5
(PtCl4)2-
 Cl                 0.00000000    2.38859600    0.00000000
 Cl                 2.38859600    0.00000000    0.00000000
 Cl                 0.00000000   -2.38859600    0.00000000
 Cl                -2.38859600    0.00000000    0.00000000
 Pt                 0.00000000    0.00000000    0.00000000

4
(PtCl3)-
 Cl                 0.00000000    2.34004700    0.40035100
 Cl                 0.00000000    0.00000000   -2.01411100
 Cl                 0.00000000   -2.34004700    0.40035100
 Pt                 0.00000000    0.00000000    0.26446100

2
HCl
 Cl                 0.00000000    0.00000000    0.07197100
 H                  0.00000000    0.00000000   -1.22350000

15
BuOH
 C                 -0.00238000    0.69441600   -0.22464200
 C                 -1.43259300    0.51272200    0.22627200
 C                  0.95320400   -0.33330800    0.35982400
 O                 -1.89580600   -0.72888600   -0.26471800
 C                  2.37587600   -0.14991300   -0.13347000
 H                 -2.05636300    1.35007000   -0.14693500
 H                 -1.47807400    0.54825600    1.33563700
 H                  0.32967600    1.71366000    0.04676300
 H                  0.02693000    0.64286400   -1.33028200
 H                  0.92285200   -0.26606600    1.46432400
 H                  0.58741600   -1.34451000    0.10912900
 H                 -2.78622900   -0.87053100    0.07880200
 H                  2.76134400    0.85110300    0.12650200
 H                  2.43001400   -0.24369300   -1.23168000
 H                  3.06423400   -0.89356600    0.29757500

29
Ligand a
 C                 -1.84029200    1.71248600    0.07595400
 C                 -2.98586900    2.49700400    0.07501400
 C                 -1.93030700    0.31302000    0.02701600
 C                 -4.25330000    1.91673700    0.02660900
 N                 -0.81090200   -0.49796600    0.03005900
 C                 -3.21628500   -0.25197100   -0.02188600
 C                 -4.36339500    0.53026000   -0.02198900
 N                  0.41945200    0.02902400    0.01860700
 Cl                -3.38101600   -2.00455600   -0.08632000
 C                  1.42386700   -0.78663000    0.03623100
 C                  2.77110000   -0.17481500    0.00679500
 C                  1.27842700   -2.27232000    0.08027200
 N                  3.81654100   -1.01331800    0.07227400
 C                  2.93603100    1.21642200   -0.09011800
 C                  5.04471600   -0.49156700    0.04526400
 C                  4.21862400    1.73952900   -0.11773600
 C                  5.30702100    0.87036000   -0.04861200
 H                 -0.84645600    2.16137900    0.11607500
 H                 -2.88416200    3.58424900    0.11409300
 H                 -5.15292500    2.53534500    0.02688300
 H                 -0.95272400   -1.50788300    0.01824400
 H                 -5.33860300    0.04032400   -0.06138800
 H                  0.73382700   -2.64228200   -0.80656200
 H                  0.70307000   -2.58531600    0.96941200
 H                  2.26119600   -2.75375800    0.11172200
 H                  2.05630500    1.85976000   -0.14389700
 H                  5.87384300   -1.20691100    0.10138400
 H                  4.37158400    2.81895200   -0.19388900
 H                  6.33465100    1.23832000   -0.06810100

33
a/3a-
 Pt                -0.43814600   -1.58679200   -0.19552000
 C                 -1.43758700    1.03223200    1.77017200
 Cl                 0.61254400   -2.14541600    1.83207400
 C                 -1.48917700    2.00704900    0.76038600
 C                 -2.60341200    0.44235200    2.24892600
 Cl                -0.13538300   -3.67913700   -1.04879800
 Cl                -1.51656600   -0.83075100   -2.13305800
 C                 -2.75705800    2.39151300    0.29441100
 N                 -0.33857900    2.57094100    0.23583300
 C                 -3.85070000    0.83155400    1.76544900
 C                  3.14925800    0.42565800    0.68965900
 C                 -3.92261600    1.81922100    0.78530100
 Cl                -2.87149400    3.60125000   -0.97924000
 N                  0.83333600    1.93717000    0.41393800
 C                  4.35540300   -0.23740800    0.85037300
 C                  3.14025800    1.66028600    0.01999800
 C                  1.87905100    2.41146700   -0.17935200
 C                  5.52004600    0.33724900    0.34268400
 N                  4.25738100    2.21400000   -0.47552600
 C                  1.86339700    3.64010200   -1.02714600
 C                  5.40942000    1.56000600   -0.30987000
 H                 -0.45954900    0.72563400    2.14740300
 H                  2.21940400   -0.00759200    1.06580100
 H                 -2.52599600   -0.33155300    3.01690300
 H                 -0.45427900    3.23294500   -0.53270800
 H                 -4.76641000    0.37273600    2.14346000
 H                 -4.88364000    2.14563300    0.38172700
 H                  4.38428300   -1.20186800    1.36472900
 H                  6.49109800   -0.15151800    0.44457700
 H                  1.43620100    4.49191200   -0.47057600
 H                  1.23715200    3.49227100   -1.92529400
 H                  2.87778900    3.89547700   -1.35126200
 H                  6.30191400    2.04217400   -0.72650200

