.32827882    0.58118311
 C                 -5.96752692    0.41712827    1.31637985
 H                 -6.88514069    0.96684252    1.50422909
 C                 -4.74214682    1.01997833    1.60057482
 H                 -4.70216411    2.02558898    2.00057399
 C                 -1.64941481    1.77390430    2.12730009
 H                 -0.57395605    1.56579346    2.12830026
 C                 -1.88844724    3.02602152    1.28124249
 H                 -1.45920275    2.88561570    0.28635108
 H                 -1.40288189    3.88737391    1.75233485
 H                 -2.95204887    3.25511239    1.16511699
 C                 -2.11206886    1.91879296    3.58097571
 H                 -3.18377920    2.12396551    3.66062699
 H                 -1.57512329    2.74909908    4.05174348
 H                 -1.89468636    1.00400040    4.14235212
 C                 -1.87891773   -2.77988898    0.22876573
 H                 -0.78739489   -2.69602339    0.24227861
 C                 -2.30036107   -3.84106321    1.25135331
 H                 -3.38889625   -3.94248501    1.30983608
 H                 -1.92498208   -3.58279301    2.24729916
 H                 -1.88534709   -4.81342313    0.96525337
 C                 -2.31395772   -3.10938868   -1.20105522
 H                 -1.85260860   -4.05427153   -1.50828845
 H                 -1.99083147   -2.32142502   -1.88373276
 H                 -3.39823476   -3.22088882   -1.29398197
 C                 -3.46163376   -0.30449470   -3.25799622
 C                 -4.57816570    0.43252020   -2.88068054
 C                 -0.84096649   -0.26734442   -3.20848496
 C                 -2.17933263    0.21047593   -2.99259855
 C                 -4.44278753    1.68829094   -2.24993856
 C                  0.01148215    0.68107261   -2.70190129
 C                 -2.06694389    1.47894517   -2.35133990
 C                 -3.18939896    2.22990175   -1.98278564
 N                 -0.71948560    1.74203497   -2.20474251
 H                 -3.57265830   -1.27165561   -3.74134347
 H                 -5.57282858    0.03706396   -3.06792155
 H                 -0.54992977   -1.19910922   -3.67379121
 H                 -5.33326692    2.23873332   -1.95970112
 H                  1.09039781    0.69104582   -2.65466408
 H                 -3.08659256    3.19525462   -1.49764296
 H                 -0.32498870    2.54341617   -1.73684348

83

 Pd                -0.39358129   -1.16093521   -0.35248747
 N                  2.73655230   -1.61391736   -0.37061445
 C                  6.20204843   -1.01238954    0.94020118
 H                  7.25775842   -1.19676553    0.76477932
 N                  2.12169593   -0.46649970    1.37828963
 C                  5.80577854   -0.26630544    2.06207776
 H                  6.55898192    0.12044596    2.74206302
 C                  4.45867746   -0.01269354    2.32319446
 H                  4.16501442    0.56138956    3.19314940
 N                 -1.47985101    1.83342047    0.15263177
 N                  0.23550943    1.91292318   -1.18287490
 C                  3.51603174   -0.52518278    1.42722136
 C                  3.91341856   -1.26934348    0.29865559
 C                  5.26375920   -1.52458293    0.04305935
 H                  5.58275388   -2.10158721   -0.81577496
 C                  1.63366346   -1.13067399    0.28357329
 C                  1.24021056    0.20399910    2.35241504
 H                  0.23723550    0.01672909    1.95975893
 C                  1.34217140   -0.44640996    3.73578681
 H                  1.14489692   -1.52110969    3.66638392
 H                  0.59792325   -0.00060705    4.40427327
 H                  2.32800371   -0.30598889    4.18936108
 C                  1.47417246    1.71863476    2.36845753
 H                  2.48149517    1.97771352    2.70754221
 H                  0.75995508    2.19428191    3.04827909
 H                  1.32713746    2.13963506    1.37013825
 C                  2.63291221   -2.45426286   -1.57886114
 H                  1.55821865   -2.47553340   -1.78209158
 C                  3.09769182   -3.88578558   -1.28964456
 H                  2.53175742   -4.30536531   -0.45148458
 H                  4.16317345   -3.93041659   -1.04329640
 H                  2.92780296   -4.51273334   -2.17124818
 C                  3.33923671   -1.82197890   -2.78308512
 H                  3.14945229   -2.43122173   -3.67288190
 H                  4.42251649   -1.75776748   -2.64650319
 H                  2.96007383   -0.81395499   -2.97353771
 C                 -0.58842111    1.04555076   -0.52019148
 C                 -0.12199506    3.24178062   -0.93787217
 C                 -1.23736479    3.18835157   -0.07877711
 C                 -1.86815624    4.35593475    0.36054315
 H                 -2.73482235    4.32469693    1.00926154
 C                 -1.34570957    5.57500392   -0.07173859
 H                 -1.81510545    6.49843230    0.25434643
 C                 -0.22644678    5.62895127   -0.91991614
 H                  0.15880059    6.59350915   -1.23705444
 C                  0.40051666    4.46560021   -1.36699303
 H                  1.26029033    4.52027423   -2.02335189
 C                  1.33316804    1.44753427   -2.04891263
 H                  1.25796057    0.35984395   -1.98805475
 C                  1.10911425    1.86233725   -3.50674403
 H                  0.12684890    1.52413163   -3.85265043
 H                  1.87571316    1.40164096   -4.13907721
 H                  1.16796033    2.94620111   -3.64408189
 C                  2.69977956    1.86807990   -1.49746958
 H                  2.82528527    2.95501822   -1.49328517
 H                  3.49509997    1.44050571   -2.11652523
 H                  2.82989147    1.50162980   -0.47565352
 C                 -2.56952909    1.25877563    0.96277210
 H                 -2.37199974    0.18944098    0.92542793
 C                 -2.50288544    1.70044617    2.42736594
 H                 -2.72039087    2.76419274    2.56107328
 H                 -1.51361359    1.49759796    2.84903031
 H                 -3.24167118    1.13063727    3.00065701
 C                 -3.93427314    1.50284345    0.31428135
 H                 -4.70136150    0.95835193    0.87408163
 H                 -3.93352775    1.12644124   -0.71347317
 H                 -4.20114878    2.56500473    0.29953841
 C                 -3.51941761   -2.02259048    1.48879350
 C                 -4.77029509   -2.09733881    2.09476522
 C                 -2.30973663   -1.95482031   -0.83716998
 C                 -3.42487318   -2.05596880    0.08578198
 C                 -5.94539736   -2.21257410    1.31891534
 C                 -2.87753301   -2.08624958   -2.09039452
 C                 -4.62597136   -2.18993247   -0.67376463
 C                 -5.88809265   -2.26545220   -0.07171578
 N                 -4.26215897   -2.21201581   -1.99962580
 H                 -2.61549340   -1.92754834    2.08673586
 H                 -4.84825951   -2.06896683    3.17872927
 H                 -1.04568909   -2.67682614   -0.46356428
 H                 -6.91107276   -2.26695652    1.81509110
 H                 -2.40770161   -2.09058649   -3.06484435
 H                 -6.79112188   -2.35959683   -0.66970501
 H                 -4.89403421   -2.31429628   -2.77944439

83

 Pd                -0.32456598   -1.19949426   -0.23017197
 N                  2.76424879   -1.53527147   -0.41872373
 C                  6.29883209   -0.85095016    0.63743541
 H                  7.34293780   -1.03244130    0.40099355
 N                  2.25052653   -0.32279739    1.32038920
 C                  5.96797365   -0.06024346    1.75097778
 H                  6.75975601    0.36267297    2.36185285
 C                  4.63929558    0.19193603    2.09015080
 H                  4.39706854    0.80082138    2.95194462
 N                 -1.47154094    1.65852639    0.40879768
 N                  0.05409037    1.78267456   -1.14455114
 C                  3.64696851   -0.36809143    1.27987204
 C                  3.97784098   -1.15449741    0.16040277
 C                  5.31157975   -1.40969314   -0.17327409
 H                  5.58048382   -2.01975895   -1.02608811
 C                  1.70850824   -1.03138852    0.28680904
 C                  1.43137291    0.37186702    2.33229457
 H                  0.40703997    0.14632455    2.03060939
 C                  1.65210337   -0.21632322    3.72947340
 H                  1.48467938   -1.29814411    3.71825442
 H                  0.94063878    0.23611030    4.42832325
 H                  2.66074582   -0.02669347    4.10762387
 C                  1.63603917    1.88929940    2.26494842
 H                  2.66046748    2.17758553    2.51761982
 H                  0.96504854    2.38406739    2.97401482
 H                  1.41041092    2.26439085    1.26276381
 C                  2.59907890   -2.42066327   -1.59108052
 H                  1.51658695   -2.46167297   -1.73165063
 C                  3.09300866   -3.83555165   -1.27327141
 H                  2.57350987   -4.22805986   -0.39318856
 H                  4.16988339   -3.86346752   -1.08033836
 H                  2.88347181   -4.49500646   -2.12181787
 C                  3.23082187   -1.82553601   -2.85373737
 H                  2.99117374   -2.46580867   -3.70885285
 H                  4.31979218   -1.75258691   -2.78526127
 H                  2.83514929   -0.82623274   -3.05603712
 C                 -0.61174014    0.90684348   -0.33808615
 C                 -0.37265762    3.09457143   -0.91860358
 C                 -1.36313698    3.01233784    0.07829415
 C                 -2.01824711    4.15831855    0.53953818
 H                 -2.79095836    4.10804648    1.29589718
 C                 -1.64616304    5.38267683   -0.01420083
 H                 -2.13834389    6.28876116    0.32614317
 C                 -0.64893937    5.46502380   -1.00107021
 H                 -0.37878978    6.43394470   -1.41000672
 C                  0.00125413    4.32390951   -1.46932851
 H                  0.76697862    4.39920062   -2.23106270
 C                  1.06550099    1.34918526   -2.12724779
 H                  1.07128678    0.26237527   -2.02322005
 C                  0.63195208    1.68234964   -3.55827072
 H                 -0.36386915    1.27352917   -3.75851880
 H                  1.33792414    1.23302905   -4.26456420
 H                  0.60754331    2.75928165   -3.74788739
 C                  2.45629870    1.87965156   -1.76403747
 H                  2.50193546    2.97207293   -1.80148933
 H                  3.19660307    1.48852879   -2.46912593
 H                  2.73941763    1.55702146   -0.75785498
 C                 -2.43316363    1.07346149    1.36909229
 H                 -2.20190700    0.00842291    1.35696887
 C                 -2.21813325    1.59701576    2.79282364
 H                 -2.43106864    2.66545694    2.88742813
 H                 -1.19096054    1.42428305    3.12607893
 H                 -2.88939084    1.06066439    3.47144255
 C                 -3.87068930    1.24687183    0.87004489
 H                 -4.54858709    0.68547071    1.52047080
 H                 -3.96261653    0.84728482   -0.14289976
 H                 -4.18309164    2.29626206    0.87109559
 C                 -3.45356713   -2.56749992    1.28244223
 C                 -4.68265075   -2.97192630    1.79675325
 C                 -2.29403383   -1.48004090   -0.79969744
 C                 -3.38203415   -2.02731137   -0.01486905
 C                 -5.86397031   -2.84848565    1.03199653
 C                 -2.89112681   -1.06483697   -1.96944620
 C                 -4.59597549   -1.90664575   -0.76272791
 C                 -5.83528854   -2.31668713   -0.25554591
 N                 -4.26765735   -1.32037562   -1.96106745
 H                 -2.54482586   -2.65867291    1.87420252
 H                 -4.73918101   -3.38945980    2.79932353
 H                 -0.21030360   -2.81110845   -0.13951220
 H                 -6.81211354   -3.17205119    1.45468160
 H                 -2.45775534   -0.57516345   -2.83273562
 H                 -6.74514251   -2.21493860   -0.84264218
 H                 -4.91073731   -1.12058425   -2.71210552

102

 Pd                 0.47969533    0.63144422   -0.62331273
 N                 -2.18121779   -0.92012552   -1.03911046
 C                 -4.88882309   -3.30891618   -0.02816507
 H                 -5.80130758   -3.79929235   -0.35337886
 N                 -1.41788246   -1.28630958    0.97217385
 C                 -4.39490231   -3.55182573    1.26502171
 H                 -4.92780407   -4.23086742    1.92364558
 C                 -3.22972791   -2.93577063    1.72196883
 H                 -2.85950065   -3.13104372    2.72031930
 N                  2.88900169   -0.83445713    0.76952402
 N                  2.03517790   -2.09161787   -0.79458725
 C                 -2.57018528   -2.06786747    0.84650271
 C                 -3.06305076   -1.82768141   -0.44975700
 C                 -4.23193687   -2.44533596   -0.90326274
 H                 -4.63038396   -2.25550306   -1.89135340
 C                 -1.17477598   -0.58698616   -0.17835042
 C                 -0.52759194   -1.23196280    2.14868607
 H                  0.23278176   -0.50496667    1.85901203
 C                 -1.24693020   -0.69399627    3.39003485
 H                 -1.67027262    0.29518844    3.19582805
 H                 -0.52565208   -0.59845384    4.20850119
 H                 -2.05071897   -1.35337769    3.72837815
 C                  0.15442470   -2.58434332    2.38436318
 H                 -0.56653643   -3.36697744    2.63854493
 H                  0.86519126   -2.50073466    3.21238734
 H                  0.70437514   -2.89883157    1.49343594
 C                 -2.31213770   -0.33523581   -2.39150896
 H                 -1.42451015    0.29454916   -2.48428783
 C                 -3.54798538    0.56489082   -2.48006032
 H                 -3.49476517    1.35797296   -1.73066690
 H                 -4.47715113    0.01047136   -2.31823275
 H                 -3.59208749    1.02263889   -3.47406233
 C                 -2.25939079   -1.40985852   -3.48257830
 H                 -2.24017863   -0.92228237   -4.46264744
 H                 -3.12500197   -2.07779852   -3.45876757
 H                 -1.35662520   -2.02016313   -3.38840575
 C                  1.91343878   -0.87858812   -0.18347496
 C                  3.08388804   -2.82959207   -0.23798151
 C                  3.63922506   -2.01409370    0.76682079
 C                  4.72947506   -2.44899629    1.52649056
 H                  5.17389386   -1.82803841    2.29380575
 C                  5.23730472   -3.72020031    1.26014994
 H                  6.08364973   -4.08304683    1.83558651
 C                  4.67539924   -4.53747134    0.26457251
 H                  5.09123057   -5.52408728    0.08375072
 C                  3.59216216   -4.10516242   -0.49995762
 H                  3.16764362   -4.74302609   -1.26518325
 C                  1.16481877   -2.50697040   -1.91113337
 H                  0.52318543   -1.63742574   -2.06906124
 C                  1.97284267   -2.73438945   -3.19248358
 H                  2.57510279   -1.84941024   -3.42320525
 H                  1.28657457   -2.91158362   -4.02716819
 H                  2.64142614   -3.59682361   -3.11836305
 C                  0.28278695   -3.69577905   -1.51599517
 H                  0.87436016   -4.58281583   -1.27056423
 H                 -0.38248072   -3.95463275   -2.34584535
 H                 -0.33578603   -3.44296974   -0.64966934
 C                  3.13437323    0.35310678    1.61744796
 H                  2.34528058    1.04901869    1.32903970
 C                  2.98240050    0.03479617    3.10861536
 H                  3.74475361   -0.66118270    3.46988309
 H                  2.00049011   -0.39598288    3.32351398
 H                  3.07836758    0.96297300    3.68141206
 C                  4.47889496    1.00084210    1.27282172
 H                  4.57584662    1.94361215    1.82066111
 H                  4.52288468    1.22063364    0.20339820
 H                  5.32509441    0.36055167    1.54246978
 C                  1.79996167    3.91041590    0.51746286
 C                  2.40466145    5.09243817    0.93649345
 C                  2.02092325    1.90410301   -1.14791160
 C                  2.37745540    3.16146648   -0.52339503
 C                  3.59492876    5.55144442    0.32926754
 C                  3.01504457    1.69108782   -2.07754036
 C                  3.58674425    3.64547983   -1.11471425
 C                  4.19951271    4.83555678   -0.70230711
 N                  3.95626069    2.72818204   -2.06890394
 H                  0.88603110    3.55263148    0.98385777
 H                  1.95837892    5.67405019    1.73995767
 H                 -0.51291226    1.85537982   -0.96000914
 H                  4.04888962    6.47794129    0.67272314
 H                  3.16280815    0.85915558   -2.75513481
 H                  5.11859947    5.18593101   -1.16646317
 H                  4.75620953    2.80552759   -2.67852768
 H                 -7.33764688    2.47247246   -0.51461067
 H                 -5.38008799    3.94183083   -0.26288970
 C                 -6.43231462    2.08433955   -0.05495462
 C                 -5.31949132    2.91282995    0.07855198
 H                 -2.39868096    2.73793280    2.81136781
 C                 -6.39259150    0.76649441    0.41224924
 H                 -7.26071721    0.12092155    0.31003190
 C                 -4.12899162    2.44480533    0.66844542
 C                 -2.92169086    3.30651814    0.78035988
 C                 -1.91374262    2.95926076    1.85287810
 C                 -2.69498891    4.33119519   -0.05854772
 H                 -1.20709887    3.78017773    2.00431825
 C                 -5.22912621    0.29169178    1.01924929
 C                 -4.11494082    1.12227454    1.14681059
 H                 -3.35856044    4.56835522   -0.88491920
 H                 -1.80950217    4.95254128    0.04376904
 H                 -5.17887878   -0.72989004    1.38346899
 H                 -3.21494152    0.72112438    1.59637338
 H                 -1.33072603    2.07739985    1.55557850