33
3a-
 Pt                 1.31663000   -1.05815500    0.07884800
 C                  0.74321400    0.59103300   -1.29185400
 C                  2.05745300    0.26959900   -1.71876800
 C                  0.50086300    1.84107200   -0.62588400
 Cl                 1.35863500   -2.85643500    1.60216400
 Cl                 2.17676000    0.32573100    1.78653300
 Cl                 0.40560800   -2.49963200   -1.56654400
 C                  3.12654500    1.16663900   -1.48459500
 N                 -0.76576500    2.14923700   -0.20416500
 C                  1.57082600    2.70328100   -0.45156800
 C                  2.87009700    2.36991500   -0.86794500
 N                 -1.72961400    1.21736400   -0.27593000
 Cl                 1.31001600    4.23734100    0.36471300
 C                 -2.91515300    1.52476000    0.13519600
 C                 -3.29232200    2.86532600    0.67236500
 C                 -3.92830400    0.44761800    0.03962300
 C                 -3.57184900   -0.84593200   -0.37515600
 N                 -5.18752000    0.77332900    0.36668500
 C                 -4.55794200   -1.81604100   -0.45532500
 C                 -6.12337200   -0.17446800    0.28404000
 C                 -5.86919900   -1.48034400   -0.12042500
 H                 -0.12432800    0.10838200   -1.74710500
 H                  2.19426200   -0.56222600   -2.41334300
 H                  4.13467400    0.92140500   -1.82210000
 H                 -0.91342800    3.04057800    0.27172700
 H                  3.67063200    3.09182800   -0.69116500
 H                 -3.07930800    3.65761600   -0.06602900
 H                 -2.71650100    3.10405500    1.58383300
 H                 -4.35923400    2.89147900    0.91798000
 H                 -2.53217600   -1.07224200   -0.62194100
 H                 -4.30603700   -2.83078300   -0.77330600
 H                 -7.14152500    0.12649500    0.55827400
 H                 -6.67632100   -2.21386400   -0.16809000

33
3/4a-
 Pt                 0.01463500   -1.10952100    0.24519300
 C                 -1.79131100   -0.14398500   -1.57282800
 N                  0.25083400    1.48598400   -0.72512100
 C                 -2.02667300    1.04923600   -0.86883000
 C                 -2.78476100   -1.12611300   -1.65601500
 Cl                -0.79055400    0.11390300    2.08751900
 Cl                 0.80099700   -2.76346400    1.67241700
 Cl                 0.82098800   -2.29935800   -1.63115100
 N                 -1.01814600    1.98564700   -0.70513200
 C                  1.19680100    2.28102500   -0.33970600
 C                 -3.29693300    1.23512700   -0.30067900
 C                 -4.02156000   -0.93570100   -1.05616300
 C                  0.94549600    3.67192500    0.13427900
 C                  2.57975700    1.75206300   -0.35633400
 C                 -4.27910600    0.26154000   -0.38364300
 Cl                -3.63017300    2.71370300    0.58869700
 C                  2.90547900    0.59858700   -1.08122200
 N                  3.48824400    2.44204600    0.34912900
 C                  4.21129700    0.13321400   -1.04216600
 C                  4.73972800    1.98128100    0.37398200
 C                  5.15565700    0.83382300   -0.29519300
 H                 -0.86594400   -0.25584800   -2.13923000
 H                 -2.56853200   -2.04324400   -2.20959500
 H                 -1.21768500    2.69570200    0.00360900
 H                 -4.79671300   -1.70198800   -1.11405700
 H                  0.37682400    4.24143900   -0.61923700
 H                  0.33773800    3.65857000    1.05856900
 H                  1.88675600    4.18380100    0.35866800
 H                 -5.24445000    0.44053000    0.09486100
 H                  2.13818500    0.07422400   -1.65256600
 H                  4.48809200   -0.76842600   -1.59488800
 H                  5.45781100    2.56328800    0.96337000
 H                  6.19527000    0.50542400   -0.23676800

33
4a-
 Pt                -0.39970300   -1.03851800    0.11954800
 N                  0.02255400    0.83146200   -0.62540700
 Cl                -0.79230500   -3.20152900    0.96011400
 N                  1.36967300    1.04341100   -1.00671500
 C                 -0.77013700    1.84289300   -0.80475600
 Cl                -1.33511200   -0.09455600    2.07143500
 Cl                 0.58417000   -1.93042800   -1.85693900
 C                  2.29072800    1.10587000    0.04909800
 C                 -0.32292800    3.20193900   -1.19847100
 C                 -2.22983600    1.65997200   -0.60864900
 C                  1.94016700    1.56742000    1.32411900
 C                  3.63575300    0.77305700   -0.17464200
 C                 -2.90403600    0.58540500   -1.19196200
 N                 -2.83628800    2.61508000    0.10713400
 C                  2.89818800    1.68335000    2.32543100
 C                  4.59751300    0.89308800    0.82031300
 Cl                 4.12148400    0.19134700   -1.76177900
 C                 -4.27207800    0.47160600   -0.97042400
 C                 -4.14194300    2.47476300    0.33117900
 C                  4.22886100    1.35110200    2.08193100
 C                 -4.90223800    1.42076000   -0.17341800
 H                  1.59633500    0.28471400   -1.66232400
 H                  0.75855800    3.34155100   -1.10657600
 H                 -0.87434900    3.92547000   -0.57970000
 H                 -0.62342400    3.39184200   -2.24282100
 H                  0.89577900    1.81191500    1.53378100
 H                 -2.36742400   -0.13539400   -1.81250800
 H                  2.59350500    2.03758800    3.31305000
 H                  5.63125000    0.62113800    0.59575600
 H                 -4.83669800   -0.35135500   -1.41374300
 H                 -4.61642100    3.25176800    0.94076100
 H                  4.98126100    1.44357300    2.86779900
 H                 -5.97123000    1.36235000    0.04010800

33
4/1a-
 Pt                 0.87156300   -0.95245400   -0.09078800
 N                 -0.31455800    0.55500700    0.51838600
 Cl                 2.37518500   -2.56736300   -0.90433500
 C                  0.11054700    1.78587800    0.64869600
 N                 -1.62431700    0.28532800    0.89672500
 Cl                -0.97796200   -2.21039300   -0.95735000
 C                 -0.70504600    2.85501100    1.28084500
 C                  1.45454400    2.08943700    0.13204700
 C                 -2.65166600    0.64888200    0.00005300
 C                  2.04654000    3.34329200    0.29793200
 N                  2.08637500    1.09328800   -0.51756100
 C                 -2.45766300    1.44631600   -1.13177000
 C                 -3.95542900    0.20314800    0.26734500
 C                  3.32796300    3.55073200   -0.20268700
 C                  3.31445400    1.29072100   -0.98120000
 C                 -3.53079600    1.80101600   -1.94390200
 C                 -5.02811400    0.54848400   -0.54282300
 Cl                -4.23154300   -0.83971900    1.65158900
 C                  3.98116100    2.50828500   -0.84861200
 C                 -4.81905700    1.36227200   -1.65321600
 Cl                 2.31952500   -0.63602700    2.10418000
 H                 -1.68241500   -0.71079000    1.12335700
 H                 -0.08260700    3.43807900    1.97516600
 H                 -1.09779800    3.55650700    0.52581500
 H                 -1.54992400    2.42705100    1.83304700
 H                  1.52205900    4.14842200    0.81416100
 H                 -1.44916500    1.77544700   -1.39394000
 H                  3.81195800    4.52196800   -0.08135600
 H                  3.78446000    0.43562300   -1.47956100
 H                 -3.34763700    2.42518300   -2.82132700
 H                 -6.02328500    0.17454100   -0.29358000
 H                  4.98845300    2.63004700   -1.25039100
 H                 -5.66162200    1.64265500   -2.28841300

33
1a-
 Pt                -0.65992000   -0.85521500   -0.36518600
 N                 -2.31877200    0.14361900    0.28805500
 N                  0.12787200    0.98464100    0.08798400
 C                 -2.12294400    1.47760800    0.48671100
 C                 -3.54715500   -0.37260900    0.42852400
 Cl                 1.26089600   -1.84203000   -1.27781700
 Cl                -1.82429300   -2.84891000   -0.82902700
 N                  1.42705500    1.40826100   -0.01645000
 C                 -0.73916200    1.92357500    0.38569300
 C                 -3.18964100    2.31484900    0.80458900
 C                 -4.64218800    0.41138800    0.76616000
 C                  2.49139000    0.59081600    0.34865600
 C                 -0.31493800    3.31461300    0.66721800
 C                 -4.46284800    1.77702600    0.94713400
 C                  2.55496300   -0.11246100    1.56066000
 C                  3.62176400    0.56602200   -0.48138500
 Cl                 1.54236100    3.16509300   -2.55483700
 C                  3.65898000   -0.89502100    1.88240500
 Cl                 1.26122500    0.02026000    2.74605600
 C                  4.74035600   -0.18107100   -0.14692900
 C                  4.75392600   -0.93821500    1.02526500
 H                 -3.62940600   -1.44681700    0.24969600
 H                  1.57007300    2.02996000   -0.84949800
 H                 -3.02494400    3.38396100    0.93513000
 H                 -5.62109800   -0.05654300    0.87505000
 H                  0.58490200    3.28269400    1.30270500
 H                 -0.01508100    3.81856300   -0.26795900
 H                 -1.09591400    3.90133200    1.16316200
 H                 -5.30589200    2.42271700    1.19823800
 H                  3.57462000    1.13648500   -1.41445000
 H                  3.66041200   -1.44779900    2.82439700
 H                  5.60263000   -0.19012600   -0.81779200
 H                  5.62211400   -1.54743000    1.28615800

32
1a
 Pt                -0.93665900   -0.87588500   -0.04536800
 N                  0.23299800    0.63285000   -0.69569800
 N                 -2.24541800    0.69164500    0.00003600
 N                  1.58187500    0.48048200   -0.97870000
 C                 -0.29606500    1.82252800   -0.79418800
 Cl                -2.43242500   -2.48164800    0.78350800
 Cl                 0.75170700   -2.49047300   -0.24211600
 C                 -1.70495400    1.87778300   -0.40263000
 C                 -3.52739200    0.64849400    0.38113600
 C                  2.47151300    0.72106800    0.09598100
 C                  0.44669200    3.02601600   -1.23099000
 C                 -2.45848800    3.04458100   -0.41392300
 C                 -4.33159800    1.78279900    0.38262100
 C                  2.10554300    1.37654900    1.27421400
 C                  3.80262600    0.29706100   -0.03283200
 C                 -3.79143500    2.99743100   -0.01710000
 C                  3.04309800    1.60826800    2.27742500
 C                  4.73937300    0.52148200    0.96635500
 Cl                 4.28697300   -0.55368100   -1.48799300
 C                  4.36037600    1.18665300    2.12957300
 H                  1.70783500   -0.47754200   -1.32763000
 H                 -3.89574800   -0.33276700    0.69034900
 H                  1.37294800    2.73954300   -1.74301900
 H                  0.71024200    3.65102300   -0.36066600
 H                 -0.16865000    3.63889100   -1.90442600
 H                 -2.00458100    3.98546100   -0.72603100
 H                 -5.37136900    1.69841600    0.69937200
 H                  1.07105400    1.69546200    1.42212900
 H                 -4.39822500    3.90405700   -0.02057600
 H                  2.72858300    2.12049300    3.18928600
 H                  5.76317700    0.16971800    0.82265900
 H                  5.09586100    1.36582600    2.91612800