102

 Pd                 0.57181504   -1.10245857    1.03469374
 N                 -0.35098156    1.79659752    1.44418479
 C                 -0.74015716    5.34591457    0.28963779
 H                 -0.97799930    6.35696475    0.60605106
 N                  0.10530983    1.40802655   -0.65949116
 C                 -0.41520534    5.09902405   -1.05506797
 H                 -0.40720256    5.92166032   -1.76353967
 C                 -0.12055965    3.81269547   -1.50361828
 H                  0.10286262    3.62860666   -2.54605856
 N                  3.12103060   -1.63712727   -0.61604943
 N                  3.48270115    0.10770464    0.64445568
 C                 -0.14473468    2.77998814   -0.56332270
 C                 -0.44934032    3.02894285    0.78789343
 C                 -0.76531199    4.31643439    1.23088964
 H                 -1.02256788    4.51952588    2.26245802
 C                 -0.00897884    0.81663647    0.56009453
 C                  0.38639108    0.65197372   -1.89747408
 H                  0.51405818   -0.37367756   -1.54353614
 C                 -0.82099573    0.68880167   -2.83742334
 H                 -1.71494697    0.31580528   -2.33044487
 H                 -0.61976321    0.05821463   -3.71047691
 H                 -1.04583460    1.69989790   -3.18669027
 C                  1.70022492    1.10333733   -2.54306248
 H                  1.64534408    2.12638884   -2.92499885
 H                  1.93497764    0.44624372   -3.38632763
 H                  2.52449909    1.04668492   -1.82633014
 C                 -0.62856828    1.53636774    2.87338866
 H                 -0.38265885    0.47852266    2.99396491
 C                 -2.11788029    1.72803722    3.17407934
 H                 -2.71536276    1.06123169    2.54791513
 H                 -2.43942608    2.75932093    2.99733690
 H                 -2.31420067    1.48662991    4.22415041
 C                  0.28307922    2.35077629    3.79762678
 H                  0.12245713    2.02501362    4.83032674
 H                  0.07724611    3.42327241    3.75093512
 H                  1.33752591    2.19582108    3.55346377
 C                  2.56920814   -0.87284622    0.37854716
 C                  4.61196925   -0.02509807   -0.16625483
 C                  4.37942716   -1.15336161   -0.97738506
 C                  5.32800854   -1.57686131   -1.91371141
 H                  5.16454449   -2.44466397   -2.54001900
 C                  6.50706297   -0.83912664   -2.01741427
 H                  7.26066609   -1.14484686   -2.73685744
 C                  6.73673732    0.28839771   -1.21095561
 H                  7.66460237    0.84226991   -1.31688612
 C                  5.79533412    0.71200041   -0.27317323
 H                  5.98422923    1.58117852    0.34412061
 C                  3.26677324    1.13003289    1.68423926
 H                  2.28256775    0.88032537    2.08340320
 C                  4.28759631    0.99482325    2.81854859
 H                  4.27520476   -0.02204189    3.22419674
 H                  4.03142341    1.69179310    3.62351200
 H                  5.30523243    1.22274973    2.48816725
 C                  3.20287081    2.53828839    1.08413906
 H                  4.16877772    2.85964049    0.68394962
 H                  2.90559791    3.25280248    1.85831853
 H                  2.46507636    2.58240978    0.27882026
 C                  2.47454232   -2.86326621   -1.12961873
 H                  1.51677969   -2.89867321   -0.59855320
 C                  2.18101427   -2.77541006   -2.62996861
 H                  3.09338782   -2.73084684   -3.23134515
 H                  1.57774929   -1.89289536   -2.85957008
 H                  1.61826303   -3.66257440   -2.93770914
 C                  3.27920119   -4.10737388   -0.73927430
 H                  2.73315720   -5.00594388   -1.04416170
 H                  3.42422287   -4.14080756    0.34556443
 H                  4.26194763   -4.12825888   -1.21991482
 C                 -1.75610927   -3.19650487   -0.65826016
 C                 -2.59112966   -4.15747032   -1.22069555
 C                 -1.24584657   -1.88352915    1.55811665
 C                 -1.94601319   -2.80933616    0.68133174
 C                 -3.62667105   -4.74981543   -0.46475643
 C                 -1.95635782   -1.93328094    2.74617398
 C                 -3.00863288   -3.41384210    1.41574830
 C                 -3.84832882   -4.38699661    0.86191803
 N                 -2.98360696   -2.86672388    2.68114153
 H                 -0.96274774   -2.73765782   -1.24443607
 H                 -2.45094284   -4.45640995   -2.25656808
 H                 -3.54836867   -0.57948250    1.13789545
 H                 -4.26414923   -5.49982144   -0.92598383
 H                 -1.81250213   -1.37891715    3.66476916
 H                 -4.64464073   -4.84274402    1.44515420
 H                 -3.65372286   -3.05503773    3.41199678
 H                 -2.95041592    3.92343927   -0.74408741
 H                 -3.63459167    1.92340005    0.44293522
 C                 -3.40087853    3.10939743   -1.30538435
 C                 -3.79708231    1.96928793   -0.62852725
 H                 -5.86006747   -1.28461781   -2.25045074
 C                 -3.54680188    3.22262638   -2.69813642
 H                 -3.22108123    4.11681504   -3.22203749
 C                 -4.40388779    0.84543797   -1.30115874
 C                 -4.83410076   -0.29365576   -0.59615078
 C                 -5.42389397   -1.50208318   -1.26951678
 C                 -4.61108090   -0.40463980    0.88261017
 H                 -6.22018265   -1.94319041   -0.65202958
 C                 -4.11161747    2.13881387   -3.39202590
 C                 -4.52368439    0.99238992   -2.73115282
 H                 -4.91371503    0.49910537    1.43340199
 H                 -5.16460693   -1.25002292    1.30588722
 H                 -4.22556976    2.19232655   -4.47397163
 H                 -4.94107884    0.17939670   -3.31713327
 H                 -4.68226570   -2.30614074   -1.41313706


102

 Pd                -0.27942705   -0.83226147   -0.20416547
 N                  2.71999478    0.05188548   -0.84689223
 C                  5.69225330    2.30163282   -0.41769141
 H                  6.62229401    2.63258351   -0.87004870
 N                  2.06931478    0.93049641    1.03817603
 C                  5.29396863    2.83592830    0.81919460
 H                  5.92273106    3.57003785    1.31396395
 C                  4.09868358    2.44771952    1.42231369
 H                  3.80009293    2.87397161    2.37118858
 N                 -2.07094276    1.61599393    0.77514303
 N                 -0.90939549    2.19198700   -0.97408976
 C                  3.31186348    1.50303699    0.75519481
 C                  3.72290649    0.94868097   -0.46924822
 C                  4.91452813    1.35295086   -1.07975553
 H                  5.22854325    0.95752592   -2.03646569
 C                  1.69464830    0.04517900    0.06428741
 C                  1.23705100    1.24664641    2.21318243
 H                  0.34628635    0.63290144    2.06705360
 C                  1.91449848    0.81531956    3.51840198
 H                  2.21183215   -0.23450946    3.46930679
 H                  1.21272344    0.94141717    4.34980749
 H                  2.80394466    1.41290536    3.73808862
 C                  0.82539877    2.72430816    2.22043526
 H                  1.67499634    3.38440882    2.41401302
 H                  0.08494441    2.89750654    3.00655811
 H                  0.38284262    3.01175274    1.26444073
 C                  2.79657934   -0.85476054   -2.01313124
 H                  1.97699806   -1.55067804   -1.84753179
 C                  4.11691296   -1.64029623   -2.03773878
 H                  4.41474163   -1.94861431   -1.03507030
 H                  4.93033825   -1.06663733   -2.49072244
 H                  3.97660175   -2.54256798   -2.64121267
 C                  2.57233232   -0.12471645   -3.34286322
 H                  2.72672712   -0.82869209   -4.16752543
 H                  3.27836472    0.70241394   -3.47035155
 H                  1.55767883    0.26756598   -3.42680748
 C                 -1.16845720    1.14560727   -0.13793076
 C                 -1.63055400    3.32924194   -0.60266969
 C                 -2.37578961    2.95898372    0.53040331
 C                 -3.19860142    3.88282986    1.18330530
 H                 -3.77122890    3.61737185    2.06248566
 C                 -3.25959410    5.17510078    0.66389799
 H                 -3.89069203    5.91181625    1.15175291
 C                 -2.52139935    5.54055930   -0.47485065
 H                 -2.59106323    6.55492181   -0.85590616
 C                 -1.69560478    4.62472612   -1.12471918
 H                 -1.12854154    4.91751446   -1.99920434
 C                 -0.00769209    2.08018317   -2.13089533
 H                  0.34514855    1.05118625   -2.06669948
 C                 -0.77380981    2.24320856   -3.44737778
 H                 -1.60899435    1.53684047   -3.48954732
 H                 -0.10263350    2.03968971   -4.28857443
 H                 -1.17065342    3.25511391   -3.57193803
 C                  1.19749471    3.01664394   -2.00273518
 H                  0.91470541    4.06952711   -2.08948762
 H                  1.91612200    2.79587191   -2.79759330
 H                  1.69781266    2.87304606   -1.04146779
 C                 -2.73881934    0.76495297    1.78239613
 H                 -2.32077396   -0.22514235    1.60245337
 C                 -2.40297531    1.18259917    3.21812694
 H                 -2.71178167    2.20897095    3.43695937
 H                 -1.33209156    1.09816418    3.41751394
 H                 -2.92739235    0.51867622    3.91329409
 C                 -4.24834469    0.70869368    1.52162053
 H                 -4.69638406   -0.05133879    2.16692836
 H                 -4.44161940    0.41901483    0.48557914
 H                 -4.73926650    1.66490673    1.72294465
 C                 -3.66216173   -2.46910816    1.04839945
 C                 -4.92576439   -2.97822939    1.32938997
 C                 -2.15687015   -1.46734612   -0.87078284
 C                 -3.34264074   -2.04147624   -0.25650000
 C                 -5.90980553   -3.07839088    0.32130125
 C                 -2.51969681   -1.27677201   -2.18859960
 C                 -4.36233654   -2.16315837   -1.25609410
 C                 -5.63856192   -2.67245342   -0.98214061
 N                 -3.83150021   -1.69188308   -2.43064770
 H                 -2.91815830   -2.39852793    1.83656745
 H                 -5.16237372   -3.30395702    2.33956260
 H                  0.99397965   -3.20436519   -2.21487131
 H                 -6.89075066   -3.47890980    0.56489313
 H                 -1.94356946   -0.86945012   -3.01002803
 H                 -6.39090639   -2.74783482   -1.76393225
 H                 -4.30709340   -1.66276659   -3.31981136
 H                  4.81278265   -4.61556526    0.10604615
 H                  2.66472955   -4.31127530   -1.02609759
 C                  4.03264710   -4.03667520    0.59610177
 C                  2.80159187   -3.85940016   -0.04966492
 H                 -0.21663881   -4.78549003    0.96710965
 C                  4.26351078   -3.47572180    1.84991817
 H                  5.21841165   -3.60911585    2.35162892
 C                  1.76140994   -3.11064477    0.52760823
 C                  0.38912225   -2.97407141   -0.09821412
 C                 -0.57723692   -3.74973041    0.82658299
 C                  0.29280381   -3.62626299   -1.48445160
 H                 -1.57648982   -3.80186539    0.39509528
 C                  3.23557046   -2.73983874    2.45603679
 C                  2.01727873   -2.56832165    1.80753895
 H                  0.49054543   -4.71333939   -1.44256772
 H                 -0.71507169   -3.48732368   -1.88450252
 H                  3.39082883   -2.30120994    3.43949360
 H                  1.23403574   -1.98613221    2.28511482
 H                 -0.66429632   -3.30179424    1.82240815

26

 Sn                -1.59211872    0.14960666    0.01144538
 Pd                 0.89470629   -0.41347882   -0.06092030
 Cl                -1.98752667    2.50431744    0.19081032
 Cl                -2.94148195   -0.42088164   -1.84893610
 Cl                -2.84081507   -0.67844040    1.84477200
 Cl                 0.04652020   -2.63015019   -0.19371996
 C                  1.61590616    1.62237046   -0.70107932
 H                  0.72988657    2.10667814   -1.11066891
 C                  1.71211571    1.58574238    0.68579029
 H                  0.87224310    2.00842986    1.23405594
 C                  3.24011725   -0.90226111   -0.65674439
 H                  3.07421864   -1.75637898   -1.31102714
 C                  2.69937133    1.35779551   -1.72129181
 H                  3.15935392    2.32023810   -1.98992811
 H                  2.20761694    0.99582416   -2.63113759
 C                  3.05535706   -1.10388169    0.68591567
 H                  2.80208320   -2.11515983    0.99951823
 C                  3.79478545    0.34875045   -1.30526463
 H                  4.52152620    0.82203076   -0.64152728
 H                  4.34251900    0.05683262   -2.20642487
 C                  2.98074481    1.35863844    1.49501835
 H                  3.82010954    1.82601680    0.97407792
 H                  2.87336818    1.89115171    2.44420823
 C                  3.29234355   -0.12332993    1.81357184
 H                  4.33207082   -0.21198455    2.15912177
 H                  2.66616198   -0.43930163    2.65455425

21

 Pd                -1.41186885   -0.06334919   -0.33947781
 C                  1.57947344   -1.11843008   -1.05614090
 H                  1.46222782   -1.73256332   -1.95050522
 C                  1.94854452    0.15583217   -1.24538603
 H                  2.07264156    0.48923424   -2.27629546
 C                 -0.21224227   -0.10935983    1.45027230
 H                 -0.94678297   -0.27581609    2.24089606
 C                  1.30603094   -1.87212772    0.22511511
 H                  2.16997294   -2.52131297    0.44349399
 H                  0.47360924   -2.56006469    0.02078571
 C                 -0.21742184    1.19322147    0.90566928
 H                 -0.96725461    1.86755679    1.33034395
 C                  0.95928865   -1.09015989    1.51115033
 H                  1.85083488   -0.57660474    1.88839601
 H                  0.71838537   -1.84342315    2.27119213
 C                  2.18354488    1.21018841   -0.19191990
 H                  2.67956086    0.78098005    0.68201248
 H                  2.88197744    1.95525009   -0.59362594
 C                  0.91870029    1.97357330    0.26208138
 H                  1.24175555    2.73982014    0.98591372
 H                  0.51352735    2.53457944   -0.59167756

5

 Sn                -0.00000000    0.00000000   -0.00000000
 Cl                 0.00000000    1.88207883    1.34281655
 Cl                -0.00000000   -1.88207883    1.34281655
 Cl                 1.88207883   -0.00000000   -1.34281655
 Cl                -1.88207883    0.00000000   -1.34281655

37

 Pd                -0.74347648   -1.12012761   -0.36276339
 C                 -2.84871467   -0.48563802   -0.21761132
 H                 -3.33476212   -1.40376301   -0.55955355
 C                 -2.35737623   -0.51718677    1.08389846
 H                 -2.50524836   -1.45738581    1.61541879
 C                 -1.20608257    2.24535991   -0.62845555
 H                 -0.74442798    2.59625340   -1.55227652
 C                 -3.20960712    0.70728102   -1.08851610
 H                 -4.30918566    0.74851204   -1.15110287
 H                 -2.86905569    0.50163893   -2.11367195
 C                 -0.38074273    1.93445022    0.38047616
 H                  0.68477330    2.07820138    0.20512803
 C                 -2.70863781    2.10805207   -0.66957985
 H                 -3.15483730    2.38279808    0.28939718
 H                 -3.10771845    2.82427474   -1.39899097
 C                 -2.02732918    0.66033162    1.99809610
 H                 -2.85373470    1.37864122    1.98398639
 H                 -1.99256642    0.27892636    3.02581319
 C                 -0.68913069    1.39436406    1.75702085
 H                 -0.61689331    2.21724278    2.48718637
 H                  0.12577554    0.70539796    2.01505222
 H                  3.56833992    2.48657151   -1.78223718
 C                  3.25924606    1.68619024   -1.11564777
 H                  4.13119896    2.62679601    0.62542707
 C                  3.58106610    1.76612236    0.25523089
 C                  2.54652626    0.60273036   -1.62306363
 C                  3.20926417    0.76009488    1.14475204
 H                  2.28622592    0.55330365   -2.67707087
 C                  2.14949927   -0.41840999   -0.74797612
 H                  3.45712718    0.81909959    2.20068207
 C                  2.50722954   -0.33220867    0.62548238
 C                  1.36922473   -1.63473610   -0.90831820
 N                  2.02778896   -1.46551443    1.25811657
 C                  1.31129317   -2.23713858    0.35872627
 H                  1.17193942   -2.14231012   -1.84820785
 H                  2.02742429   -1.61033595    2.25724663
 H                  1.00665090   -3.23734348    0.63098601

37

 Pd                -0.71438864   -0.57389488   -0.52873708
 C                 -2.67761385    0.46261820   -1.39178748
 H                 -2.46599843    0.31992830   -2.45121834
 C                 -3.16724940   -0.61430469   -0.70631026
 H                 -3.27170941   -1.54479355   -1.26226642
 C                 -1.35340424    1.27958737    1.25532320
 H                 -0.36222840    1.72144668    1.34789357
 C                 -2.57180246    1.90170849   -0.93010470
 H                 -3.45493073    2.45709797   -1.28172697
 H                 -1.71412689    2.34751442   -1.44907902
 C                 -1.53861501    0.05554452    1.80693153
 H                 -0.69385909   -0.37661369    2.34222504
 C                 -2.40680958    2.14319342    0.59263177
 H                 -3.36693826    2.01663819    1.09820455
 H                 -2.13066125    3.19486035    0.72991236
 C                 -3.79556229   -0.59940177    0.67812189
 H                 -4.37484923    0.31822827    0.80735946
 H                 -4.51933127   -1.42017402    0.73348946
 C                 -2.80481175   -0.77251781    1.85769303
 H                 -3.33961518   -0.57500591    2.79913684
 H                 -2.50153463   -1.82573219    1.90291709
 H                  3.37744779    3.26520501   -0.25708918
 C                  3.38985409    2.18592320   -0.12872271
 H                  5.45446666    2.15920018    0.52127543
 C                  4.57381441    1.55658835    0.31492347
 C                  2.24403277    1.44464207   -0.39963343
 C                  4.63395264    0.17701283    0.49343246
 H                  1.33035343    1.92874196   -0.73652430
 C                  2.27067438    0.04863015   -0.23219255
 H                  5.54369970   -0.30856378    0.83675710
 C                  3.47882961   -0.56358515    0.21485089
 C                  1.28130006   -0.99763159   -0.39378962
 N                  3.24152726   -1.91837931    0.29976703
 C                  1.93354242   -2.17448598   -0.08162924
 H                  0.23487455   -1.24367599   -1.62960874
 H                  3.91589974   -2.61534395    0.57875044
 H                  1.56943660   -3.19226862   -0.10530118

37

 Pd                -0.78018070   -0.56293307   -0.61327621
 C                 -2.77868085    0.52122051   -1.29112523
 H                 -2.68736120    0.38315252   -2.36784352
 C                 -3.22392627   -0.54858114   -0.56512914
 H                 -3.41467164   -1.46937762   -1.11352750
 C                 -1.10783175    1.22042057    1.17069030
 H                 -0.09807856    1.62491020    1.18163460
 C                 -2.56464568    1.94769293   -0.82839456
 H                 -3.46398724    2.53885801   -1.05833293
 H                 -1.76316815    2.37144014   -1.44574243
 C                 -1.28192151   -0.00913949    1.72731837
 H                 -0.40287932   -0.47591692    2.16875646
 C                 -2.19534415    2.14855381    0.66293908
 H                 -3.08606590    2.05549733    1.28847158
 H                 -1.84926931    3.18118075    0.78091702
 C                 -3.68833868   -0.53331730    0.88238821
 H                 -4.20340384    0.40712389    1.09223451
 H                 -4.43790041   -1.32193649    1.00849665
 C                 -2.57121423   -0.77710103    1.92731800
 H                 -2.96869975   -0.56610556    2.93143407
 H                 -2.31780190   -1.84392776    1.92442099
 H                  3.44245694    3.23142513   -0.24723477
 C                  3.41746728    2.15197966   -0.12095565
 H                  5.50504696    2.04040522    0.44242169
 C                  4.59340119    1.47427132    0.26957408
 C                  2.23422034    1.45692768   -0.35080178
 C                  4.60710651    0.09122379    0.43020992
 H                  1.33541915    1.98106607   -0.66760025
 C                  2.20599198    0.05899490   -0.18644997
 H                  5.51315707   -0.43326750    0.72327436
 C                  3.41317353   -0.60302419    0.19779162
 C                  1.17635910   -0.94847323   -0.33061030
 N                  3.13313804   -1.94789999    0.26695075
 C                  1.79592525   -2.14860968   -0.06298685
 H                 -0.52469055   -1.36720743   -1.93272080
 H                  3.79148810   -2.67178142    0.51301034
 H                  1.39630327   -3.15355203   -0.07067594