32
trans-1/5a
 Pt                 0.40920300   -0.69099300   -0.21187700
 C                 -1.71952500   -0.72682400   -1.11116100
 N                  2.31996100    0.07287700   -0.04109000
 C                 -2.12033000    0.56422900   -0.67201500
 C                 -2.56941100   -1.82771300   -0.90702800
 N                  0.07577900    1.24202100   -0.48463000
 Cl                 0.91032400   -2.97418200    0.00092000
 Cl                -0.77177000   -0.36699500    2.37098400
 C                  2.34794800    1.43811800   -0.12331400
 C                  3.44764400   -0.61052800    0.18911600
 N                 -1.20863900    1.61456600   -0.74876500
 C                 -3.38037200    0.71709500   -0.09866300
 C                 -3.80441300   -1.65849600   -0.30269500
 C                  1.06609700    2.08772400   -0.38517700
 C                  3.54838300    2.12646900    0.03551700
 C                  4.66977900    0.02786000    0.34804700
 C                 -4.21641500   -0.37983100    0.07866600
 Cl                -3.87714800    2.29194800    0.47283300
 C                  0.86890100    3.55028400   -0.52755400
 C                  4.71839100    1.41545500    0.27135100
 H                 -0.96258300   -0.80221900   -1.92242100
 H                 -2.24144500   -2.81152900   -1.24930800
 H                  3.33916400   -1.69615900    0.24624800
 H                 -1.50710600    2.51865000   -0.37702300
 H                 -4.46809300   -2.50851200   -0.13864900
 H                  3.56503600    3.21484400   -0.02361000
 H                  5.56480200   -0.56605700    0.53411900
 H                 -5.18948800   -0.22660400    0.55026000
 H                  0.20117300    3.76300700   -1.37714900
 H                  0.40921500    3.97744000    0.37990600
 H                  1.81421700    4.07622300   -0.70197100
 H                  5.66363500    1.94596600    0.39634200

32
cis-1/5a
 Pt                 0.54192300   -0.70377300    0.00327000
 C                 -1.95871300   -1.06937600    0.05418300
 N                  2.11979200    0.48683700   -0.46376400
 C                 -2.31669900    0.28300800    0.21227100
 C                 -2.71482800   -1.91328500   -0.75779600
 N                 -0.15979900    1.07401400    0.53794500
 Cl                 1.34997100   -2.71740900   -0.87443600
 Cl                 0.17459600   -1.84692300    2.63034100
 C                  1.96189700    1.77740600   -0.03576700
 C                  3.29029700    0.08359900   -0.97356700
 C                 -3.49117900    0.73394100   -0.39467700
 N                 -1.46747500    1.15807600    0.91847200
 C                 -3.87162600   -1.43998700   -1.36893300
 C                  0.63193600    2.10973900    0.47251100
 C                  3.01503300    2.67989600   -0.12869300
 C                  4.36557400    0.95312400   -1.10335800
 C                 -4.27090900   -0.12103000   -1.16837900
 Cl                -3.97290800    2.40698400   -0.20920900
 C                  0.18009200    3.47772900    0.82589900
 C                  4.22734800    2.26516800   -0.67046400
 H                 -1.23081600   -1.52645500    0.77080100
 H                 -2.40720700   -2.95468100   -0.87389600
 H                  3.33883200   -0.96276200   -1.28222000
 H                 -1.81884100    2.11042200    1.03406800
 H                 -4.48050200   -2.09840300   -1.99101500
 H                  2.89224600    3.70183400    0.23030800
 H                  5.29586100    0.58921900   -1.53997000
 H                 -5.18113500    0.26675600   -1.63020300
 H                 -0.07694300    3.54164300    1.89552000
 H                 -0.71816600    3.74832000    0.24452000
 H                  0.94354600    4.23330600    0.61471600
 H                  5.05798600    2.96791900   -0.74948200

32
trans-5a
 Pt                 0.42891600   -0.73034600   -0.32255400
 C                 -1.73296900   -0.92267700   -0.71118000
 N                  2.28341100    0.13567000   -0.07119600
 C                 -2.19547600    0.41262400   -0.54016500
 C                 -2.54934600   -2.00210400   -0.34028100
 N                 -0.01778000    1.18288400   -0.54232100
 Cl                 1.05161100   -2.97883700   -0.07826500
 Cl                -0.22732100   -0.00071200    2.63065100
 C                  2.23813700    1.50025300   -0.15616300
 C                  3.44048100   -0.48742700    0.16535100
 N                 -1.32503200    1.46825600   -0.76824800
 C                 -3.49299000    0.61241400   -0.06891200
 C                 -3.82149100   -1.77746100    0.16185800
 C                  0.91604400    2.08175000   -0.40532900
 C                  3.39917800    2.24898600   -0.00222500
 C                  4.62917000    0.21413400    0.33065400
 C                 -4.29602100   -0.46962400    0.27451200
 Cl                -4.08678700    2.24117400    0.14403300
 C                  0.62157800    3.53365900   -0.46817800
 C                  4.60544000    1.59912800    0.24351200
 H                 -1.00171800   -1.13280700   -1.56613900
 H                 -2.16581100   -3.01567600   -0.47440400
 H                  3.38951600   -1.57711300    0.22366900
 H                 -1.64569200    2.41772600   -0.57316400
 H                 -4.46225700   -2.61123900    0.45146500
 H                  3.36410000    3.33594000   -0.07294300
 H                  5.55191900   -0.33175200    0.52768500
 H                 -5.29979900   -0.27420700    0.65722400
 H                  0.06333600    3.77733600   -1.38651000
 H                  0.00664700    3.83870000    0.39585900
 H                  1.53143700    4.14302700   -0.45853900
 H                  5.52069100    2.17985300    0.36751700