56

Pd                -0.43164729   -0.83044131   -0.50749323
 C                 -0.93652447   -3.10266817   -1.15954288
 H                 -0.75334930   -2.99257851   -2.22778967
 C                  0.15544869   -3.27350374   -0.35840067
 H                  1.12902901   -3.25020127   -0.84422325
 C                 -2.18502784   -1.61250983    1.21795075
 H                 -2.81804075   -0.72901230    1.17013347
 C                 -2.40139905   -3.21855642   -0.79033939
 H                 -2.75128835   -4.23291446   -1.03533482
 H                 -2.95713150   -2.54372933   -1.45272223
 C                 -0.98879646   -1.47985135    1.84957793
 H                 -0.76836035   -0.50790458    2.28891117
 C                 -2.78551409   -2.89599970    0.67638837
 H                 -2.52421150   -3.73370452    1.32711297
 H                 -3.87686904   -2.80998686    0.71799895
 C                  0.15417530   -3.70116486    1.09963127
 H                 -0.64626476   -4.42569451    1.26733558
 H                  1.08945265   -4.23563294    1.29897766
 C                  0.05035116   -2.54548275    2.12549251
 H                 -0.12198598   -2.97188045    3.12508676
 H                  1.02264781   -2.04445980    2.18096352
 H                 -5.39511874    1.90265574   -0.75021350
 C                 -4.38653929    2.24076839   -0.52565395
 H                 -5.02504895    4.26017306   -0.07565959
 C                 -4.17671897    3.58389240   -0.14330751
 C                 -3.32189909    1.34951919   -0.62122492
 C                 -2.89925597    4.05884532    0.14370450
 H                 -3.48641838    0.31829427   -0.92606167
 C                 -2.01715135    1.79064336   -0.32968986
 H                 -2.73517497    5.09387920    0.43340220
 C                 -1.83175497    3.15807645    0.04553176
 C                 -0.71882028    1.15056956   -0.31349540
 N                 -0.48473462    3.33874254    0.25864040
 C                  0.17784496    2.13597953    0.03197766
 H                  0.30522737   -0.37496136   -1.80908236
 H                 -0.04610799    4.20289479    0.53937861
 H                  1.24923712    2.08642795    0.15251285
 H                  4.32596770   -1.80018041   -1.20165915
 C                  3.59766055   -1.29989792   -1.85144767
 C                  3.82491824    2.44415392    1.43141670
 C                  3.96317440    1.96751790    0.12887347
 H                  4.44954150    2.59112755   -0.61496969
 H                  3.82972300   -1.54601807   -2.89168699
 H                  4.19086362    3.43639799    1.68168870
 C                  3.23105120    1.64654893    2.41505221
 C                  3.49857668    0.68776529   -0.23376115
 C                  3.59108936    0.19656241   -1.63462780
 C                  2.79191843    0.36493833    2.08041406
 C                  2.93017291   -0.11120079    0.77525728
 H                  3.12342975    2.01656954    3.43080524
 C                  3.62692878    1.03734612   -2.68198347
 H                  2.61133289   -1.72255262   -1.62364118
 H                  2.33566149   -0.26634851    2.83814196
 H                  3.70732560    0.66304817   -3.69885524
 H                  2.56463146   -1.10343848    0.53613307
 H                  3.55676438    2.11508369   -2.56924038

56

 Pd                 1.42926434    0.34530677    0.08109465
 C                  3.15697760    0.90028120   -1.38791624
 H                  2.56263141    1.39170286   -2.15833502
 C                  3.42655798    1.62745434   -0.25783266
 H                  2.99584330    2.62643664   -0.20554480
 C                  3.29966283   -1.59307683    0.41479330
 H                  2.64920495   -2.46126179    0.32330890
 C                  3.75612340   -0.42014269   -1.82901941
 H                  4.57527264   -0.22074925   -2.53743492
 H                  2.98634322   -0.94878516   -2.40572626
 C                  3.18058138   -0.84918729    1.54246313
 H                  2.48275640   -1.20848707    2.29749497
 C                  4.27615288   -1.36943815   -0.71935454
 H                  5.22940679   -1.00371331   -0.33025828
 H                  4.49347326   -2.33499824   -1.19028348
 C                  4.46228531    1.30102095    0.80840078
 H                  5.35068854    0.87429756    0.33581771
 H                  4.79033879    2.24166072    1.26469873
 C                  3.97202271    0.37592029    1.95060864
 H                  4.84036220    0.07069351    2.55441733
 H                  3.33484757    0.96411122    2.62218809
 H                 -0.92527646   -4.57839777   -1.62947372
 C                 -1.27087484   -3.80403040   -0.94872691
 H                 -3.20696877   -4.73289062   -0.67031237
 C                 -2.56960349   -3.89401679   -0.40175091
 C                 -0.43507336   -2.73565867   -0.63334831
 C                 -3.04951846   -2.92298492    0.47526608
 H                  0.55981621   -2.66003202   -1.06762865
 C                 -0.88697982   -1.73452191    0.24586071
 H                 -4.05147671   -2.98682865    0.89262362
 C                 -2.20146594   -1.85624604    0.79348275
 C                 -0.30993279   -0.49328104    0.72420655
 N                 -2.40134371   -0.77146687    1.61967000
 C                 -1.27565241    0.05169977    1.54103261
 H                  0.02746497    0.86792192   -1.40915983
 H                 -3.31447860   -0.44807450    1.90978879
 H                 -1.28161544    0.99083692    2.07574535
 H                  0.05251711    3.71479162   -0.56554647
 C                 -0.60080267    2.99287947   -0.06372911
 C                 -4.64532261    0.20768705   -0.76834835
 C                 -3.40326029    0.66633849   -1.19119051
 H                 -2.87566243    0.10162033   -1.95062832
 H                  0.14171984    2.18759197    0.32442567
 H                 -5.06314832   -0.68753610   -1.22053172
 C                 -5.34092872    0.86864413    0.24987895
 C                 -2.79150308    1.80317099   -0.60102096
 C                 -1.46519730    2.23976641   -0.97843560
 C                 -4.77530471    2.01428703    0.82604901
 C                 -3.53348199    2.47589813    0.40680063
 H                 -6.31045346    0.50713546    0.58051243
 C                 -0.68635627    1.58502510   -2.01621332
 H                 -1.07681098    3.45614520    0.80126811
 H                 -5.31063014    2.55152279    1.60472541
 H                  0.02507436    2.25217715   -2.51331261
 H                 -3.12910816    3.37318839    0.86312103
 H                 -1.22351792    0.99114518   -2.75574158

56

 Pd                 0.36051811    0.63077528    0.19826626
 C                  1.20977899    2.77496405    1.12831777
 H                  1.42898209    2.42107319    2.13234266
 C                  2.13040311    2.50242899    0.16283007
 H                  2.99944374    1.92066867    0.46056087
 C                 -0.88758377    2.49902234   -1.07379209
 H                 -1.87707038    2.05779944   -0.97659574
 C                 -0.01599226    3.65978948    1.04550513
 H                  0.23762558    4.65750592    1.43507114
 H                 -0.76016581    3.24931027    1.73917915
 C                 -0.01868013    1.87706601   -1.91635090
 H                 -0.39874000    1.01241515   -2.45722885
 C                 -0.67171162    3.81140714   -0.34705962
 H                 -0.08757672    4.49491630   -0.96759304
 H                 -1.64625026    4.29139896   -0.20417954
 C                  2.18483531    3.08151192   -1.23975243
 H                  1.85579645    4.12310666   -1.22227612
 H                  3.23236541    3.10237988   -1.56003832
 C                  1.38581504    2.28709105   -2.30005659
 H                  1.35512855    2.86813974   -3.23413191
 H                  1.93778283    1.36918308   -2.53627374
 H                 -5.16075420    0.83337041    1.49417263
 C                 -4.58284799    0.14943412    0.87748502
 H                 -6.32644303   -0.98449421    0.27550653
 C                 -5.24768774   -0.88621811    0.18423791
 C                 -3.20269036    0.30179099    0.78209476
 C                 -4.54473816   -1.78672340   -0.61293701
 H                 -2.68944118    1.09705572    1.31890957
 C                 -2.45936879   -0.58569514   -0.01832167
 H                 -5.05578866   -2.58518291   -1.14545295
 C                 -3.15642704   -1.62873628   -0.70542379
 C                 -1.05292319   -0.71099113   -0.33092782
 N                 -2.21479885   -2.35153301   -1.40063935
 C                 -0.95704517   -1.79351908   -1.17222140
 H                 -0.35992276   -0.62936781    3.04200574
 H                 -2.40432283   -3.15058952   -1.98669487
 H                 -0.08328526   -2.24854187   -1.61619021
 H                  2.71839242   -0.91321552    3.05987530
 C                  2.22721037   -0.14945267    2.43533743
 C                  2.06271524   -4.09194778   -0.30907850
 C                  1.43365648   -3.17888777    0.54324765
 H                  0.59872425   -3.52051307    1.14394724
 H                  1.75573856    0.56717750    3.11580398
 H                  1.70815113   -5.11953399   -0.34463266
 C                  3.13332490   -3.69439631   -1.11020331
 C                  1.85007344   -1.83722975    0.62330847
 C                  1.18179922   -0.83035225    1.53098308
 C                  3.57234740   -2.36701120   -1.04021504
 C                  2.94562610   -1.46272596   -0.18615708
 H                  3.62029517   -4.40267880   -1.77520681
 C                  0.10397917   -1.42295248    2.44585630
 H                  3.01955323    0.36800316    1.88908899
 H                  4.40693186   -2.03562472   -1.65371731
 H                  0.54638837   -2.14823675    3.15025728
 H                  3.29682924   -0.43511836   -0.16336432
 H                 -0.69182029   -1.92133909    1.89084463

78

 Sn                 2.89753780    2.39355990   -0.01883394
 Pd                 1.56636529    0.39173764    0.75767537
 Br                -0.38550230    1.80562109    1.67236823
 Cl                 1.82812674    4.33586856   -0.86753996
 Cl                 4.21931160    3.30500363    1.74430935
 Cl                 4.56835612    2.04425303   -1.68667912
 N                  2.85323310   -1.27877441   -1.33295322
 N                  4.07340370   -1.26138093    0.49383666
 C                  1.72646270   -0.97763733   -2.24877139
 H                  1.19045205   -0.16892282   -1.74204990
 C                  2.97067256   -0.74781952   -0.09440324
 C                  4.49971249   -0.93174627    1.87669201
 H                  3.81545073   -0.13700678    2.18632150
 C                  0.79287900   -2.18467582   -2.34938923
 H                  1.28598671   -3.04062402   -2.81971179
 H                 -0.08235118   -1.92585399   -2.95424780
 H                  0.45299042   -2.48376884   -1.35478213
 C                  4.19954729   -3.03274956   -2.61819420
 H                  3.59535504   -3.06066898   -3.51546042
 C                  2.21668046   -0.44199678   -3.59552944
 H                  2.89986205    0.39982244   -3.45168660
 H                  1.35272814   -0.09577328   -4.17189429
 H                  2.72424699   -1.20629518   -4.18913323
 C                  4.28419826   -2.13452915    2.79855762
 H                  3.23718799   -2.45218291    2.76773355
 H                  4.53309553   -1.85217183    3.82624814
 H                  4.91506468   -2.98226170    2.51513342
 C                  4.67361174   -2.18126273   -0.37470672
 C                  3.89018088   -2.19315873   -1.54397606
 C                  5.92202688   -0.36563592    1.90331504
 H                  6.67538557   -1.11864398    1.65904296
 H                  6.13319506    0.00600498    2.91054730
 H                  6.02404056    0.46765877    1.20168688
 C                  5.79445431   -3.00706109   -0.24431218
 H                  6.39910562   -3.01591037    0.65293527
 C                  5.31869830   -3.85001503   -2.48632828
 H                  5.58642415   -4.51447835   -3.30171718
 C                  6.10366877   -3.83673091   -1.31868065
 H                  6.96701436   -4.49081535   -1.24895150
 Sn                -2.89752256   -2.39343895   -0.01878858
 Pd                -1.56628748   -0.39168595    0.75770516
 Br                 0.38563140   -1.80573104    1.67230130
 Cl                -4.21847005   -3.30546161    1.74463912
 Cl                -1.82869750   -4.33556662   -0.86863129
 Cl                -4.56927015   -2.04355685   -1.68563908
 N                 -4.07322801    1.26139633    0.49391468
 N                 -2.85311261    1.27882524   -1.33290740
 C                 -4.49956563    0.93170543    1.87674564
 H                 -3.81520309    0.13707506    2.18644169
 C                 -2.97048813    0.74788429   -0.09437464
 C                 -1.72650838    0.97746891   -2.24888357
 H                 -1.19048081    0.16878077   -1.74214193
 C                 -4.28425474    2.13447428    2.79866285
 H                 -4.91541465    2.98207111    2.51548630
 H                 -4.53287713    1.85191235    3.82636881
 H                 -3.23733126    2.45241502    2.76770042
 C                 -5.79441674    3.00694438   -0.24425515
 H                 -6.39905297    3.01575957    0.65300233
 C                 -5.92180695    0.36539519    1.90324217
 H                 -6.02365818   -0.46792153    1.20160090
 H                 -6.13304451   -0.00628821    2.91044298
 H                 -6.67522063    1.11831601    1.65887272
 C                 -0.79287087    2.18443716   -2.34978395
 H                 -0.45248432    2.48339117   -1.35530449
 H                  0.08202578    1.92565918   -2.95512885
 H                 -1.28617616    3.04048773   -2.81970797
 C                 -3.89012609    2.19312378   -1.54393639
 C                 -4.67349777    2.18124843   -0.37462585
 C                 -2.21697880    0.44166794   -3.59549816
 H                 -2.72423443    1.20602079   -4.18930110
 H                 -1.35315161    0.09496622   -4.17177336
 H                 -2.90044558   -0.39986564   -3.45140452
 C                 -4.19960356    3.03261547   -2.61820109
 H                 -3.59548300    3.06048088   -3.51551926
 C                 -6.10373730    3.83652901   -1.31865981
 H                 -6.96714718    4.49052899   -1.24894605
 C                 -5.31881197    3.84980387   -2.48633838
 H                 -5.58661280    4.51420356   -3.30175485

47

 Pd                 0.69809922    0.10403894    0.50307235
 Sn                 0.11903406   -2.14347862   -0.40659270
 Br                 3.01782690   -0.82381250    0.82937298
 N                 -2.19803967    0.66343962    1.10428842
 C                 -5.56125283    2.08016670    0.26364399
 H                 -6.56233675    2.26430428    0.64057241
 N                 -1.68565945    1.27256640   -0.93971557
 Cl                 1.19365411   -2.73516701   -2.43249170
 C                 -5.23261813    2.47249967   -1.04728196
 H                 -5.98466083    2.95424281   -1.66411170
 C                 -3.96161418    2.25739860   -1.57279550
 H                 -3.71999828    2.56742278   -2.58101921
 C                 -3.02387395    1.63016208   -0.74632312
 C                 -3.35252670    1.23861127    0.56494655
 C                 -4.62907173    1.46062517    1.09116674
 H                 -4.89185114    1.16694114    2.09903976
 C                 -1.20294799    0.69752539    0.18730106
 C                 -0.87454475    1.49614435   -2.16038917
 H                  0.09439803    1.04680764   -1.92313453
 C                 -0.66234867    2.99385335   -2.39794189
 H                  0.02840540    3.13358043   -3.23514121
 H                 -0.23405269    3.46655662   -1.50812961
 H                 -1.59801752    3.50547159   -2.64111666
 C                 -1.45944518    0.74886213   -3.36200633
 H                 -1.60888387   -0.30833638   -3.12368526
 H                 -0.75996937    0.82172762   -4.20034091
 H                 -2.41635830    1.16758998   -3.68478381
 C                 -2.03369876    0.11032871    2.47018687
 H                 -1.00474608   -0.26142772    2.48290308
 C                 -2.97172017   -1.07702372    2.70371199
 H                 -2.85409932   -1.82389631    1.91291890
 H                 -4.02202008   -0.77519540    2.73790400
 H                 -2.72378825   -1.54216276    3.66273923
 C                 -2.15317826    1.21856689    3.51954191
 H                 -1.93406695    0.80398678    4.50835198
 H                 -3.15797112    1.64998601    3.54797236
 H                 -1.43776021    2.02135131    3.31320163
 Cl                -2.16782245   -2.44009969   -1.02604663
 Cl                 0.43679321   -4.04054877    0.96937566
 H                  2.30602626    2.47292990   -0.90546589
 H                  4.06578812    1.79311498    0.73650640
 Cl                 1.29136124    2.62157740    1.25214231
 Cl                 5.10422082    3.31884806   -0.77728053
 C                  2.51973961    3.09364120   -0.03593207
 C                  3.91162474    2.84846135    0.51276049
 H                  2.33142231    4.14401971   -0.25671515
 H                  4.11756977    3.46321161    1.38935446

42

 Pd                -0.99520705   -1.01301431   -0.25582651
 N                  2.01972750   -0.90286502    0.09255506
 C                  5.26599598    0.95376130    0.37693652
 H                  6.33419923    0.84571623    0.53971637
 N                  1.17214422    1.08879467   -0.21946330
 C                  4.72052570    2.23334210    0.18143276
 H                  5.37239757    3.10172614    0.19573492
 C                  3.35326123    2.41260476   -0.03053646
 H                  2.94404932    3.40425320   -0.17738778
 C                  2.54306497    1.27323166   -0.04245060
 C                  3.08977567   -0.01024034    0.15644495
 C                  4.46066521   -0.18552630    0.36792622
 H                  4.89289648   -1.16623381    0.52207688
 C                  0.83951897   -0.24040639   -0.13270432
 C                  0.17052054    2.14459029   -0.46133793
 H                 -0.76531043    1.58406503   -0.56413977
 C                  0.43675275    2.87747570   -1.77991208
 H                 -0.38316822    3.57539597   -1.97952421
 H                  0.49251167    2.16266594   -2.60765423
 H                  1.36780951    3.45154283   -1.75820626
 C                  0.04204373    3.07569361    0.74808805
 H                 -0.18822172    2.49663624    1.64867855
 H                 -0.77179730    3.78814558    0.57655078
 H                  0.95747034    3.64687273    0.93085080
 C                  2.09108349   -2.36788110    0.24937875
 H                  1.04930403   -2.68506287    0.13110900
 C                  2.55421591   -2.75453412    1.65760152
 H                  1.90508484   -2.29467826    2.41015727
 H                  3.58450397   -2.44400994    1.85601887
 H                  2.50210437   -3.84226488    1.77308157
 C                  2.91955299   -3.00843113   -0.86886100
 H                  2.86589193   -4.09881339   -0.78310636
 H                  3.97389227   -2.71947092   -0.82346289
 H                  2.52515140   -2.71818203   -1.84835796
 H                 -4.15598188    0.11920477   -1.32520985
 H                 -3.00236759    0.74704825    0.81847675
 Cl                -3.31943399   -1.90675089   -0.38436068
 Cl                -5.07601805    1.93990832    0.77553617
 C                 -4.37968228   -0.40263351   -0.39551535
 C                 -4.04938162    0.43656762    0.82474336
 H                 -5.40914019   -0.76058493   -0.38993069
 H                 -4.27965248   -0.08618254    1.75351579