32
cis-5a
 Pt                -0.44759900   -0.64028300   -0.18046600
 C                  1.68337000   -0.79628600   -0.01950200
 N                 -2.34263600    0.17972700   -0.29015700
 C                  2.14777000    0.55466600    0.00028300
 C                  2.52873600   -1.79908300   -0.52963600
 N                 -0.04408000    1.26343700    0.20433800
 Cl                -0.98850700   -2.86084300   -0.67822000
 C                 -2.33712900    1.51583100   -0.00623300
 C                 -3.49445300   -0.45194800   -0.52652100
 C                  3.44738700    0.83740200   -0.41886200
 N                  1.26731300    1.54422200    0.40349200
 C                  3.80664300   -1.49517300   -0.97123700
 Cl                 0.82997100   -1.40353800    2.99577200
 C                 -1.02260400    2.12387400    0.24463100
 C                 -3.52636500    2.23229000    0.03674300
 C                 -4.71424300    0.21661100   -0.50516900
 C                  4.26822600   -0.17910400   -0.89602400
 Cl                 4.03167800    2.48502900   -0.38039800
 C                 -0.87739900    3.57416300    0.51514700
 C                 -4.72758400    1.57408300   -0.21867900
 H                  1.13332700   -1.11892100    0.98436900
 H                  2.16642000   -2.83001400   -0.53188000
 H                 -3.41337800   -1.52051500   -0.74081700
 H                  1.56288100    2.51967000    0.41914900
 H                  4.46552600   -2.27477000   -1.35658200
 H                 -3.51906600    3.29632700    0.27438000
 H                 -5.63198700   -0.33341800   -0.71380400
 H                  5.27748800    0.07590900   -1.22609100
 H                 -1.29870000    4.16413800   -0.31322900
 H                 -1.42760600    3.84437400    1.43050000
 H                  0.16382300    3.88542000    0.65584600
 H                 -5.66774000    2.12717300   -0.19050300

31
5a+
 Pt                -0.41467100   -0.73109200    0.14635600
 N                  0.04455200    1.19629700    0.31323700
 N                 -2.26017100    0.12141000   -0.15577600
 C                 -0.89723700    2.08357700    0.15866700
 N                  1.35407500    1.46242900    0.54683200
 Cl                -1.01477100   -2.96887100   -0.11938300
 C                 -3.42255800   -0.50724600   -0.34756700
 C                 -2.22039100    1.48420000   -0.06214200
 C                 -0.70799000    3.55232500    0.19340700
 C                  2.22098100    0.41387500    0.29248000
 C                 -4.61921300    0.19263000   -0.46405200
 C                 -3.38540200    2.23119200   -0.16504200
 C                  1.75330600   -0.92615000    0.42857200
 C                  3.52699700    0.62226100   -0.15503000
 C                 -4.59865700    1.57624400   -0.36914800
 C                  2.57636000   -2.00128200    0.04891600
 C                  4.33249800   -0.45600100   -0.50383400
 C                  3.85598600   -1.76666200   -0.42529200
 H                  1.68306200    2.42247300    0.44269300
 H                 -3.37119300   -1.59641200   -0.41106900
 H                  0.34293400    3.85389100    0.26804400
 H                 -1.24195100    3.98342200    1.05521600
 H                 -1.12340400    4.00871800   -0.71787900
 H                 -5.54655300   -0.35589900   -0.62866500
 H                 -3.34935100    3.31745400   -0.07882600
 H                  1.06707300   -1.15544000    1.31338800
 H                 -5.52109200    2.15284700   -0.45139000
 H                  2.19593000   -3.01776900    0.16845800
 H                  5.34398700   -0.25566900   -0.86309000
 H                  4.50373200   -2.59475300   -0.71499400
 Cl                 4.12676300    2.25167100   -0.32222200

32
5/2a
 Pt                -0.45630500   -0.63667200   -0.17637100
 N                 -0.07940700    1.27489400    0.18810400
 C                  1.64904000   -0.75936000   -0.08347700
 N                  1.23126900    1.57504800    0.35840100
 C                 -1.06918700    2.12218000    0.23966500
 N                 -2.37979600    0.15496000   -0.23530800
 Cl                -0.96509800   -2.86934900   -0.65632300
 C                  2.11904700    0.59081500   -0.04063000
 C                  2.51083200   -1.75406400   -0.58466900
 C                 -0.93650100    3.57810100    0.48747700
 C                 -2.38225900    1.49544000    0.02476100
 C                 -3.52979300   -0.49067600   -0.43766600
 C                  3.43019000    0.87723800   -0.41807000
 C                  3.80315500   -1.44864600   -0.98187800
 C                 -3.57727000    2.20227300    0.07690600
 C                 -4.75614900    0.16610700   -0.40548600
 C                  4.26521600   -0.13455300   -0.88003300
 Cl                 4.01510900    2.52492000   -0.34101800
 C                 -4.77671700    1.52868100   -0.14483400
 Cl                 1.08234200   -1.48307200    2.85579000
 H                  1.51546000    2.55351500    0.37878500
 H                  2.14841100   -2.78514300   -0.60775900
 H                 -1.48125400    3.85832400    1.40297100
 H                 -1.37020000    4.15106100   -0.34674400
 H                  0.10277700    3.90190900    0.61368600
 H                 -3.44273600   -1.56232400   -0.63485200
 H                  4.47241500   -2.22643200   -1.35329600
 H                 -3.57646600    3.27089500    0.29325200
 H                 -5.67259300   -0.39559500   -0.58690600
 H                  5.28551400    0.12157600   -1.17332700
 H                 -5.72126800    2.07400800   -0.11097500
 H                  1.17965200   -1.10936100    0.99772500