58

 Pd                 0.40498194   -0.64948935   -1.34175838
 N                 -2.33351564   -1.06721066    0.02829260
 C                 -5.71026316    0.12219371    1.14874209
 H                 -6.63406191   -0.17322822    1.63719435
 N                 -2.10248024    0.98215455   -0.68912550
 C                 -5.56128162    1.44055114    0.68687159
 H                 -6.37139573    2.15078944    0.82298976
 C                 -4.39111283    1.85694873    0.05183958
 H                 -4.29037120    2.87428480   -0.30482478
 C                 -3.36903957    0.91624389   -0.10801597
 C                 -3.51817478   -0.40606216    0.35535433
 C                 -4.69361398   -0.81974826    0.98981302
 H                 -4.82304578   -1.83426116    1.34526930
 C                 -1.46397743   -0.23032371   -0.62135636
 C                 -1.49588823    2.16228313   -1.33527534
 H                 -0.50326115    1.80570901   -1.63241632
 C                 -1.31431240    3.31797714   -0.34630457
 H                 -0.76204165    4.12761373   -0.83487231
 H                 -0.74070729    2.99460082    0.52752186
 H                 -2.26889164    3.72539081   -0.00045894
 C                 -2.26609324    2.55433044   -2.60019985
 H                 -2.32855130    1.70268077   -3.28579294
 H                 -1.74407994    3.37168677   -3.10878778
 H                 -3.28302812    2.89113930   -2.37611934
 C                 -2.01689547   -2.48160255    0.30317565
 H                 -0.99604129   -2.59060823   -0.07778890
 C                 -2.93323859   -3.41647036   -0.49291966
 H                 -2.87285247   -3.18808192   -1.56226866
 H                 -3.97912336   -3.33227801   -0.18169810
 H                 -2.61890404   -4.45454751   -0.34140720
 C                 -2.00273399   -2.77160628    1.80742684
 H                 -1.65098286   -3.79527748    1.97481161
 H                 -2.99518176   -2.68125065    2.25867351
 H                 -1.32086841   -2.08720231    2.32036805
 H                  1.34192835    0.30116074    3.77871506
 H                  0.30559839    0.91542538    1.54318167
 Cl                 1.56721240   -1.60173522    2.36735101
 Cl                 1.62435290    2.77327648    2.26860151
 C                  1.87008303    0.13252850    2.83990375
 C                  1.37006776    1.04443857    1.73608190
 H                  2.94513453    0.23904439    2.98233391
 H                  1.92814934    0.91167363    0.81143983
 H                  3.51209228    2.15696434   -2.02439560
 H                  2.20302831   -0.25362074   -3.30116048
 C                  3.79856578    1.41970137   -1.27909392
 C                  2.45479931   -0.59291319   -2.30327589
 C                  3.33837159    0.09794240   -1.37732600
 C                  4.60356909    1.77486457   -0.19920169
 H                  4.95578027    2.79795654   -0.10385114
 C                  2.34540875   -1.90993457   -1.83689833
 H                  1.96669086   -2.78578462   -2.34573338
 C                  3.72741105   -0.84849783   -0.39029814
 C                  4.96150907    0.82676261    0.78122143
 N                  3.16514789   -2.06738005   -0.72159837
 C                  4.53073613   -0.49628965    0.69924839
 H                  5.58466564    1.13241823    1.61706939
 H                  3.06639232   -2.82762990   -0.06375963
 H                  4.80070842   -1.22731195    1.45540165

58

 Pd                 0.01921810   -0.76855466    0.50230977
 N                  3.10198431   -1.04492515   -0.08821491
 C                  6.55760776    0.35500338   -0.49476108
 H                  7.59444564    0.10600245   -0.69973460
 N                  2.54660486    1.03376890    0.26401861
 C                  6.19916425    1.69530865   -0.26777698
 H                  6.96320963    2.46617385   -0.30002787
 C                  4.87954913    2.05682408   -0.00100344
 H                  4.61611564    3.09265888    0.17260499
 C                  3.92307075    1.03691476    0.03337791
 C                  4.28213372   -0.30637183   -0.19392564
 C                  5.60741243   -0.66447373   -0.46163453
 H                  5.89626785   -1.69304275   -0.63761573
 C                  2.04145720   -0.23365093    0.19470834
 C                  1.69900286    2.20870043    0.54984095
 H                  0.69644322    1.78438352    0.66351514
 C                  1.67694981    3.17970579   -0.63479505
 H                  0.94662162    3.97220465   -0.44178201
 H                  1.38689175    2.65771094   -1.55221159
 H                  2.65001642    3.65142513   -0.80122168
 C                  2.09028757    2.86717319    1.87635571
 H                  2.06071477    2.13398851    2.68890729
 H                  1.38163274    3.66929179    2.10723187
 H                  3.09305646    3.30343908    1.84174455
 C                  2.96084361   -2.50512577   -0.25227162
 H                  1.89211284   -2.67847697   -0.09376290
 C                  3.73641202   -3.26301278    0.82991313
 H                  3.42613575   -2.92883697    1.82541210
 H                  4.81770550   -3.12197527    0.74070844
 H                  3.52852964   -4.33457348    0.74367506
 C                  3.31265243   -2.93935274   -1.67882129
 H                  3.09911848   -4.00668582   -1.79754398
 H                  4.36974046   -2.77985835   -1.91172490
 H                  2.71237925   -2.38285935   -2.40627034
 H                 -2.59564343    0.07894500   -3.19789121
 H                 -4.09611962    1.96700692   -2.43490821
 Cl                -1.29396570    1.45723726   -1.75882294
 Cl                -5.36438625   -0.04463838   -2.30762986
 C                 -2.68384252    0.33958851   -2.14283336
 C                 -3.98676059    1.05732209   -1.84366203
 H                 -2.55255556   -0.54024127   -1.51296877
 H                 -4.09573006    1.27429797   -0.78173783
 H                 -1.88489997    1.54556892    1.85442388
 H                 -0.40835954   -1.54941856    1.79812175
 C                 -2.85176880    1.06507177    1.72854666
 C                 -1.90765539   -1.24785184    0.92072180
 C                 -2.91307357   -0.27402495    1.30274458
 C                 -4.03332522    1.76036839    1.96536812
 H                 -3.99428219    2.79647190    2.29130856
 C                 -2.61509774   -2.39104475    0.59411408
 H                 -2.25345841   -3.36272591    0.28661165
 C                 -4.19373319   -0.87765781    1.13215853
 C                 -5.29045083    1.14192212    1.77841496
 N                 -3.97875781   -2.17072786    0.70542044
 C                 -5.38736042   -0.18246544    1.36048500
 H                 -6.19825137    1.71086133    1.96047392
 H                 -4.70094705   -2.83619566    0.47275411
 H                 -6.35261095   -0.65624146    1.20519924

58

 Pd                 0.18043562   -0.86213447   -0.29558312
 N                 -2.94503599   -0.99449573   -0.09191596
 C                 -6.34584150    0.58576698   -0.01788995
 H                 -7.40670430    0.39607574    0.11447285
 N                 -2.25770811    1.03972971   -0.47468649
 C                 -5.90239403    1.89685430   -0.26472498
 H                 -6.62592210    2.70456329   -0.32006137
 C                 -4.54930773    2.18339585   -0.43888225
 H                 -4.21934417    3.19775821   -0.62503935
 C                 -3.64768515    1.11750215   -0.36058150
 C                 -4.09190404   -0.19625702   -0.11346218
 C                 -5.44989631   -0.47917566    0.06244639
 H                 -5.80316854   -1.48413976    0.25618911
 C                 -1.83019435   -0.24311511   -0.30499955
 C                 -1.32532844    2.15919502   -0.72033638
 H                 -0.34466264    1.67462952   -0.75677769
 C                 -1.32936701    3.14782348    0.44948082
 H                 -0.56134680    3.91074733    0.28403548
 H                 -1.10568884    2.62743637    1.38609296
 H                 -2.29243276    3.65622980    0.55617228
 C                 -1.58325640    2.81112542   -2.08186123
 H                 -1.55135668    2.05954080   -2.87729939
 H                 -0.80644242    3.55709582   -2.27881707
 H                 -2.55257515    3.31651633   -2.12352834
 C                 -2.88464536   -2.44998785    0.15188702
 H                 -1.81838265   -2.68072215    0.07055112
 C                 -3.62740614   -3.22829262   -0.93837942
 H                 -3.24606588   -2.95691334   -1.92815687
 H                 -4.70520992   -3.04178605   -0.92103483
 H                 -3.46954003   -4.30129978   -0.78876248
 C                 -3.34466423   -2.78849625    1.57340286
 H                 -3.19691014   -3.85715031    1.76012609
 H                 -4.40389105   -2.56195526    1.72875559
 H                 -2.76015382   -2.22428681    2.30779644
 H                  2.31435677    0.75983897    3.45551916
 H                  1.78539865    2.60438619    1.80224137
 Cl                 0.37930461    0.07054733    2.25361483
 Cl                 4.13611132    2.22447612    1.67382950
 C                  2.14246612    0.54310883    2.40139547
 C                  2.38904021    1.74464772    1.50993138
 H                  2.71111897   -0.32546365    2.07187244
 H                  2.22627168    1.49480289    0.46222256
 H                  2.33346009    0.95515285   -2.12296406
 H                  0.12424428   -1.40517961   -1.74080350
 C                  3.26682688    0.48275248   -1.82213035
 C                  2.15132298   -1.38890573   -0.36281263
 C                  3.23170797   -0.65053118   -0.98787310
 C                  4.49201781    0.98492597   -2.25021368
 H                  4.52291785    1.86008567   -2.89455083
 C                  2.78053899   -2.40154562    0.33332095
 H                  2.35856231   -3.19236109    0.94063495
 C                  4.47194956   -1.25026217   -0.60866012
 C                  5.70300364    0.37231714   -1.85825049
 N                  4.16695054   -2.32084641    0.19949718
 C                  5.70909823   -0.75034673   -1.03407558
 H                  6.64745337    0.78456997   -2.20440693
 H                  4.83683201   -2.94986258    0.61627658
 H                  6.64113733   -1.22123178   -0.73113846

77

 Pd                -0.04375638   -0.44714554    0.67686016
 N                  2.73697177   -1.82581519    0.46505706
 C                  6.31989626   -2.01261155   -0.62670809
 H                  7.20347954   -2.64292989   -0.65807198
 N                  2.82262367    0.18807643   -0.37049334
 C                  6.36960770   -0.72199881   -1.18210153
 H                  7.29027715   -0.37131095   -1.63862530
 C                  5.25858968    0.11937687   -1.16006846
 H                  5.30791536    1.10943192   -1.59523323
 C                  4.09046408   -0.36600533   -0.56333256
 C                  4.03761645   -1.66323274   -0.01717831
 C                  5.15560758   -2.50321888   -0.03801396
 H                  5.12889178   -3.50015080    0.38339921
 C                  1.99626676   -0.70167831    0.24556629
 C                  2.39096179    1.55054133   -0.74988804
 H                  1.36539834    1.61758387   -0.37851070
 C                  2.36067008    1.71932154   -2.27134101
 H                  1.93129755    2.69603607   -2.51379176
 H                  1.73455977    0.94502965   -2.72774650
 H                  3.35997064    1.66056582   -2.71446498
 C                  3.22555002    2.61357744   -0.03014646
 H                  3.17380483    2.46739555    1.05326368
 H                  2.81669669    3.60048890   -0.26221214
 H                  4.27616637    2.59787964   -0.33360742
 C                  2.19237893   -3.01796161    1.14678864
 H                  1.15273745   -2.74630182    1.35315767
 C                  2.90013391   -3.25598506    2.48453474
 H                  2.84100697   -2.36083370    3.11224743
 H                  3.95491713   -3.51508036    2.35190070
 H                  2.41354334   -4.08270579    3.01233152
 C                  2.19496582   -4.24198219    0.22578047
 H                  1.68197220   -5.07036127    0.72558542
 H                  3.20789877   -4.57429808   -0.01947004
 H                  1.66589217   -4.01957516   -0.70546172
 H                 -1.92940257   -4.16390508   -0.35209762
 H                 -3.13279085   -3.51358021   -2.46221504
 Cl                -0.70214878   -2.31862649   -1.22671567
 Cl                -4.81999791   -3.73704219   -0.79220873
 C                 -2.19807989   -3.12350969   -0.53526319
 C                 -3.33361406   -2.98371337   -1.53051685
 H                 -2.40606300   -2.59751108    0.39600511
 H                 -3.56822327   -1.93805786   -1.72467923
 H                 -1.98369957    0.56779057   -1.73279962
 H                  0.24096015    0.56428454    1.80385823
 C                 -2.95211740    0.52190670   -1.24211179
 C                 -2.01891990   -0.16711522    1.11395774
 C                 -3.02326666    0.18184919    0.12266502
 C                 -4.12221122    0.78348627   -1.94995544
 H                 -4.06933045    1.04493910   -3.00385302
 C                 -2.74275740   -0.39799134    2.26675784
 H                 -2.39832398   -0.66681099    3.25699475
 C                 -4.31159260    0.12092131    0.73741075
 C                 -5.38330798    0.70748392   -1.31729775
 N                 -4.11007188   -0.23133074    2.05104679
 C                 -5.49384671    0.37625716    0.03080615
 H                 -6.28319988    0.91050025   -1.89200387
 H                 -4.83550344   -0.36283699    2.74000749
 H                 -6.46431984    0.31394258    0.51664003
 H                 -2.27910005    3.88841336    2.38396737
 C                 -1.41428506    3.26548305    2.64513026
 C                  0.54720642    5.34457475   -1.40273139
 C                  0.57213875    5.10267437   -0.02908445
 H                  1.17641165    5.73547375    0.61455901
 H                 -1.31865334    3.23961827    3.73529436
 H                  1.14420247    6.15273578   -1.81728478
 C                 -0.25529419    4.56347204   -2.24046760
 C                 -0.19164397    4.06695951    0.54143517
 C                 -0.15057854    3.79192903    2.00340089
 C                 -1.03460497    3.54516547   -1.68637658
 C                 -1.00842387    3.30276337   -0.31183922
 H                 -0.28169650    4.75586008   -3.30967439
 C                  0.96633665    3.98789752    2.72418943
 H                 -1.63295253    2.24618272    2.30451048
 H                 -1.67356387    2.93610305   -2.31953242
 H                  0.98331862    3.80711091    3.79576411
 H                 -1.61256654    2.49912170    0.09226818
 H                  1.89761378    4.31649013    2.27245081

77

 Pd                -0.08077363   -0.35317473   -0.21977998
 N                  3.05815267   -0.62515989   -0.51654477
 C                  6.56300880    0.50494094    0.19654555
 H                  7.60967505    0.34878869   -0.04658510
 N                  2.51119471    0.89335796    0.94845528
 C                  6.20892535    1.49559009    1.12886158
 H                  6.98606765    2.09496329    1.59343871
 C                  4.87696689    1.72691599    1.47009784
 H                  4.61653663    2.49691402    2.18529579
 C                  3.90391162    0.93593638    0.85163900
 C                  4.25837898   -0.05068363   -0.08969632
 C                  5.59529851   -0.28145157   -0.42733763
 H                  5.87968190   -1.03855294   -1.14742993
 C                  1.99234025   -0.04794658    0.10632771
 C                  1.65216835    1.77399322    1.76698825
 H                  0.64413998    1.38364123    1.59045313
 C                  1.70958909    3.21668714    1.25502307
 H                  0.98438187    3.82964845    1.80055505
 H                  1.46294043    3.24900673    0.18927936
 H                  2.70104559    3.65932618    1.39470928
 C                  1.95827599    1.64589752    3.26223526
 H                  1.91897859    0.59970692    3.58025268
 H                  1.20789653    2.20531927    3.83027081
 H                  2.94182600    2.04679552    3.52303793
 C                  2.89726909   -1.67564082   -1.54001153
 H                  1.81547261   -1.81810520   -1.59273156
 C                  3.54001638   -2.99269680   -1.09423228
 H                  3.15294201   -3.29716695   -0.11586621
 H                  4.62934889   -2.91920760   -1.02278837
 H                  3.30204409   -3.77797550   -1.81904050
 C                  3.37465529   -1.18894818   -2.91186748
 H                  3.14828358   -1.94913947   -3.66672315
 H                  4.45234898   -1.00184981   -2.93367081
 H                  2.85692235   -0.26377029   -3.18626000
 H                 -1.34708021    3.23104620   -3.25165179
 H                 -0.79962688    4.08212437   -0.89810612
 Cl                 0.54961022    2.04272567   -2.43580179
 Cl                -3.16484543    3.92693710   -1.12386773
 C                 -1.20084838    2.56193436   -2.40367371
 C                 -1.47643189    3.24650732   -1.07812340
 H                 -1.79586690    1.65317785   -2.50285601
 H                 -1.44361304    2.53381688   -0.25359619
 H                 -2.07078250    1.06452948    2.01231293
 H                 -0.27582458   -2.79126519   -1.92427554
 C                 -3.02835967    0.97281031    1.50452522
 C                 -2.09449152   -0.32981932   -0.57017910
 C                 -3.09498185    0.30772887    0.26662529
 C                 -4.19011436    1.48430049    2.07604878
 H                 -4.14219205    1.99573630    3.03464532
 C                 -2.80876806   -0.81301213   -1.64784697
 H                 -2.47187433   -1.39906862   -2.49385893
 C                 -4.37165197    0.17786002   -0.36251172
 C                 -5.43779805    1.34779262    1.42791524
 N                 -4.16935645   -0.52017932   -1.53146638
 C                 -5.54463613    0.69368448    0.20213180
 H                 -6.33072677    1.75836225    1.89303003
 H                 -4.87906341   -0.72988652   -2.21744636
 H                 -6.50492821    0.58818527   -0.29740202
 H                 -2.63014319   -5.61254085   -0.27145335
 C                 -2.64257109   -4.62196321   -0.75073779
 C                  0.06620118   -1.66006151    2.29378905
 C                 -0.10891131   -2.18922743    0.94681059
 H                  0.81028054   -2.57734419    0.51107152
 H                 -2.71512095   -4.79496353   -1.83005147
 H                  1.03433785   -1.23680210    2.54459256
 C                 -0.94539339   -1.67222318    3.20522645
 C                 -1.30886316   -3.02634177    0.69599625
 C                 -1.40703311   -3.81673619   -0.42206530
 C                 -2.20788419   -2.27346570    2.86133660
 C                 -2.37690184   -2.92200839    1.67720229
 H                 -0.80874035   -1.23788989    4.19234603
 C                 -0.32162560   -3.79610260   -1.46103176
 H                 -3.56804294   -4.12659920   -0.43848565
 H                 -3.02862396   -2.22227705    3.57259958
 H                 -0.49422031   -4.53076121   -2.25295668
 H                 -3.33069915   -3.39492948    1.46809234
 H                  0.67822641   -3.98085835   -1.04766031