30
2a
 Pt                -0.36795400   -0.73989200   -0.02548800
 N                 -0.00860900    1.19694900   -0.03359200
 C                  1.62374900   -0.85734900   -0.00574900
 N                  1.29554800    1.53282400   -0.09918900
 C                 -0.98601600    2.06574600   -0.01241400
 N                 -2.36983400    0.09624200   -0.00443000
 Cl                -0.86994300   -3.03382800   -0.00395700
 C                  2.18207600    0.44920700   -0.01984900
 C                  2.50801200   -1.93370800    0.04187700
 C                 -0.71182100    3.52508400   -0.03590500
 C                 -2.32487800    1.46002700    0.01687200
 C                 -3.54746600   -0.52787500    0.01475700
 C                  3.56115900    0.63307900    0.02112300
 C                  3.89353000   -1.74017300    0.08115900
 C                 -3.50046300    2.20557400    0.06203100
 C                 -4.75742900    0.15874300    0.05650300
 C                  4.42729800   -0.45654300    0.07387200
 Cl                 4.21555600    2.26762700    0.00986900
 C                 -4.72680400    1.54640500    0.08168500
 H                  1.58174700    2.47175400    0.17324000
 H                  2.10204200   -2.94942600    0.05392600
 H                 -1.62345700    4.12234700   -0.14269200
 H                 -0.20744200    3.84948000    0.89074300
 H                 -0.04631600    3.77390200   -0.87959900
 H                 -3.50346200   -1.62083100   -0.00235300
 H                  4.56633200   -2.60075300    0.11967800
 H                 -3.46492800    3.29485500    0.08471800
 H                 -5.69722700   -0.39389500    0.07089700
 H                  5.50500400   -0.28544800    0.10664100
 H                 -5.65268400    2.12362200    0.11702400

7
AcO-
 C                  0.21956800    0.00221500    0.00000000
 C                 -1.34303300   -0.06498600    0.00000000
 O                  0.68040700    1.16491300    0.00000200
 O                  0.81219900   -1.09756400   -0.00000200
 H                 -1.73878300    0.46995500    0.88340800
 H                 -1.72249100   -1.10208800   -0.00000800
 H                 -1.73878400    0.46996900   -0.88339900

39
5ac-
 Pt                -0.65753400   -0.95753500   -0.39074400
 N                 -2.30181200   -0.31574600    0.63076600
 N                  0.14026800    0.52661200    0.76544100
 C                 -2.09753100    0.81834800    1.35043700
 C                 -3.52469200   -0.86466100    0.59618500
 Cl                 1.29801800   -1.47831600   -1.58810000
 Cl                -1.82198700   -2.59210000   -1.64470500
 N                  1.43307000    1.00164400    0.65879800
 C                 -0.71884700    1.31426900    1.35738500
 C                 -3.13471600    1.42389600    2.04909400
 C                 -4.59813100   -0.30948300    1.27902000
 C                  2.45786900    0.13002000    0.96713700
 C                 -0.36323100    2.51526300    2.15048600
 C                 -4.40205900    0.85331400    2.01403500
 C                  3.75019500    0.31818200    0.44921500
 C                  2.27719100   -0.93569400    1.86457200
 O                  0.71780800    2.57406100   -1.41302600
 C                  4.80357400   -0.52529800    0.77301600
 Cl                 4.03375600    1.63847900   -0.67632200
 C                  3.32641000   -1.78743200    2.18601900
 C                 -0.48430400    2.95830900   -1.45496300
 C                  4.59512400   -1.59344100    1.64257100
 C                 -0.88540700    3.71302800   -2.71923700
 O                 -1.37430100    2.77967000   -0.58558500
 H                 -3.61707800   -1.76857300   -0.00960700
 H                  1.45470200    1.63167400   -0.18328700
 H                 -2.95171300    2.33775500    2.61475100
 H                 -5.57403400   -0.79303600    1.22497600
 H                 -0.99281800    3.35785100    1.83569900
 H                  0.68817900    2.77962500    2.00425700
 H                 -0.54385200    2.32176700    3.22135400
 H                 -5.22772700    1.31599900    2.55745000
 H                  1.28377700   -1.09276900    2.29276000
 H                  5.78457000   -0.34141900    0.32885600
 H                  3.14819500   -2.61439500    2.87812900
 H                  5.42155300   -2.26141300    1.89415500
 H                 -0.88955600    3.01295100   -3.57083400
 H                 -0.13807600    4.48768500   -2.95071800
 H                 -1.88223500    4.16782400   -2.63073300

39
5/6ac-
 Pt                 1.17295600    0.51469300    0.21793000
 N                  2.19261600   -1.17979100   -0.24155200
 N                 -0.28245600   -0.61790500   -0.57147600
 C                  1.43478600   -2.15740000   -0.82582000
 C                  3.49255100   -1.42911600    0.00516600
 O                  0.68565800    2.60094100   -0.76663500
 Cl                 3.07312400    1.61929100    1.11910700
 Cl                -0.36456200    1.49857600    2.10536700
 N                 -1.59000800   -0.22275700   -0.65466800
 C                  0.04407600   -1.80625900   -1.02967500
 C                  1.98393100   -3.39320700   -1.16736100
 C                  4.08756400   -2.63685300   -0.32116300
 C                 -0.43054900    3.03733500   -1.18002100
 C                 -2.52535800   -0.82988500    0.19056700
 C                 -0.92352200   -2.71086800   -1.69455200
 C                  3.32510800   -3.63943700   -0.91679000
 C                 -0.44800800    4.51228000   -1.54265400
 O                 -1.49552100    2.39304400   -1.30370900
 C                 -3.89300200   -0.58570800   -0.01676000
 C                 -2.17910300   -1.70299200    1.23181000
 C                 -4.87123600   -1.16070500    0.78536100
 Cl                -4.38586900    0.45490100   -1.33950000
 C                 -3.15431900   -2.29222600    2.02771000
 C                 -4.50468800   -2.02341600    1.81381900
 H                  4.04338000   -0.61341100    0.47842200
 H                 -1.63585400    0.82489600   -0.80157100
 H                  1.35136900   -4.15889200   -1.61788000
 H                  5.14687500   -2.78087000   -0.10435900
 H                 -1.73702000   -2.11990600   -2.13869600
 H                 -1.37754300   -3.41331800   -0.97420500
 H                 -0.43102600   -3.30213000   -2.47824800
 H                  3.76953300   -4.60116300   -1.17733600
 H                 -0.45457400    5.10675300   -0.61443500
 H                 -1.34102300    4.76852700   -2.12939100
 H                  0.46203800    4.78830300   -2.09543600
 H                 -1.12225900   -1.89996500    1.43081700
 H                 -5.92065000   -0.93544300    0.58331200
 H                 -2.84858700   -2.96213300    2.83483200
 H                 -5.27254100   -2.48235200    2.43990600