77

 Pd                -0.20720179    0.33100152    0.83197423
 N                  2.54911679   -1.13618011    0.87477840
 C                  5.50141479   -2.62273694   -0.89494046
 H                  6.29963840   -3.35531464   -0.82233515
 N                  2.37142643    0.08899864   -0.92063805
 C                  5.37229602   -1.85227830   -2.06364198
 H                  6.06985974   -2.00127903   -2.88236144
 C                  4.36146546   -0.90150032   -2.19687876
 H                  4.26453502   -0.32493201   -3.10783698
 C                  3.47940617   -0.73791108   -1.12386110
 C                  3.59974479   -1.52186964    0.04089935
 C                  4.61744945   -2.47198899    0.17234274
 H                  4.71903378   -3.07951376    1.06288917
 C                  1.78568379   -0.17082893    0.28488507
 C                  1.84695427    1.10673638   -1.85717268
 H                  1.08378780    1.62953530   -1.27725732
 C                  1.17665645    0.44621457   -3.06540147
 H                  0.76732090    1.21883507   -3.72505657
 H                  0.35664557   -0.20168414   -2.74144938
 H                  1.88627336   -0.15466521   -3.64412401
 C                  2.92348228    2.12536810   -2.24553746
 H                  3.42607912    2.51150921   -1.35451530
 H                  2.44390437    2.96856002   -2.75082727
 H                  3.67507860    1.70786704   -2.92093857
 C                  2.21655577   -1.70627591    2.19545308
 H                  1.33285578   -1.13945824    2.50278534
 C                  3.33434265   -1.45164090    3.21115463
 H                  3.56685967   -0.38339604    3.26492921
 H                  4.25238407   -1.99222631    2.96241282
 H                  3.00678123   -1.78421565    4.20162085
 C                  1.81597575   -3.18037513    2.07569001
 H                  1.47661160   -3.54651049    3.05033680
 H                  2.65015984   -3.80939926    1.75037675
 H                  0.99955036   -3.29128408    1.35520837
 H                 -1.86536307   -4.26164076   -1.75835510
 H                 -3.15294394   -2.11538787   -1.38578200
 Cl                -0.24677074   -2.58320031   -1.26361490
 Cl                -4.29991409   -3.81842714   -0.17098128
 C                 -1.68282366   -3.64163109   -0.88019829
 C                 -2.86728116   -2.75318283   -0.55002655
 H                 -1.39769642   -4.26784635   -0.03401412
 H                 -2.68099929   -2.13774468    0.32897986
 H                 -1.79697615    1.20915947   -1.82083150
 H                  1.24704395    1.08159356    3.48959459
 C                 -2.80627092    0.91992013   -1.53767095
 C                 -2.23608994    0.38725524    0.97007156
 C                 -3.07551260    0.54515916   -0.20704278
 C                 -3.83456834    0.91278429   -2.47562038
 H                 -3.62989331    1.19981491   -3.50420293
 C                 -3.10450973   -0.04173187    1.95397905
 H                 -2.91422711   -0.26439201    2.99631242
 C                 -4.41354621    0.17690969    0.13336977
 C                 -5.14694674    0.53565991   -2.11168475
 N                 -4.40492669   -0.16762183    1.46583159
 C                 -5.45343905    0.16501211   -0.80458647
 H                 -5.93146280    0.53442499   -2.86420503
 H                 -5.20267384   -0.49596492    1.98949659
 H                 -6.46089162   -0.13281220   -0.52476152
 H                 -0.71031943    3.35194669    3.46924847
 C                 -0.99598975    2.45650777    2.89175929
 C                  1.62400019    4.74080952   -0.44956284
 C                  1.51327914    3.78224323    0.56327629
 H                  2.39656366    3.53904790    1.14308307
 H                 -1.17241380    1.64154975    3.60080793
 H                  2.58497883    5.21575748   -0.63086283
 C                  0.51892467    5.07912561   -1.22895705
 C                  0.29197118    3.13867596    0.83258401
 C                  0.14586741    2.10679400    1.92560087
 C                 -0.70799260    4.45295970   -0.97356311
 C                 -0.81926350    3.50884208    0.04228704
 H                  0.60757635    5.81639723   -2.02235909
 C                  1.41224782    1.87689405    2.75607599
 H                 -1.93701340    2.66107998    2.38362913
 H                 -1.58125015    4.69844217   -1.57308201
 H                  1.66511534    2.79139284    3.31793660
 H                 -1.76785647    3.00850773    0.20281617
 H                  2.27804898    1.59994874    2.15172070

16

 C                  0.42430388   -1.68365299    0.00000000
 C                  1.78502182   -1.39982506    0.00000000
 C                 -0.49676324   -0.61983739    0.00000000
 C                  2.25313883   -0.06729365    0.00000000
 C                  0.00000000    0.71688192    0.00000000
 C                  1.36962610    1.00704231    0.00000000
 C                 -1.93091970   -0.53032672    0.00000000
 C                 -2.25012670    0.80436752    0.00000000
 N                 -1.09269887    1.55765037    0.00000000
 H                  0.07292818   -2.71247572    0.00000000
 H                  2.50431202   -2.21457399    0.00000000
 H                  3.32312031    0.12239789    0.00000000
 H                  1.72626109    2.03347595    0.00000000
 H                 -2.63300579   -1.35297670    0.00000000
 H                 -3.21575319    1.29045196    0.00000000
 H                 -1.05465637    2.56601239    0.00000000

19

 C                 -0.46545604   -1.16310423   -0.20304123
 C                 -1.86003278   -1.22643290   -0.20506460
 C                  0.20766830    0.05733733   -0.01168785
 C                 -2.61830507   -0.07215701   -0.00283646
 C                 -0.57405132    1.20813281    0.20739971
 C                 -1.96610847    1.14646399    0.20711863
 C                  1.69497733    0.12406901   -0.02697405
 C                  2.45498019   -1.12509745    0.36363740
 C                  2.35208735    1.23842412   -0.38704349
 H                  0.10060671   -2.07463583   -0.36614569
 H                 -2.35287685   -2.18195154   -0.36429318
 H                 -3.70372211   -0.12158545    0.00165625
 H                 -0.08438330    2.15704598    0.40494419
 H                 -2.54345676    2.05015633    0.38408298
 H                  2.09118233   -1.53179093    1.31499578
 H                  3.52525422   -0.92068272    0.45814105
 H                  2.33574438   -1.91753349   -0.38642922
 H                  1.83924715    2.13523366   -0.72227486
 H                  3.43784736    1.27992994   -0.37372568

35

 C                 -2.72778801    1.22098657    0.23229922
 C                 -4.10547599    1.03365465    0.24483046
 C                 -0.44037971   -0.07195082   -0.06780858
 C                 -1.87661447    0.11838348    0.01439944
 C                 -4.67243826   -0.24208639    0.04142539
 C                 -0.25297372   -1.40934078   -0.33149465
 C                 -2.48117556   -1.15666124   -0.19806463
 C                 -3.86681313   -1.35249259   -0.18356077
 N                 -1.46610368   -2.06175076   -0.40725248
 H                 -2.32241104    2.21547021    0.38673460
 H                 -4.75879172    1.88563103    0.41332022
 H                  0.54818469    1.13636025    2.23757282
 H                 -5.75269868   -0.35828968    0.05809362
 H                  0.66654029   -1.95743979   -0.47103829
 H                 -4.29258818   -2.33890121   -0.34630034
 H                 -1.58568054   -3.04944315   -0.57454341
 H                  4.94622465    0.16497918   -1.76383895
 H                  2.73615389    1.21602948   -1.82653492
 C                  4.24140666   -0.03200218   -0.96000146
 C                  2.97719545    0.56714816   -0.99236545
 H                  1.20810252    2.79531231   -1.08945876
 C                  4.59683295   -0.87486006    0.09169084
 H                  5.57844739   -1.34037947    0.11746401
 C                  2.03960503    0.34213125    0.02403416
 C                  0.64445530    0.99658192    0.03782780
 C                  0.46423375    1.99140897   -1.13280053
 C                  0.50179975    1.79292987    1.36427838
 H                 -0.52754204    2.44912315   -1.08558620
 C                  3.67237127   -1.11539075    1.11247629
 C                  2.41560949   -0.51376884    1.07573716
 H                  1.30831294    2.53029924    1.44651839
 H                 -0.45093244    2.32743981    1.40381297
 H                  3.92977631   -1.77283340    1.93902903
 H                  1.70555158   -0.72677625    1.86923745
 H                  0.54697137    1.48764626   -2.10113321

72

 Pd                -0.00313516   -0.38708156    0.00435494
 Sn                -0.16817391    2.03745102   -0.67437100
 Br                 0.15805300   -2.73284916    0.99128994
 N                 -2.81915129   -0.25356061    1.06060991
 C                 -6.50789785   -0.90890476    1.02554697
 H                 -7.42201329   -0.85978044    1.60939578
 N                 -2.89634128   -1.00926798   -0.98905903
 Cl                 0.25613134    3.50470231    1.15902708
 C                 -6.55524577   -1.39514121   -0.29240620
 H                 -7.50497971   -1.71528772   -0.70997204
 C                 -5.40546770   -1.47798592   -1.07448356
 H                 -5.45042443   -1.86146105   -2.08784048
 N                  2.87565921   -0.78364628   -0.87457515
 N                  2.82046359    0.02819412    1.15621171
 C                 -4.20547996   -1.05536741   -0.49913909
 C                 -4.15673582   -0.56825657    0.81757402
 C                 -5.31099141   -0.48935468    1.60140396
 H                 -5.28443072   -0.12150782    2.61910300
 C                 -2.05898216   -0.53799448   -0.02832817
 C                 -2.52657072   -1.50906973   -2.33538184
 H                 -3.48291336   -1.61448410   -2.85429567
 C                 -1.86727655   -2.88779634   -2.23946272
 H                 -1.67485787   -3.27460530   -3.24657174
 H                 -2.51685414   -3.59396962   -1.71241467
 H                 -0.92387495   -2.83314749   -1.69070481
 C                 -1.69765845   -0.50004033   -3.13142731
 H                 -2.16693198    0.48756515   -3.13287761
 H                 -1.60758452   -0.84981062   -4.16535961
 H                 -0.68764364   -0.40449259   -2.72391299
 C                 -2.25970336    0.27987118    2.32251572
 H                 -1.19982151    0.42821099    2.09816424
 C                 -2.35320192   -0.76496799    3.43679428
 H                 -1.82973838   -1.67646922    3.13168936
 H                 -3.39108776   -1.01491418    3.67867217
 H                 -1.87885193   -0.37331536    4.34317250
 C                 -2.86314516    1.64482819    2.66420237
 H                 -2.31595165    2.07783363    3.50743193
 H                 -3.91786709    1.57530586    2.94535489
 H                 -2.77630892    2.32964451    1.81521978
 C                  2.05158173   -0.30148517    0.08862919
 C                  4.15691471   -0.29349032    0.89889887
 C                  4.19250408   -0.80971072   -0.41013736
 C                  5.38944496   -1.24286375   -0.98640333
 H                  5.42405622   -1.64584206   -1.99055642
 C                  6.54534630   -1.14847609   -0.21516797
 H                  7.49070759   -1.47902123   -0.63465276
 C                  6.50937214   -0.64113044    1.09474017
 H                  7.42715398   -0.58788842    1.67246987
 C                  5.31796496   -0.20798083    1.67193258
 H                  5.29981133    0.16920417    2.68600164
 C                  2.26147115    0.53225185    2.43111574
 H                  1.21689461    0.74799520    2.19333408
 C                  2.29985408   -0.56620427    3.49723926
 H                  1.75934303   -1.44947945    3.14402252
 H                  1.82567841   -0.20187826    4.41524502
 H                  3.32866901   -0.85442758    3.73830799
 C                  2.91954401    1.84560078    2.86202072
 H                  3.94673397    1.70461608    3.20937744
 H                  2.34317416    2.27350492    3.68810091
 H                  2.91671078    2.57005013    2.04387098
 C                  2.37973229   -1.31405269   -2.16194183
 H                  1.30909867   -1.09409337   -2.13610342
 C                  2.98715633   -0.56563796   -3.35079697
 H                  4.06115018   -0.74734282   -3.45130441
 H                  2.82178380    0.51116185   -3.25145130
 H                  2.50412682   -0.90637057   -4.27283064
 C                  2.54203954   -2.83584458   -2.21216828
 H                  2.09018715   -3.22072607   -3.13285595
 H                  2.03729079   -3.29054335   -1.35401423
 H                  3.59523956   -3.13401627   -2.20133426
 Cl                -2.29981990    2.83230446   -1.38529207
 Cl                 1.28389766    2.83686941   -2.37910758

72

 Pd                -0.03285277    0.57481932    0.64410272
 Sn                 2.08015894    1.70870290   -0.29058915
 Br                -0.71770315    2.73869274    1.72614964
 N                 -2.84838303    0.57700750   -0.51235992
 C                 -6.39467535   -0.55760347   -0.97355431
 H                 -7.30266874   -0.41102034   -1.55062268
 N                 -2.83636701   -0.90370770    1.09415252
 Cl                 3.52184720    3.36399721    0.58527983
 C                 -6.37156618   -1.53025376    0.04110860
 H                 -7.25904469   -2.12608119    0.23136858
 C                 -5.22866052   -1.74341820    0.80864363
 H                 -5.21271636   -2.49700159    1.58870694
 N                  1.64739375   -1.93206746    0.82843462
 N                  0.61631650   -1.85736489   -1.10154218
 C                 -4.11220240   -0.95401406    0.52585472
 C                 -4.12483352    0.00735977   -0.49658147
 C                 -5.27743842    0.22470507   -1.25816620
 H                 -5.31167987    0.97261470   -2.03912540
 C                 -2.06480792    0.01292276    0.45383736
 C                 -2.44636804   -1.75037614    2.24142421
 H                 -3.39449460   -2.01517424    2.71988480
 C                 -1.62609903   -0.97175321    3.26981645
 H                 -1.47973753   -1.59351860    4.15944190
 H                 -2.13689306   -0.04918154    3.55885342
 H                 -0.64777210   -0.69014858    2.87616588
 C                 -1.77877959   -3.03881368    1.74893550
 H                 -2.42821869   -3.56548408    1.04130412
 H                 -1.57697144   -3.70744340    2.59269714
 H                 -0.83360091   -2.81942546    1.24883709
 C                 -2.44475886    1.74121676   -1.34750033
 H                 -1.39506384    1.90540808   -1.10265072
 C                 -3.22611386    2.99161880   -0.93563664
 H                 -3.08072511    3.19101700    0.12798731
 H                 -4.29653751    2.89304827   -1.14482172
 H                 -2.84369110    3.84875538   -1.49893676
 C                 -2.54121167    1.45292435   -2.84884270
 H                 -2.03821163    2.26359156   -3.38419321
 H                 -3.57439059    1.40163713   -3.20442650
 H                 -2.04269407    0.51947026   -3.11767441
 C                  0.79756166   -1.18737497    0.06317605
 C                  1.35143006   -3.04475201   -1.09760365
 C                  2.01895943   -3.08967540    0.13911118
 C                  2.85360554   -4.16103140    0.46988632
 H                  3.38258284   -4.20216054    1.41302734
 C                  2.99258701   -5.18130269   -0.46759942
 H                  3.63805898   -6.02415433   -0.24020177
 C                  2.31797559   -5.13966985   -1.69972147
 H                  2.44822327   -5.95200382   -2.40812382
 C                  1.48804723   -4.07278673   -2.03407071
 H                  0.97527752   -4.04667664   -2.98689119
 C                 -0.21121031   -1.34028070   -2.20945888
 H                 -0.53105032   -0.36102558   -1.85300073
 C                  0.61842167   -1.11991581   -3.47715011
 H                  1.50157052   -0.51533845   -3.25376044
 H                  0.00997512   -0.58066439   -4.21027861
 H                  0.94371875   -2.05893158   -3.93370233
 C                 -1.45056886   -2.21968904   -2.40322434
 H                 -1.18404283   -3.23975840   -2.69633685
 H                 -2.08744045   -1.80031551   -3.18810652
 H                 -2.03469187   -2.26872420   -1.47848310
 C                  2.14844670   -1.51296718    2.15893481
 H                  1.64371596   -0.56012133    2.34459312
 C                  1.73368243   -2.50344327    3.25232501
 H                  2.23774811   -3.46802495    3.14447047
 H                  0.65601597   -2.67878706    3.24167816
 H                  2.00518620   -2.09125147    4.22954491
 C                  3.65932753   -1.25798802    2.13261183
 H                  3.96387274   -0.81431873    3.08600186
 H                  3.93174526   -0.57578046    1.32452873
 H                  4.22629309   -2.18319664    1.99340788
 Cl                 1.14314451    2.69169469   -2.27574074
 Cl                 3.66524480    0.21843703   -1.34752706