38
6ac
 Pt                 0.90442800    0.79571000    0.09863900
 N                  0.00696000   -0.86247400   -0.62790600
 N                  2.47735500   -0.48067200   -0.03654200
 N                 -1.35417500   -0.94971500   -0.91399900
 C                  0.74157000   -1.92563900   -0.80526500
 O                 -0.75044200    1.97258200    0.29415300
 Cl                 2.11849400    2.60943300    0.97693800
 C                  2.15445700   -1.73066400   -0.47487200
 C                  3.74892700   -0.20531800    0.27872800
 C                 -2.18943500   -1.19079900    0.19247500
 C                  0.23007700   -3.23064200   -1.28080300
 C                 -1.52272500    2.23261900   -0.71553100
 C                  3.11521200   -2.72612600   -0.59173200
 C                  4.75523300   -1.15931100    0.17385800
 C                 -1.72035000   -1.71347300    1.40336100
 C                 -3.56783300   -0.94736400    0.07909400
 O                 -1.42252500    1.72785200   -1.83862800
 C                 -2.59770400    3.23695500   -0.39293800
 C                  4.43661500   -2.43714800   -0.26324200
 C                 -2.59579400   -1.98042000    2.45169800
 C                 -4.44388000   -1.21149200    1.12322800
 Cl                -4.20600200   -0.30000200   -1.42271600
 C                 -3.95888300   -1.73289600    2.31973200
 H                 -1.60082400   -0.08683000   -1.42821600
 H                  3.93930200    0.81305900    0.62454500
 H                 -0.79191100   -3.13092100   -1.66200500
 H                  0.23230600   -3.95915900   -0.45247200
 H                  0.88021600   -3.63304300   -2.07140300
 H                  2.83155100   -3.72155800   -0.93472500
 H                  5.77698200   -0.88670700    0.43963300
 H                 -0.65104700   -1.89935700    1.53019800
 H                 -2.13761700    4.22464800   -0.23454400
 H                 -3.10601900    2.96672300    0.54426300
 H                 -3.32315500    3.30230900   -1.21337900
 H                  5.20539800   -3.20609700   -0.35110400
 H                 -2.19796000   -2.38448200    3.38545000
 H                 -5.50749400   -1.00587600    0.98572400
 H                 -4.64761000   -1.94154800    3.14059000

38
6/7ac
 Pt                 1.22027500   -0.64369000   -0.20152200
 N                  2.26662900    1.03124300    0.12686300
 N                 -0.29231800    0.63163100    0.18824700
 C                  1.48804700    2.11425600    0.43687700
 C                  3.60130800    1.15985800    0.02378600
 O                  0.01875000   -2.32594400   -0.59856800
 Cl                 3.06544100   -2.06631000   -0.64553700
 N                 -1.49214100    0.10906500    0.18794800
 C                  0.07114900    1.87307400    0.52805600
 C                  2.09203300    3.36134500    0.64711100
 C                  4.23984400    2.36826900    0.23362600
 C                 -0.71176000   -2.89823300    0.22222600
 C                 -2.58199300    0.82860000   -0.25988100
 C                 -0.87462400    2.85832500    1.10970300
 C                  3.46657400    3.48700100    0.54799600
 C                 -1.50311900   -4.09512800   -0.14404300
 O                 -0.85579600   -2.51464200    1.46435100
 C                 -3.86879300    0.41287200    0.14832600
 C                 -2.53734400    1.84923600   -1.23542200
 C                 -5.03140200    0.97757900   -0.35482200
 Cl                -3.99915200   -0.87301600    1.34051700
 C                 -3.69868100    2.41033800   -1.75126200
 C                 -4.95304500    1.98867700   -1.31147900
 H                  4.14145100    0.24477100   -0.22802700
 H                 -0.44749000   -1.62869800    1.56689900
 H                  1.46823000    4.22700900    0.87309600
 H                  5.32503000    2.42489200    0.14985800
 H                 -1.64651300    2.32975400    1.69218200
 H                 -1.40831400    3.46137100    0.35426300
 H                 -0.34680500    3.54302300    1.78830800
 H                  3.93848500    4.45836100    0.70960900
 H                 -1.38660600   -4.86880500    0.62699400
 H                 -2.56670900   -3.81032000   -0.16310700
 H                 -1.20126500   -4.47236400   -1.12604700
 H                 -1.56302700    2.16962400   -1.61581300
 H                 -5.99724500    0.61857900    0.00866100
 H                 -3.61932100    3.18885500   -2.51463400
 H                 -5.86625400    2.43496600   -1.71069500