67

 Pd                 0.06249928   -0.04782017   -0.00448625
 N                  2.95927106    0.95875149   -0.12438144
 C                  6.68999229    0.57636213   -0.02145892
 H                  7.63633817    1.10672479   -0.07565881
 N                  2.95962679   -1.20009958    0.16034114
 C                  6.68663503   -0.81631210    0.15565858
 H                  7.63009203   -1.34849641    0.23571673
 C                  5.49096698   -1.53133110    0.23130995
 H                  5.49706410   -2.60760761    0.36826849
 N                 -2.85091373   -1.02497672   -0.11798360
 N                 -2.78237187    1.14131708    0.11799858
 C                  4.29821840   -0.81359624    0.12459052
 C                  4.29909292    0.58284156   -0.05619622
 C                  5.49918436    1.29545713   -0.12980968
 H                  5.51456887    2.36990954   -0.26579332
 C                  2.12133743   -0.12276257    0.00706643
 C                  2.51406756   -2.60170018    0.30257051
 H                  3.43187469   -3.18091627    0.44147942
 C                  1.83002596   -3.08512414   -0.98130080
 H                  1.54641183   -4.13926524   -0.88097781
 H                  2.50257521   -2.98448989   -1.84032566
 H                  0.93334078   -2.48689226   -1.17293452
 C                  1.64231909   -2.78635941    1.54882845
 H                  2.17506071   -2.45557389    2.44697979
 H                  1.38247925   -3.84510628    1.66487393
 H                  0.72384242   -2.19578417    1.45592791
 C                  2.44674541    2.32575716   -0.31759533
 H                  1.36041658    2.18311606   -0.32848940
 C                  2.86957113    2.89305306   -1.67629652
 H                  2.54994747    2.22123734   -2.47959006
 H                  3.95255480    3.03165122   -1.75470281
 H                  2.39380873    3.86780022   -1.83142792
 C                  2.80402221    3.22603841    0.86907651
 H                  2.33600467    4.20851099    0.74066182
 H                  3.88361848    3.37856206    0.96790550
 H                  2.43280627    2.78463363    1.79982934
 C                 -1.98104794    0.03221203   -0.00055965
 C                 -4.13304001    0.80119234    0.07246229
 C                 -4.17726539   -0.59993524   -0.07980821
 C                 -5.39693779   -1.27687175   -0.16174542
 H                 -5.44183425   -2.35274532   -0.27922096
 C                 -6.56723164   -0.52068195   -0.08827330
 H                 -7.52824721   -1.02311569   -0.14974260
 C                 -6.52333998    0.87393138    0.06238809
 H                 -7.45084980    1.43664870    0.11573078
 C                 -5.30792208    1.55423948    0.14472765
 H                 -5.28540852    2.63103235    0.25981503
 C                 -2.22125835    2.49246976    0.27653213
 H                 -1.14059023    2.31283042    0.27631437
 C                 -2.56403431    3.38173172   -0.92288549
 H                 -2.22302010    2.90956432   -1.85004918
 H                 -2.06039757    4.34957692   -0.82095605
 H                 -3.63910310    3.56986228   -1.00876459
 C                 -2.60579572    3.10152000    1.62870862
 H                 -3.68233698    3.27921071    1.71678278
 H                 -2.09480452    4.06207633    1.75825403
 H                 -2.29992272    2.43503360    2.44169239
 C                 -2.37559633   -2.41066444   -0.25664154
 H                 -1.28633296   -2.30230049   -0.23445093
 C                 -2.79546918   -3.26738074    0.94196380
 H                 -3.88104522   -3.39276885    1.00661438
 H                 -2.44720777   -2.80796814    1.87284562
 H                 -2.34579756   -4.26300271    0.85820141
 C                 -2.77113601   -3.00453341   -1.61203590
 H                 -2.32329431   -3.99823701   -1.72377521
 H                 -2.40416826   -2.36663402   -2.42266601
 H                 -3.85532101   -3.10961235   -1.72148217

5

 Sn                -0.32502370   -0.00000007    0.00003024
 Cl                -1.12969703   -1.87554280    1.08636318
 Cl                -1.12969097    1.87860546    1.08106323
 Cl                -1.12993944   -0.00305876   -2.16732911
 Br                 2.11056433   -0.00000179   -0.00009047

83

 Pd                 0.00817572    0.89681086    0.11421423
 N                  2.91631333    0.96284090   -0.87483253
 C                  6.63328143    1.23965094   -0.44091666
 H                  7.58312649    1.30604371   -0.96360346
 N                  2.89087700    0.99867281    1.30295042
 C                  6.61357418    1.25240329    0.96255132
 H                  7.54806675    1.32695888    1.51109409
 C                  5.41221112    1.17447396    1.66786833
 H                  5.40485952    1.19049281    2.75265963
 N                 -2.91030764   -0.13002133    0.18880594
 N                 -2.84006845    2.01539574   -0.19678695
 C                  4.23152143    1.08053288    0.92913682
 C                  4.24897735    1.06094537   -0.47851054
 C                  5.45412714    1.14466115   -1.18105007
 H                  5.48228355    1.14144496   -2.26365923
 C                  2.06674769    0.93845144    0.20633319
 C                  2.42865596    1.03174380    2.70605042
 H                  3.34263059    1.03087772    3.30737670
 C                  1.62627735   -0.22449928    3.05755289
 H                  1.36701831   -0.21321968    4.12243807
 H                  2.20901031   -1.12803065    2.84789022
 H                  0.70426496   -0.25342362    2.46551253
 C                  1.65758933    2.32410642    2.99619533
 H                  2.26642122    3.20174982    2.75198111
 H                  1.38877838    2.36842324    4.05792533
 H                  0.74335862    2.35291426    2.39327377
 C                  2.41945422    0.94603220   -2.26196129
 H                  1.33732560    0.82153665   -2.13848124
 C                  2.96346983   -0.25176496   -3.04881682
 H                  2.76483891   -1.18650634   -2.51645949
 H                  4.04021912   -0.18120442   -3.23079273
 H                  2.46501896   -0.29786935   -4.02395053
 C                  2.67099547    2.29306152   -2.94732900
 H                  2.23007683    2.28766092   -3.95037968
 H                  3.73944350    2.51131231   -3.04800276
 H                  2.20721466    3.09894734   -2.36911317
 C                 -2.04201662    0.91791480    0.01731041
 C                 -4.19105014    1.67620917   -0.15483303
 C                 -4.23589254    0.28953585    0.09636724
 C                 -5.45607615   -0.38195396    0.20917722
 H                 -5.50059165   -1.44571666    0.40748419
 C                 -6.62568974    0.36418969    0.06100940
 H                 -7.58711982   -0.13436107    0.14467765
 C                 -6.58102771    1.74395920   -0.19222075
 H                 -7.50817784    2.29901079   -0.30280753
 C                 -5.36511566    2.41937471   -0.30303043
 H                 -5.34165348    3.48506311   -0.49567039
 C                 -2.27570200    3.35575121   -0.42260524
 H                 -1.19432115    3.18177728   -0.37944298
 C                 -2.62465300    3.88002656   -1.81922761
 H                 -2.29642291    3.16617711   -2.58197840
 H                 -2.11232177    4.83269865   -1.99366064
 H                 -3.69896316    4.04755252   -1.94672558
 C                 -2.65369851    4.31616536    0.70955289
 H                 -3.73074653    4.50790817    0.75221596
 H                 -2.14545235    5.27593470    0.56462876
 H                 -2.34063584    3.90144074    1.67339976
 C                 -2.43995426   -1.50168952    0.45286732
 H                 -1.35193606   -1.40523392    0.42687628
 C                 -2.84357115   -1.97139492    1.85350222
 H                 -3.92801166   -2.07942913    1.96122594
 H                 -2.49355290   -1.25659388    2.60619321
 H                 -2.37806614   -2.94173604    2.05354720
 C                 -2.85641605   -2.46664391   -0.66025768
 H                 -2.41045315   -3.44741757   -0.46995895
 H                 -2.48708248   -2.10824906   -1.62587288
 H                 -3.94263810   -2.58785822   -0.72372568
 C                  0.41745974   -3.47794601    1.17563344
 C                  0.13800797   -4.64519256    1.87707762
 C                  0.64337119   -2.52310674   -1.24828148
 C                  0.43348551   -3.51398093   -0.22945894
 C                 -0.12497832   -5.85652093    1.20133866
 C                  0.50396440   -3.15736582   -2.45501014
 C                  0.16409347   -4.74658521   -0.89012486
 C                 -0.11475097   -5.92475405   -0.18834736
 N                  0.21851961   -4.49817124   -2.24732570
 H                  0.60983156   -2.54448630    1.69464603
 H                  0.12166748   -4.62875092    2.96361398
 H                  0.81527184   -1.46718694   -1.08110112
 H                 -0.34016335   -6.75292607    1.77663131
 H                  0.57862966   -2.76368725   -3.45922347
 H                 -0.32047851   -6.85718722   -0.70793885
 H                  0.07597947   -5.18391365   -2.97153271

83

 Pd                -0.10535184   -0.96881085   -0.39626546
 N                  3.01127724   -1.04459722   -0.57117204
 C                  6.52295670   -0.73009136    0.71951209
 H                  7.57376413   -0.79939286    0.45356050
 N                  2.46126461   -0.57752650    1.48268805
 C                  6.16305600   -0.39049679    2.03261475
 H                  6.93842175   -0.19446586    2.76744144
 C                  4.82285889   -0.30183166    2.41276384
 H                  4.55020093   -0.03814367    3.42926052
 N                 -1.87490662    1.60313488    0.40614872
 N                 -0.18926069    2.22214020   -0.82078236
 C                  3.85645993   -0.56095015    1.44008409
 C                  4.21367882   -0.88142936    0.11761811
 C                  5.55627221   -0.98045587   -0.25614267
 H                  5.84828857   -1.24665526   -1.26441445
 C                  1.92517727   -0.86182445    0.25233103
 C                  1.70126361   -0.24659494    2.70541167
 H                  2.40563394   -0.41081567    3.52771268
 C                  0.51444420   -1.18632345    2.92262946
 H                  0.04655457   -0.96044406    3.88755198
 H                  0.83804841   -2.23166493    2.92190096
 H                 -0.22789045   -1.06321695    2.12769859
 C                  1.29346105    1.23095854    2.69787033
 H                  2.17017968    1.87689746    2.57589528
 H                  0.80060269    1.49406056    3.64069441
 H                  0.60028959    1.42234455    1.87587810
 C                  2.86417980   -1.47700486   -1.97256743
 H                  1.78169698   -1.44737825   -2.13441304
 C                  3.33176134   -2.92585776   -2.14297166
 H                  2.76532790   -3.57944863   -1.47236925
 H                  4.39854447   -3.04001597   -1.92256457
 H                  3.15970490   -3.25441935   -3.17379949
 C                  3.53239660   -0.50434164   -2.95089373
 H                  3.26009915   -0.77853685   -3.97583157
 H                  4.62411850   -0.52016818   -2.88193422
 H                  3.19824690    0.52170749   -2.77114821
 C                 -0.77559826    1.12399839   -0.24940311
 C                 -0.89892801    3.38890275   -0.53054653
 C                 -1.99651396    2.98480780    0.25568242
 C                 -2.93411051    3.91278296    0.71555628
 H                 -3.78780162    3.60809239    1.30840708
 C                 -2.73848089    5.25286089    0.38130886
 H                 -3.45217168    5.99548774    0.72613707
 C                 -1.63731677    5.65753277   -0.39011333
 H                 -1.50898136    6.70912242   -0.62988983
 C                 -0.70311791    4.73304837   -0.85809008
 H                  0.14326419    5.05592902   -1.45226199
 C                  1.04157955    2.11490467   -1.61781910
 H                  1.23122178    1.03973460   -1.63891844
 C                  0.82472699    2.58974234   -3.05825228
 H                 -0.02093173    2.05921012   -3.50774150
 H                  1.72019282    2.37893872   -3.65332326
 H                  0.62722915    3.66414715   -3.12069808
 C                  2.22035942    2.79427391   -0.91302934
 H                  2.06591676    3.87205303   -0.79777771
 H                  3.13915724    2.64341320   -1.49024904
 H                  2.36551639    2.35790989    0.07975870
 C                 -2.79069743    0.71279776    1.14237709
 H                 -2.32449235   -0.26572477    1.04668203
 C                 -2.85154384    1.06358684    2.63182923
 H                 -3.33678780    2.02626079    2.82154030
 H                 -1.84381242    1.09773293    3.05917982
 H                 -3.42160026    0.28826975    3.15461638
 C                 -4.16128404    0.63436213    0.46674792
 H                 -4.76036573   -0.14107935    0.95438511
 H                 -4.04031847    0.35155831   -0.58298174
 H                 -4.70519706    1.58421643    0.51877916
 C                 -2.93973158   -2.78847818    1.15881097
 C                 -4.13648777   -3.21711065    1.72442508
 C                 -1.84730635   -1.96103901   -1.07411728
 C                 -2.89086834   -2.48180341   -0.21191156
 C                 -5.30011518   -3.35700183    0.93756840
 C                 -2.42634293   -1.88346342   -2.32262370
 C                 -4.07717173   -2.64453654   -0.98683963
 C                 -5.28365209   -3.07807201   -0.42641639
 N                 -3.76716154   -2.27280367   -2.27486250
 H                 -2.04231371   -2.68248262    1.76362197
 H                 -4.17906407   -3.45489858    2.78443825
 H                 -0.42422289   -2.52286615   -0.84339844
 H                 -6.22348820   -3.69373383    1.40194841
 H                 -1.99907318   -1.55806536   -3.26145323
 H                 -6.18014044   -3.18768246   -1.03247159
 H                 -4.38806308   -2.33803820   -3.06579976

83

 Pd                -0.11084708   -1.00863775   -0.30613442
 N                  2.94396085   -1.05188368   -0.59147462
 C                  6.51036011   -0.78082694    0.54646380
 H                  7.54725700   -0.89797030    0.24542796
 N                  2.48947841   -0.45885627    1.45499651
 C                  6.21324090   -0.35964303    1.85239795
 H                  7.02287891   -0.14935296    2.54494033
 C                  4.89346153   -0.20878852    2.27828825
 H                  4.66965369    0.11682963    3.28862784
 N                 -1.78553686    1.53967188    0.52485906
 N                 -0.20081368    2.09292781   -0.86371440
 C                  3.88265107   -0.48963764    1.35789698
 C                  4.17664403   -0.89105166    0.04309485
 C                  5.49989123   -1.05275229   -0.37624494
 H                  5.74332679   -1.38351211   -1.37795997
 C                  1.90445680   -0.79335376    0.26523174
 C                  1.78794959   -0.06490777    2.69468711
 H                  2.53349701   -0.18559639    3.48710402
 C                  0.62264509   -1.00110100    3.01899991
 H                  0.19429969   -0.72275983    3.98828738
 H                  0.96265259   -2.03996662    3.06821426
 H                 -0.15623535   -0.94339988    2.25354273
 C                  1.38475621    1.41213005    2.63212785
 H                  2.25738821    2.04449134    2.43384230
 H                  0.94230053    1.72549933    3.58416982
 H                  0.65214634    1.57204054    1.83909874
 C                  2.73296836   -1.57487230   -1.95747413
 H                  1.64830421   -1.52117240   -2.08905448
 C                  3.13997751   -3.04884733   -2.03295114
 H                  2.55876276   -3.62693957   -1.30833363
 H                  4.20622211   -3.19091260   -1.82620307
 H                  2.93026411   -3.44002700   -3.03429266
 C                  3.40206903   -0.69938489   -3.02243576
 H                  3.07979978   -1.03424221   -4.01410539
 H                  4.49411545   -0.75503546   -2.99282078
 H                  3.11512929    0.34999734   -2.90688621
 C                 -0.74381382    1.02961998   -0.19636859
 C                 -0.88127222    3.27593851   -0.56951385
 C                 -1.91062618    2.91538680    0.32099133
 C                 -2.79937280    3.87291517    0.81748470
 H                 -3.60153091    3.60509757    1.49332435
 C                 -2.62404330    5.19449191    0.40916434
 H                 -3.30133164    5.95808830    0.78028162
 C                 -1.59023027    5.55491371   -0.47016759
 H                 -1.47658167    6.59357710   -0.76650946
 C                 -0.70502963    4.60209147   -0.97310430
 H                  0.09000847    4.89003122   -1.65002704
 C                  0.96278716    1.95015953   -1.75222566
 H                  1.15110843    0.87562615   -1.74927341
 C                  0.63106390    2.36505585   -3.18913556
 H                 -0.24912783    1.82015755   -3.54539046
 H                  1.47514058    2.12160455   -3.84363730
 H                  0.43250534    3.43669229   -3.28310563
 C                  2.19099807    2.65550898   -1.16736399
 H                  2.04020702    3.73586864   -1.07628090
 H                  3.06169301    2.48875205   -1.81044671
 H                  2.41727251    2.25420696   -0.17469829
 C                 -2.66000064    0.70688284    1.37843837
 H                 -2.24857754   -0.29620865    1.27720292
 C                 -2.56632805    1.12313584    2.84993679
 H                 -2.97626188    2.12145587    3.03211333
 H                 -1.52673436    1.11356533    3.19045319
 H                 -3.13338745    0.41065350    3.45828395
 C                 -4.09291276    0.67061577    0.84083232
 H                 -4.65988563   -0.09138649    1.38438345
 H                 -4.08645136    0.39221585   -0.21551755
 H                 -4.60484313    1.63222649    0.95560962
 C                 -2.91363202   -3.03117109    0.97767016
 C                 -4.04758420   -3.69530499    1.43522016
 C                 -1.98535478   -1.54524003   -0.96247252
 C                 -2.95367390   -2.35506892   -0.25385800
 C                 -5.23764901   -3.70253017    0.67636220
 C                 -2.64363148   -1.12672512   -2.09341941
 C                 -4.17187860   -2.37365639   -0.99853909
 C                 -5.31429941   -3.04488804   -0.54899838
 N                 -3.96277282   -1.60596189   -2.12172589
 H                 -1.98977577   -3.03083278    1.55206222
 H                 -4.02007372   -4.22343329    2.38545067
 H                  0.19182932   -2.57834692   -0.42785705
 H                 -6.10983458   -4.23161225    1.05279323
 H                 -2.30067717   -0.49004942   -2.89948138
 H                 -6.23385775   -3.04791651   -1.13053607
 H                 -4.60136622   -1.52651965   -2.89729313

102

 Pd                 0.38580917    0.40870330   -0.41333137
 N                 -2.12141059   -1.32824321   -0.74646871
 C                 -5.02085722   -3.41905974    0.38931664
 H                 -5.94229992   -3.89983363    0.07442095
 N                 -1.52665324   -1.42815475    1.34771600
 C                 -4.61429240   -3.51547303    1.73004828
 H                 -5.21985549   -4.07708735    2.43518300
 C                 -3.44492619   -2.89688740    2.17467253
 H                 -3.13851426   -2.97101166    3.21268130
 N                  3.21274649   -0.60652780    0.60114142
 N                  2.33287140   -2.04919024   -0.77259688
 C                 -2.69720867   -2.18207410    1.23754749
 C                 -3.09096241   -2.10184478   -0.10955935
 C                 -4.26766833   -2.71318842   -0.54836922
 H                 -4.60377465   -2.62782945   -1.57353814
 C                 -1.16211152   -0.90523729    0.13544774
 C                 -0.77420892   -1.30603492    2.61413962
 H                 -1.47979696   -1.61853991    3.39008024
 C                 -0.37842685    0.14087861    2.91281728
 H                  0.13931403    0.18506309    3.87722182
 H                 -1.26240562    0.78357608    2.96350153
 H                  0.28084865    0.53606154    2.13408729
 C                  0.41331533   -2.27435437    2.62581668
 H                  0.07772446   -3.30038022    2.43809704
 H                  0.91345183   -2.24894081    3.60032756
 H                  1.13629280   -1.99792698    1.85643542
 C                 -2.14232465   -0.90881000   -2.16483857
 H                 -1.19701074   -0.37242374   -2.28822110
 C                 -3.27740925    0.08512642   -2.42128327
 H                 -3.11509693    0.98853561   -1.83090621
 H                 -4.25746991   -0.32536076   -2.15837817
 H                 -3.29053852    0.36033459   -3.48185147
 C                 -2.14941762   -2.11374428   -3.11241116
 H                 -1.98665347   -1.76264244   -4.13691017
 H                 -3.09706287   -2.65977197   -3.09694207
 H                 -1.35064493   -2.81834519   -2.86106896
 C                  2.10221042   -0.85022904   -0.15527466
 C                  3.57701587   -2.57189772   -0.41439235
 C                  4.14785678   -1.63448159    0.46762921
 C                  5.41435883   -1.84474102    1.01973188
 H                  5.86704012   -1.12495753    1.68989264
 C                  6.08606722   -3.01674174    0.67430855
 H                  7.07211679   -3.20446737    1.08903516
 C                  5.51210338   -3.95585498   -0.19778882
 H                  6.05872612   -4.86112067   -0.44530986
 C                  4.25117314   -3.74741151   -0.75560644
 H                  3.81722085   -4.47797669   -1.42730903
 C                  1.35001728   -2.67102318   -1.67341370
 H                  0.54690862   -1.93427302   -1.71848238
 C                  1.90976782   -2.84333158   -3.08891321
 H                  2.28757443   -1.88660482   -3.46382836
 H                  1.11198015   -3.18484914   -3.75744767
 H                  2.72211302   -3.57469362   -3.13451478
 C                  0.78631349   -3.95955781   -1.06495091
 H                  1.56063989   -4.71928426   -0.91930156
 H                  0.01928715   -4.38153819   -1.72298876
 H                  0.32619274   -3.74638915   -0.09511289
 C                  3.37367775    0.61270827    1.42008057
 H                  2.44415931    1.15700895    1.26333793
 C                  3.48955460    0.27482414    2.90987207
 H                  4.41098412   -0.26511307    3.14932426
 H                  2.64164442   -0.33608673    3.23468206
 H                  3.48467816    1.20497834    3.48788901
 C                  4.51279981    1.49079451    0.89609838
 H                  4.48681164    2.45605631    1.41100617
 H                  4.37449883    1.67799375   -0.17155680
 H                  5.49647783    1.03646508    1.05680808
 C                  1.45127852    3.68970049    0.89569377
 C                  1.94306731    4.91129796    1.34586374
 C                  1.58510229    1.95337623   -1.05637118
 C                  1.86902746    3.18375318   -0.34754594
 C                  2.85938345    5.65192555    0.56876226
 C                  2.34391598    2.03009367   -2.19924784
 C                  2.80757621    3.94780431   -1.10626375
 C                  3.30302656    5.17954980   -0.66406153
 N                  3.09396252    3.21607342   -2.23509657
 H                  0.74506129    3.11825897    1.49182923
 H                  1.61744292    5.30607218    2.30543505
 H                 -0.77177772    1.46684142   -0.69270076
 H                  3.22736560    6.60597101    0.93825040
 H                  2.43906394    1.32622077   -3.01665929
 H                  4.01680001    5.74710655   -1.25746474
 H                  3.64539695    3.54045046   -3.01369230
 H                 -7.42060012    1.78620847   -1.03972487
 H                 -5.58007064    3.42567437   -1.12830962
 C                 -6.50760061    1.60006877   -0.47932910
 C                 -5.46436301    2.52216918   -0.53697133
 H                 -2.72911552    3.47696263    2.18453127
 C                 -6.38882143    0.45014500    0.30600216
 H                 -7.20007995   -0.27153428    0.35317067
 C                 -4.26747526    2.31461391    0.17341637
 C                 -3.12730189    3.26220652    0.06316596
 C                 -2.18487793    3.36146376    1.23850574
 C                 -2.90095978    3.96308694   -1.05933417
 H                 -1.49200080    4.19830964    1.11886273
 C                 -5.21950137    0.24021187    1.03817557
 C                 -4.17428432    1.16210505    0.97435700
 H                 -3.51702921    3.85292047   -1.94728773
 H                 -2.05750783    4.64298375   -1.13421076
 H                 -5.11361317   -0.65186251    1.64770771
 H                 -3.26106694    0.96332895    1.52481413
 H                 -1.57332803    2.45385421    1.30222383

102

 Pd                 0.83743860   -0.29939858    0.40019838
 N                 -1.98033471   -0.44277394    1.26345463
 C                 -5.43664106    1.02011110    1.39627088
 H                 -6.30158196    1.18660526    2.03193699
 N                 -1.99205398    0.33972317   -0.78811704
 C                 -5.46721893    1.44244916    0.06113870
 H                 -6.35951491    1.92135806   -0.33125784
 C                 -4.36299788    1.26089240   -0.77670374
 H                 -4.39039009    1.58097753   -1.81161229
 N                  2.09458928    2.18622193   -0.72009184
 N                  0.51476612    2.84624877    0.64098160
 C                 -3.23623489    0.64319882   -0.23667138
 C                 -3.21774262    0.17783525    1.09039400
 C                 -4.31304429    0.38102121    1.93177943
 H                 -4.30604314    0.05860640    2.96442597
 C                 -1.19843947   -0.32224085    0.12067246
 C                 -1.67423410    0.73104248   -2.18034344
 H                 -2.53604897    0.38529097   -2.76329580
 C                 -0.43165929    0.04713570   -2.73499258
 H                 -0.39865394    0.20926290   -3.81833603
 H                 -0.45092233   -1.01858688   -2.53667963
 H                  0.47391729    0.45685131   -2.28962953
 C                 -1.54749030    2.25648927   -2.31832222
 H                 -2.43875704    2.78441943   -1.96920562
 H                 -1.39762727    2.51206564   -3.37327283
 H                 -0.68730177    2.62232078   -1.75234069
 C                 -1.51318451   -1.13424356    2.48607226
 H                 -0.68714987   -1.75062280    2.13135043
 C                 -2.58285862   -2.04554288    3.11188479
 H                 -3.22448330   -2.51148596    2.36205001
 H                 -3.22419257   -1.50814391    3.81718441
 H                 -2.08022061   -2.84044322    3.67234005
 C                 -0.96089936   -0.15855920    3.53178647
 H                 -0.70842955   -0.70656083    4.44703531
 H                 -1.70222071    0.60688974    3.79020666
 H                 -0.05303969    0.32522720    3.16477184
 C                  1.08481177    1.72400918    0.09209277
 C                  1.18100484    4.00172073    0.22382367
 C                  2.20167082    3.57395310   -0.64695790
 C                  3.08395380    4.48908166   -1.22729913
 H                  3.88551711    4.16813993   -1.88003464
 C                  2.90979687    5.83994519   -0.92579736
 H                  3.58302399    6.57144574   -1.36303525
 C                  1.88693383    6.26723180   -0.06584452
 H                  1.77604023    7.32545188    0.15168926
 C                  1.01069952    5.35549861    0.52393876
 H                  0.23356511    5.69552499    1.19647576
 C                 -0.55980758    2.79176049    1.64698779
 H                 -0.82953000    1.73978475    1.68176656
 C                 -0.02577687    3.20187317    3.02410501
 H                  0.84066033    2.59021660    3.29476879
 H                 -0.80298780    3.05665667    3.78169890
 H                  0.27739061    4.25329265    3.04590732
 C                 -1.80823437    3.57707004    1.23041244
 H                 -1.64357094    4.65828727    1.22091147
 H                 -2.61480240    3.36347361    1.93939958
 H                 -2.14879023    3.26827663    0.24104060
 C                  3.03158406    1.27179970   -1.40649164
 H                  2.57108411    0.28874570   -1.27384831
 C                  3.13033902    1.55545256   -2.90814455
 H                  3.67201054    2.47950789   -3.12988029
 H                  2.13706990    1.62435282   -3.36180324
 H                  3.67108805    0.73284101   -3.38833931
 C                  4.38449250    1.24303960   -0.69158855
 H                  5.02791675    0.48797556   -1.15462937
 H                  4.24002860    0.96426636    0.35671349
 H                  4.89145148    2.21315975   -0.73781419
 C                  3.65275269   -2.46412687   -0.90197601
 C                  4.76182787   -3.21640407   -1.27971079
 C                  2.05621134   -1.88316486    1.10258328
 C                  3.15857357   -2.55092043    0.41081236
 C                  5.40177235   -4.07200409   -0.36023844
 C                  2.12199045   -2.42002416    2.38232746
 C                  3.82606247   -3.43044314    1.31277646
 C                  4.94072681   -4.19147771    0.94903708
 N                  3.15990088   -3.33502952    2.51847021
 H                  3.14916981   -1.82245807   -1.62145889
 H                  5.13907029   -3.15111960   -2.29747455
 H                 -0.00948145   -3.54098787    1.05593613
 H                  6.26644120   -4.64986454   -0.67676705
 H                  1.50140992   -2.21194132    3.24673250
 H                  5.43350822   -4.85217717    1.65897694
 H                  3.40249961   -3.83989996    3.35750294
 H                 -5.51425035   -2.12078977   -0.60233814
 H                 -3.43831243   -2.88321171    0.40793859
 C                 -4.64323801   -2.27621662   -1.23389355
 C                 -3.45844890   -2.70655173   -0.65886566
 H                  0.20499166   -4.47624225   -2.06670782
 C                 -4.72056704   -2.01617377   -2.60862302
 H                 -5.64878219   -1.67292479   -3.05619855
 C                 -2.26272685   -2.87360986   -1.41723523
 C                 -1.00692104   -3.21455773   -0.81446288
 C                  0.22079937   -3.45360185   -1.64835172
 C                 -0.90834869   -3.88332957    0.52262415
 H                  1.11596265   -3.37196805   -1.02850481
 C                 -3.58459962   -2.23861220   -3.39563669
 C                 -2.39152973   -2.66256536   -2.82277813
 H                 -1.77948210   -3.74757539    1.16306511
 H                 -0.78227249   -4.97144245    0.38052778
 H                 -3.63184341   -2.08689546   -4.47191843
 H                 -1.54192941   -2.84552732   -3.47093154
 H                  0.33958724   -2.76824828   -2.49059353

102

 Pd                -0.14553764   -0.79466055   -0.16228364
 N                  2.72958436    0.46161132   -0.57238685
 C                  5.40711075    3.00559846    0.10286266
 H                  6.29631728    3.48230764   -0.29902655
 N                  1.97350377    1.08834316    1.37345197
 C                  4.92636853    3.39080717    1.36457826
 H                  5.44868265    4.15956350    1.92625712
 C                  3.78011116    2.80907033    1.90471462
 H                  3.40170003    3.12132666    2.87185201
 N                 -2.39275138    1.44821190    0.59405830
 N                 -1.03798998    2.16739022   -0.94649037
 C                  3.13696847    1.82763999    1.14703452
 C                  3.62152112    1.42946667   -0.10575292
 C                  4.76418659    2.02360845   -0.65006621
 H                  5.14304635    1.74392543   -1.62418478
 C                  1.69563128    0.25854137    0.31504636
 C                  1.21279013    1.30956535    2.62451513
 H                  1.98803336    1.47516333    3.38233590
 C                  0.40712925    0.09651050    3.08127113
 H                 -0.12049544    0.35291977    4.00573090
 H                  1.06164311   -0.75153823    3.29291936
 H                 -0.31899512   -0.21688318    2.32718738
 C                  0.37769141    2.59341240    2.51989342
 H                  0.99715820    3.43913521    2.20467158
 H                 -0.05952738    2.83562352    3.49482171
 H                 -0.43159732    2.47593384    1.80043988
 C                  2.99375964   -0.39292104   -1.75320773
 H                  2.23783094   -1.17229403   -1.68654979
 C                  4.38245292   -1.03902642   -1.65508406
 H                  4.58115277   -1.39172008   -0.64258570
 H                  5.17994514   -0.35242970   -1.95449435
 H                  4.41809325   -1.90359880   -2.32301468
 C                  2.82427053    0.34960300   -3.08427629
 H                  3.14273973   -0.30926911   -3.89926377
 H                  3.43750745    1.25575116   -3.12858346
 H                  1.78524797    0.62351695   -3.27020251
 C                 -1.29243476    1.09076305   -0.14046442
 C                 -1.95004792    3.20060132   -0.72960175
 C                 -2.82595462    2.73534450    0.26434335
 C                 -3.87260939    3.53718124    0.73151666
 H                 -4.55778376    3.19135113    1.49396448
 C                 -4.01396273    4.80790187    0.17790244
 H                 -4.81889980    5.44967639    0.52377167
 C                 -3.13718493    5.27153063   -0.81648757
 H                 -3.27198498    6.26723682   -1.22860551
 C                 -2.09405143    4.47573785   -1.28523713
 H                 -1.42329466    4.84270343   -2.05164432
 C                  0.02206491    2.17300396   -1.96206477
 H                  0.48654839    1.19595261   -1.83984648
 C                 -0.57200429    2.24440378   -3.37357238
 H                 -1.28510466    1.42730267   -3.52260692
 H                  0.22642413    2.14990848   -4.11726683
 H                 -1.09102277    3.18927604   -3.55921015
 C                  1.07184786    3.25155920   -1.67856711
 H                  0.67716867    4.26251431   -1.81623802
 H                  1.92049519    3.12628542   -2.35742090
 H                  1.44328953    3.16565445   -0.65407843
 C                 -3.10482711    0.54578772    1.52066764
 H                 -2.52404364   -0.37295586    1.49040213
 C                 -3.10925121    1.07547551    2.95926920
 H                 -3.72476088    1.97260853    3.07352680
 H                 -2.09937004    1.31215655    3.29915036
 H                 -3.52161269    0.30306517    3.61721183
 C                 -4.51557208    0.24084406    1.00372962
 H                 -4.93072585   -0.60112599    1.56416634
 H                 -4.47926319   -0.04909591   -0.04810995
 H                 -5.18722671    1.09815400    1.11230192
 C                 -3.17276730   -2.82184823    1.14954383
 C                 -4.34739790   -3.47689382    1.50164130
 C                 -1.93827128   -1.60750802   -0.83221262
 C                 -2.99471230   -2.34957167   -0.16577561
 C                 -5.37444553   -3.68387269    0.55568357
 C                 -2.41037568   -1.41774980   -2.11149005
 C                 -4.05592058   -2.57127167   -1.09749148
 C                 -5.23987762   -3.23379341   -0.75355942
 N                 -3.67862780   -1.98318670   -2.28146226
 H                 -2.38571342   -2.67453373    1.88413982
 H                 -4.47664678   -3.84320306    2.51709719
 H                  1.18522646   -2.82792520   -2.46688368
 H                 -6.28192821   -4.20322011    0.85283644
 H                 -1.94098881   -0.92124451   -2.95143007
 H                 -6.03197118   -3.38512455   -1.48364122
 H                 -4.18511834   -2.04692169   -3.15040849
 H                  5.12285577   -4.63819017   -0.59063757
 H                  2.88459798   -4.23707644   -1.48317876
 C                  4.42744120   -4.02463303   -0.02164412
 C                  3.14567016   -3.78970496   -0.53090255
 H                  0.42437867   -4.80549167    0.64418309
 C                  4.82105841   -3.47084414    1.19483756
 H                  5.81975348   -3.64411956    1.58733137
 C                  2.20254241   -3.00365831    0.15905405
 C                  0.75569990   -2.86376318   -0.30073067
 C                 -0.03843080   -3.80342690    0.63620867
 C                  0.56814310   -3.37301938   -1.73902566
 H                 -1.06870391   -3.91850914    0.30341537
 C                  3.90097856   -2.69007055    1.90380664
 C                  2.62269017   -2.47727073    1.39546176
 H                  0.82543387   -4.44253419   -1.83171867
 H                 -0.47234671   -3.26410400   -2.04564255
 H                  4.17948304   -2.25219418    2.86023707
 H                  1.91283070   -1.88922254    1.96105266
 H                 -0.04793290   -3.44535416    1.67211423

26

 Sn                -1.62225110    0.13297648    0.01591200
 Pd                 0.85965400   -0.40891672   -0.06078010
 Cl                -1.78384836    2.49900716    0.27789416
 Cl                -2.86110068   -0.27032253   -1.92435635
 Cl                -2.86302493   -0.67488198    1.82223226
 Cl                -0.08907781   -2.54781557   -0.22159090
 C                  1.64236680    1.61003181   -0.66277528
 H                  0.76491749    2.12215604   -1.05630247
 C                  1.73955740    1.54298426    0.72009632
 H                  0.91017254    1.97881138    1.27392559
 C                  3.25569006   -0.95159146   -0.68411763
 H                  3.06241797   -1.77970432   -1.36436770
 C                  2.71964752    1.34308534   -1.69272883
 H                  3.19365445    2.30095181   -1.95657929
 H                  2.21860322    0.99807684   -2.60502836
 C                  3.06279023   -1.18520150    0.64471165
 H                  2.76824932   -2.19445021    0.92806544
 C                  3.81051008    0.31585301   -1.30146234
 H                  4.53941283    0.77228182   -0.62755348
 H                  4.36092873    0.04919405   -2.21005750
 C                  3.00361866    1.26273305    1.52372853
 H                  3.85553616    1.72893458    1.02114237
 H                  2.90863378    1.76923993    2.48951875
 C                  3.29289481   -0.23454493    1.80176164
 H                  4.32491206   -0.34047276    2.16729159
 H                  2.64845973   -0.56555214    2.62389941

21

 Pd                -1.21493448   -0.00165317    0.00069585
 C                  0.34711524    1.34040561    1.05492434
 H                 -0.27037103    2.06821488    1.58355957
 C                  0.52686206    0.11575240    1.65419241
 H                  0.01183207   -0.06504209    2.59644752
 C                  0.52379191   -0.11481323   -1.65440197
 H                  0.00718427    0.06320137   -2.59632902
 C                  1.12177216    1.91042644   -0.12080489
 H                  2.02220968    2.43011239    0.24579073
 H                  0.49427401    2.68692760   -0.57528814
 C                  0.35066647   -1.34041661   -1.05509984
 H                 -0.26465913   -2.07070662   -1.58279817
 C                  1.55812377    0.91921746   -1.24199515
 H                  2.47852051    0.40869087   -0.94195730
 H                  1.82651940    1.51910223   -2.11976871
 C                  1.56438743   -0.91385168    1.23943537
 H                  2.48178137   -0.39970232    0.93643159
 H                  1.83785119   -1.51246555    2.11652717
 C                  1.12864616   -1.90714019    0.11990372
 H                  2.02975006   -2.42495342   -0.24776269
 H                  0.50390252   -2.68481466    0.57621443

5

 Sn                 0.00000000    0.00000000    0.00000000
 Cl                -0.00000000    1.88351818    1.33183341
 Cl                -0.00000000   -1.88351818    1.33183341
 Cl                 1.88351818   -0.00000000   -1.33183341
 Cl                -1.88351818    0.00000000   -1.33183341

37

 Pd                -0.73764954   -1.10243218   -0.34662808
 C                 -2.86042001   -0.51673235   -0.10883835
 H                 -3.32309761   -1.46548776   -0.39282830
 C                 -2.30933037   -0.47380993    1.16449240
 H                 -2.38534340   -1.39602687    1.73967493
 C                 -1.25570088    2.17654381   -0.74524157
 H                 -0.83180444    2.46001265   -1.70884240
 C                 -3.28239919    0.62506868   -1.01875221
 H                 -4.38428156    0.66159934   -1.01731553
 H                 -3.00220434    0.36127238   -2.04874453
 C                 -0.38971079    1.92887620    0.24672913
 H                  0.66737429    2.05621199    0.01959159
 C                 -2.75903588    2.04708293   -0.71199194
 H                 -3.16052969    2.38626993    0.24621473
 H                 -3.18816741    2.71910620   -1.46630364
 C                 -1.96722368    0.75639022    1.99974078
 H                 -2.80219280    1.46398399    1.97058305
 H                 -1.89618868    0.43667817    3.04694192
 C                 -0.64655349    1.48788480    1.66856585
 H                 -0.56302003    2.36188944    2.33547104
 H                  0.18479816    0.82764772    1.94774458
 H                  3.64889114    2.47375291   -1.72461324
 C                  3.31469175    1.67057073   -1.07385283
 H                  4.16686750    2.57548038    0.69408292
 C                  3.61059324    1.72864690    0.30192040
 C                  2.59226977    0.60587939   -1.60706914
 C                  3.20591176    0.71664171    1.17045263
 H                  2.34697283    0.57563976   -2.66525015
 C                  2.16044741   -0.41673213   -0.75320199
 H                  3.43735363    0.75919724    2.23143477
 C                  2.49774604   -0.35706407    0.62524444
 C                  1.35079892   -1.61011093   -0.94279112
 N                  1.99325046   -1.49446904    1.23638150
 C                  1.24779636   -2.22744449    0.31511285
 H                  1.16568801   -2.10161173   -1.89328132
 H                  1.89719145   -1.59734956    2.23547508
 H                  0.94153292   -3.23525143    0.55706947

37

 Pd                -0.72108570   -0.59861397   -0.53548978
 C                 -2.66850534    0.46064883   -1.38378163
 H                 -2.46381981    0.29850295   -2.44136940
 C                 -3.17291564   -0.59692349   -0.67896432
 H                 -3.29509259   -1.53428877   -1.21891522
 C                 -1.29933079    1.28385306    1.23779793
 H                 -0.29526573    1.69976561    1.30499253
 C                 -2.53171467    1.90377457   -0.94135460
 H                 -3.40731526    2.47396999   -1.29005774
 H                 -1.67020153    2.32464817   -1.47461788
 C                 -1.50410499    0.07165503    1.80661080
 H                 -0.65763815   -0.37697132    2.32461439
 C                 -2.34290482    2.16105584    0.57695692
 H                 -3.29966851    2.06118473    1.09563062
 H                 -2.04519504    3.20928357    0.69849778
 C                 -3.78716253   -0.55013960    0.71123382
 H                 -4.34693772    0.38087519    0.83422425
 H                 -4.52898440   -1.35389547    0.78564193
 C                 -2.78752475   -0.72772309    1.88347471
 H                 -3.30844654   -0.50872356    2.82860144
 H                 -2.50516403   -1.78640427    1.93669620
 H                  3.34804318    3.26183885   -0.29011059
 C                  3.36209392    2.18438105   -0.14764207
 H                  5.42003966    2.17247802    0.51993012
 C                  4.54314296    1.56485821    0.31244360
 C                  2.22255815    1.43613295   -0.42154082
 C                  4.60644264    0.18784937    0.50362752
 H                  1.31247319    1.91070593   -0.78066155
 C                  2.25144643    0.04344544   -0.23821125
 H                  5.51688878   -0.28944989    0.85823946
 C                  3.45726093   -0.55874517    0.22314427
 C                  1.26744925   -1.00707850   -0.39757620
 N                  3.22252553   -1.91446264    0.31976343
 C                  1.91627347   -2.17819215   -0.07124332
 H                  0.19112624   -1.27820674   -1.65421452
 H                  3.90193746   -2.60563246    0.59574141
 H                  1.55045911   -3.19531345   -0.08852933

37

 Pd                -0.77863573   -0.58247783   -0.59978144
 C                 -2.76036292    0.48713735   -1.30213904
 H                 -2.65765685    0.32106681   -2.37357790
 C                 -3.20907185   -0.56442025   -0.55161993
 H                 -3.39213440   -1.49994265   -1.07662714
 C                 -1.10663433    1.25613487    1.15245643
 H                 -0.09540117    1.65688233    1.14643006
 C                 -2.55310800    1.92629524   -0.87430816
 H                 -3.45021359    2.51302784   -1.12684524
 H                 -1.74547751    2.33304537   -1.49529006
 C                 -1.27952805    0.04061902    1.73542369
 H                 -0.39712322   -0.42012866    2.17599381
 C                 -2.19427174    2.16706944    0.61473488
 H                 -3.08990489    2.08784287    1.23610598
 H                 -1.85470544    3.20492125    0.70933748
 C                 -3.68116417   -0.51251296    0.89305951
 H                 -4.20036894    0.43169684    1.07676319
 H                 -4.43156951   -1.29821596    1.03732116
 C                 -2.56814846   -0.72542214    1.95022620
 H                 -2.97283547   -0.49323190    2.94752057
 H                 -2.31068386   -1.79116257    1.97206212
 H                  3.41941297    3.23224877   -0.27623678
 C                  3.39817924    2.15439160   -0.13680384
 H                  5.48167997    2.05930779    0.43962608
 C                  4.57379888    1.48733672    0.26666021
 C                  2.22109503    1.45092097   -0.36770325
 C                  4.59345760    0.10626601    0.43685321
 H                  1.32405973    1.96488488   -0.70542415
 C                  2.19818239    0.05597523   -0.18996943
 H                  5.50231032   -0.40967611    0.73795969
 C                  3.40595963   -0.59534222    0.20295580
 C                  1.17543955   -0.95819599   -0.33009653
 N                  3.13189149   -1.94266421    0.28001746
 C                  1.79690631   -2.15328177   -0.05761857
 H                 -0.49885278   -1.41813757   -1.88698136
 H                  3.80011744   -2.66112049    0.50956654
 H                  1.39897548   -3.15850582   -0.07054722

56

 Pd                -0.34092766   -0.63438159   -0.67696723
 C                  0.50486910   -2.85876617   -0.97902561
 H                  0.39906537   -2.88275953   -2.06296748
 C                  1.59859182   -2.21586038   -0.47521345
 H                  2.26016067   -1.72356719   -1.18492693
 C                 -0.97255565   -1.85753080    1.51659293
 H                 -2.00061831   -1.50542730    1.55899831
 C                 -0.51387158   -3.70108322   -0.23587755
 H                 -0.22211776   -4.76135226   -0.29680083
 H                 -1.46039946   -3.61958291   -0.78420877
 C                  0.00288472   -0.96060015    1.81207855
 H                 -0.31446447    0.04312222    2.09102386
 C                 -0.77563918   -3.33833295    1.24986774
 H                  0.03210160   -3.72353650    1.87763120
 H                 -1.68072211   -3.87104322    1.56423269
 C                  2.09358366   -2.26781942    0.95949767
 H                  1.93123636   -3.27041463    1.36530973
 H                  3.17935242   -2.11843018    0.94856383
 C                  1.49378225   -1.19700134    1.90483508
 H                  1.75646189   -1.45251966    2.94327558
 H                  1.98652434   -0.24585589    1.69862258
 H                 -5.87945140   -1.18209036    0.36544040
 C                 -5.25195367   -0.30948504    0.20284258
 H                 -6.87285849    1.08046632    0.55410352
 C                 -5.81965749    0.97778359    0.30606923
 C                 -3.90800282   -0.47463369   -0.11284269
 C                 -5.05569581    2.11913576    0.08344605
 H                 -3.48082901   -1.46891939   -0.21845201
 C                 -3.09900429    0.65622387   -0.32667603
 H                 -5.49529136    3.11164365    0.15056782
 C                 -3.70474578    1.94551093   -0.23651917
 C                 -1.70184531    0.84437619   -0.65739498
 N                 -2.72731248    2.87198843   -0.52207573
 C                 -1.53589097    2.20248063   -0.79484896
 H                 -0.27239889   -0.17673623   -2.16620982
 H                 -2.86582723    3.86874803   -0.57394959
 H                 -0.65932666    2.77180090   -1.07049853
 H                  5.96419892    1.59528535   -1.25232451
 C                  5.45218305    0.65521787   -1.49252925
 C                  1.53083486    2.37850320    1.08285412
 C                  2.06168761    1.86306053   -0.09713240
 H                  1.44142430    1.84182430   -0.98496138
 H                  5.76134332    0.34171378   -2.49358402
 H                  0.50171963    2.72491493    1.09191707
 C                  2.30922836    2.43164932    2.24261168
 C                  3.37999955    1.36941604   -0.15579836
 C                  3.94813766    0.80794098   -1.41236775
 C                  3.62100360    1.95690551    2.20490077
 C                  4.14830572    1.43422178    1.02202553
 H                  1.89701354    2.83658311    3.16284408
 C                  3.17981453    0.43470223   -2.45064776
 H                  5.81881017   -0.09823672   -0.78281192
 H                  4.23911616    1.98854925    3.09841734
 H                  3.62834774    0.04871698   -3.36219865
 H                  5.16953397    1.06801927    1.02597859
 H                  2.09549084    0.48062640   -2.43249721

56

 Pd                -2.07386466   -0.69161568    0.16953110
 C                 -3.65522184   -0.91151517   -1.47712309
 H                 -3.16547711   -1.67998237   -2.07690799
 C                 -4.26237581   -1.33113605   -0.31526750
 H                 -4.18130641   -2.39226871   -0.08275301
 C                 -3.39329871    1.87968879   -0.14477107
 H                 -2.52547699    2.52401903   -0.27197127
 C                 -3.80081952    0.41129774   -2.20424636
 H                 -4.51258490    0.28125806   -3.03587973
 H                 -2.83267276    0.63319432   -2.67290069
 C                 -3.57544694    1.33442459    1.07753383
 H                 -2.87590667    1.63319075    1.85640396
 C                 -4.23519103    1.64799843   -1.37500873
 H                 -5.29208084    1.56532369   -1.10908346
 H                 -4.15903718    2.52444482   -2.03045145
 C                 -5.28277097   -0.56054187    0.51356290
 H                 -5.97689637   -0.03725596   -0.15064920
 H                 -5.89412035   -1.28577363    1.06371127
 C                 -4.69238919    0.42752649    1.55030805
 H                 -5.51216476    1.03724405    1.96293378
 H                 -4.30006932   -0.15544038    2.39221591
 H                  1.57915641    3.50442745   -1.14995373
 C                  1.62892722    2.70407420   -0.41577044
 H                  3.61330486    3.26477778    0.24938241
 C                  2.78647167    2.57307479    0.38644485
 C                  0.56467069    1.82204325   -0.27656476
 C                  2.89176810    1.57034555    1.34450698
 H                 -0.31834115    1.90502400   -0.90542472
 C                  0.63180085    0.79087293    0.67934916
 H                  3.79496266    1.45687120    1.93778811
 C                  1.81298328    0.69048513    1.47845584
 C                 -0.26814559   -0.28612196    1.03055786
 N                  1.64778349   -0.40456708    2.29607534
 C                  0.38931481   -0.96504707    2.04126220
 H                  0.81913807   -1.04029504   -2.48220536
 H                  2.29342198   -0.69445482    3.01441700
 H                  0.06244018   -1.80996988    2.63431119
 H                  2.64092588   -3.28153995   -0.36645790
 C                  1.92089155   -2.48501897   -0.59165461
 C                  5.69216874    0.75090654   -1.04015460
 C                  4.46338518    0.27162184   -1.47014853
 H                  3.98320019    0.74338685   -2.31913928
 H                  1.11666137   -2.89584143   -1.21022610
 H                  6.15351859    1.58487465   -1.56234550
 C                  6.33133961    0.17987252    0.06590037
 C                  3.82186488   -0.82304311   -0.81643365
 C                  2.55488699   -1.30337373   -1.24082076
 C                  5.71908725   -0.89026345    0.73744003
 C                  4.49945976   -1.38527752    0.30944998
 H                  7.28996764    0.56248252    0.40440047
 C                  1.83251899   -0.64663943   -2.38153464
 H                  1.44397473   -2.18880126    0.35866993
 H                  6.20592640   -1.33517294    1.60168266
 H                  2.36562747   -0.81530544   -3.33211395
 H                  4.03598536   -2.19556503    0.86056381
 H                  1.75593305    0.43591139   -2.24061525

56

 Pd                -0.79998509    0.31128454    0.11600672
 C                 -3.01961665    0.49153953    1.17688076
 H                 -2.67502361    0.80587078    2.15969287
 C                 -3.09591610    1.44920645    0.21122894
 H                 -2.77166273    2.44987111    0.48527527
 C                 -2.29174193   -1.45512046   -1.06396506
 H                 -1.57117255   -2.26705550   -0.99619491
 C                 -3.51165037   -0.94045363    1.13596728
 H                 -4.51034624   -0.98890580    1.59772202
 H                 -2.85227238   -1.52718116    1.78760113
 C                 -2.00121725   -0.44684167   -1.92816228
 H                 -1.09076037   -0.55703649   -2.51438251
 C                 -3.56030893   -1.62269560   -0.25225210
 H                 -4.42417796   -1.26594719   -0.81867541
 H                 -3.72873370   -2.69346686   -0.08977400
 C                 -3.75208441    1.31801767   -1.15250246
 H                 -4.64912032    0.69875870   -1.07346180
 H                 -4.10140046    2.30981347   -1.46225102
 C                 -2.82658216    0.77525657   -2.26924227
 H                 -3.43052650    0.57397307   -3.16758029
 H                 -2.12450999    1.56927213   -2.55277171
 H                  0.43315223   -4.97180745    1.69769686
 C                  0.93532373   -4.27883586    1.02731638
 H                  2.46682572   -5.70960296    0.48939038
 C                  2.09408695   -4.69945161    0.34109313
 C                  0.43478571   -2.99195731    0.86132763
 C                  2.77161467   -3.84100482   -0.52049070
 H                 -0.45175869   -2.66274421    1.39951737
 C                  1.09048161   -2.09816346   -0.00454601
 H                  3.66587650   -4.16583950   -1.04748046
 C                  2.26396479   -2.54797702   -0.68371399
 C                  0.85246297   -0.72710031   -0.39675631
 N                  2.70807124   -1.49734895   -1.45583979
 C                  1.86197429   -0.40589932   -1.26988851
 H                  0.00247029    0.18897550    3.09735858
 H                  3.55208177   -1.49348564   -2.00645327
 H                  2.08095517    0.53443321   -1.75606872
 H                  0.18427681    3.25288492    2.64978880
 C                 -0.43665281    2.63675090    1.98026732
 C                  3.92864159    2.37192100    0.10661709
 C                  2.90399346    1.82447778    0.88286610
 H                  3.16853830    1.17275346    1.70755287
 H                 -1.27757622    2.26668790    2.57607861
 H                  4.96340848    2.14536139    0.35302975
 C                  3.63397415    3.19566994   -0.97930126
 C                  1.55257513    2.07999566    0.59819027
 C                  0.42099607    1.48987709    1.41025851
 C                  2.29473046    3.47199234   -1.27423686
 C                  1.27766534    2.92727344   -0.49402626
 H                  4.43077503    3.61768540   -1.58617171
 C                  0.87244117    0.59328594    2.56721718
 H                 -0.82877664    3.30617250    1.20908061
 H                  2.04245063    4.11163711   -2.11692014
 H                  1.46270811    1.16517148    3.30356089
 H                  0.24233007    3.13140879   -0.75633836
 H                  1.47113560   -0.25388367    2.22486831

16

 C                 -0.42695024   -1.68064771    0.00000000
 C                 -1.78637260   -1.39574704    0.00000000
 C                  0.49434260   -0.61888973    0.00000000
 C                 -2.25237074   -0.06397026    0.00000000
 C                  0.00000000    0.71634325    0.00000000
 C                 -1.36786669    1.00848573    0.00000000
 C                  1.92855012   -0.53306238    0.00000000
 C                  2.25309806    0.79775021    0.00000000
 N                  1.09564759    1.55590244    0.00000000
 H                 -0.07633621   -2.70956467    0.00000000
 H                 -2.50651153   -2.20952347    0.00000000
 H                 -3.32198975    0.12739639    0.00000000
 H                 -1.72576439    2.03494917    0.00000000
 H                  2.62728006   -1.35827252    0.00000000
 H                  3.22116795    1.27929235    0.00000000
 H                  1.05803763    2.56283321    0.00000000

19

 C                  0.46686898   -1.16142805    0.21476677
 C                  1.86064406   -1.22291712    0.21562249
 C                 -0.20747491    0.05561798    0.01338790
 C                  2.61649173   -0.07012800    0.00173412
 C                  0.57157896    1.20459059   -0.21780547
 C                  1.96295789    1.14485021   -0.21873489
 C                 -1.69385206    0.12296130    0.02950543
 C                 -2.45395114   -1.11785458   -0.38524701
 C                 -2.34927190    1.23066594    0.40913925
 H                 -0.09891685   -2.07146331    0.38815414
 H                  2.35539446   -2.17611583    0.38350042
 H                  3.70207797   -0.11823788   -0.00381469
 H                  0.07750542    2.14898190   -0.42579297
 H                  2.53916051    2.04743510   -0.40556840
 H                 -2.08759521   -1.50804615   -1.34250270
 H                 -3.52398720   -0.91136089   -0.47975628
 H                 -2.33910152   -1.92334315    0.35181101
 H                 -1.83371436    2.11793326    0.76430169
 H                 -3.43477281    1.27606730    0.39545615

35

 C                  2.72695709    1.21813085   -0.23609630
 C                  4.10358087    1.03068848   -0.25059626
 C                  0.43986097   -0.07118281    0.06972374
 C                  1.87620796    0.11735181   -0.01529617
 C                  4.66998894   -0.24354044   -0.04643338
 C                  0.24892371   -1.40559883    0.33649520
 C                  2.48021108   -1.15552716    0.19855385
 C                  3.86444866   -1.35222530    0.18197544
 N                  1.46318035   -2.05970939    0.41215045
 H                  2.32090868    2.21210953   -0.39136535
 H                  4.75692025    1.88196407   -0.42160692
 H                 -0.54142945    1.14480549   -2.23194861
 H                  5.75006973   -0.36031936   -0.06480626
 H                 -0.67377464   -1.94761246    0.47975356
 H                  4.29236930   -2.33803671    0.34594992
 H                  1.58363380   -3.04590889    0.57928026
 H                 -4.94780363    0.15870615    1.75752249
 H                 -2.73836603    1.21191838    1.82640880
 C                 -4.24099882   -0.03574111    0.95471139
 C                 -2.97826750    0.56453140    0.99075888
 H                 -1.20402100    2.79344684    1.10052230
 C                 -4.59321130   -0.87629689   -0.09873006
 H                 -5.57450152   -1.34249009   -0.12754730
 C                 -2.03887678    0.34306646   -0.02372449
 C                 -0.64406723    0.99751847   -0.03353862
 C                 -0.46320579    1.98633044    1.14176374
 C                 -0.50058541    1.79874537   -1.35666812
 H                  0.53104143    2.43903007    1.10025688
 C                 -3.66715907   -1.11330794   -1.11783723
 C                 -2.41179402   -0.51064687   -1.07769420
 H                 -1.31024191    2.53246223   -1.43945606
 H                  0.45085419    2.33559672   -1.39304436
 H                 -3.92297089   -1.76847756   -1.94686636
 H                 -1.69861017   -0.72031517   -1.86928651
 H                 -0.54842091    1.47731093    2.10697584