38
7ac
 Pt                 1.25303800   -0.65301700   -0.22510600
 N                  2.24273500    1.05105900    0.13026000
 N                 -0.31076100    0.56222100    0.18065600
 C                  1.42490700    2.09465000    0.47415800
 C                  3.57151400    1.23089500    0.02494300
 O                  0.04338100   -2.32207700   -0.60284200
 Cl                 3.13409200   -2.01451100   -0.69923700
 C                  0.01774700    1.80418300    0.55895000
 N                 -1.49917000    0.02218200    0.13597400
 C                  1.98545300    3.35704900    0.71613700
 C                  4.16688900    2.45521100    0.26524900
 C                 -0.67462800   -2.81868300    0.27871800
 C                 -0.96008700    2.74793600    1.15781300
 C                 -2.58915100    0.75411000   -0.29712600
 C                  3.35368400    3.53533300    0.61423200
 C                 -1.77773600   -3.74415500   -0.05391000
 O                 -0.53758900   -2.55977700    1.55417500
 C                 -3.87756100    0.36671500    0.12950300
 C                 -2.53692000    1.77011300   -1.27664500
 C                 -5.03616700    0.94656400   -0.36734600
 Cl                -4.02264200   -0.88744200    1.35482300
 C                 -3.69280200    2.34887500   -1.78423800
 C                 -4.95008300    1.94860900   -1.33200800
 H                  4.14338100    0.34311600   -0.25380000
 H                  1.33289900    4.19398300    0.96731100
 H                  5.24877000    2.55418800    0.17849800
 H                 -1.72650400    2.18395000    1.71342100
 H                 -1.49650900    3.36536600    0.41594100
 H                 -0.45764900    3.42081300    1.86696900
 H                  3.79070600    4.51860800    0.80002800
 H                 -1.89640700   -4.51273000    0.71946600
 H                 -2.69729600   -3.13358700   -0.07186700
 H                 -1.62422100   -4.18773600   -1.04327400
 H                  0.15586300   -1.87019700    1.66000200
 H                 -1.55974300    2.07423800   -1.66352900
 H                 -6.00413500    0.60949400    0.01100000
 H                 -3.60763700    3.12372800   -2.55068100
 H                 -5.85946900    2.40743600   -1.72563600

38
7/8ac
 Pt                 0.72746700   -0.79909100   -0.09150300
 C                 -1.86908000   -0.43659300   -2.10603800
 N                  2.40297600    0.19438900   -0.39100100
 C                 -2.19215300    0.42505200   -1.03453100
 C                 -2.80857900   -1.30058100   -2.65678700
 N                 -0.02975900    1.02195500   -0.56361000
 O                 -1.17528400   -0.82740800    1.98931500
 Cl                 1.60447400   -2.89285400    0.58732100
 C                  2.23433300    1.54487400   -0.55671800
 C                  3.63552000   -0.34627500   -0.34541000
 N                 -1.31294400    1.33830900   -0.47442300
 C                 -3.53373300    0.39640300   -0.59856600
 C                 -4.11865600   -1.31983500   -2.18314500
 C                  0.87023300    1.99525400   -0.63007400
 C                 -1.07334900    0.12151800    2.75080000
 C                  3.36179400    2.36773600   -0.66353500
 C                  4.77110500    0.43282100   -0.46656800
 C                 -4.47987500   -0.45387500   -1.15254700
 Cl                -4.03745900    1.46440700    0.70385800
 C                  0.44889700    3.40988300   -0.76982300
 C                 -0.86781800   -0.00279600    4.22506300
 O                 -1.13004700    1.38897600    2.35959100
 C                  4.62860700    1.81243500   -0.62224900
 H                 -0.86033800   -0.39201000   -2.52720000
 H                 -2.51397400   -1.95370000   -3.48223100
 H                  3.67596300   -1.42706400   -0.20458600
 H                 -1.33882300    1.41640000    1.38757100
 H                 -4.86222100   -1.99194900   -2.61643500
 H                  3.22992100    3.44423100   -0.77333900
 H                  5.75055700   -0.04428200   -0.43567200
 H                 -5.50080700   -0.43519000   -0.76483200
 H                 -0.37459100    3.48033600   -1.49627700
 H                  0.05081400    3.79379200    0.18592200
 H                  1.27151300    4.06200100   -1.08837900
 H                 -1.67812600    0.51564000    4.75831100
 H                  0.07151100    0.49708300    4.50514400
 H                 -0.83363700   -1.05696900    4.52013700
 H                  5.50780400    2.45316800   -0.70823300

38
8ac
 Pt                -0.46444300   -0.68897800   -0.67971400
 N                 -2.20394700   -0.36666400    0.17197600
 N                  0.12468800    0.42367600    0.91325500
 C                 -2.17208400    0.50708400    1.22849600
 C                 -3.36772700   -0.88376700   -0.26813100
 O                  0.41959800    2.59573700   -1.55757000
 Cl                -1.08358100   -1.80647000   -2.66832600
 C                 -0.86825300    0.94859100    1.62769400
 N                  1.34928200    0.86379400    1.10244400
 C                 -3.37908500    0.88078300    1.83685800
 C                 -4.57167900   -0.55872100    0.32509600
 C                  0.83902800    3.57072600   -0.96722400
 C                 -0.58224400    1.87954600    2.74707300
 C                  2.38869900    0.02302100    0.68463600
 C                 -4.57305000    0.34652500    1.38943100
 C                  0.81280500    4.96666000   -1.50457400
 O                  1.38330300    3.51341300    0.24889100
 C                  2.53280200   -1.32307400    1.07910800
 C                  3.42210900    0.57202400   -0.09333700
 C                  3.62418600   -2.08954700    0.68236100
 Cl                 1.37593800   -2.05073100    2.18882400
 C                  4.51885300   -0.18373800   -0.48554200
 C                  4.61798400   -1.52316300   -0.11024600
 H                 -3.29321300   -1.56916200   -1.11313100
 H                  1.37005000    2.56122500    0.55892200
 H                 -3.36284700    1.59539000    2.66005000
 H                 -5.49073600   -1.00981600   -0.04866900
 H                  0.23474600    1.47096100    3.36416300
 H                 -0.23316200    2.85893900    2.37684200
 H                 -1.46021700    2.04568200    3.38360400
 H                 -5.51091500    0.63314600    1.86887300
 H                  1.82911700    5.38706200   -1.50145700
 H                  0.19987700    5.60372800   -0.84944200
 H                  0.40360400    4.97560400   -2.52108100
 H                  3.33375300    1.62185500   -0.38716800
 H                  3.69478200   -3.12682500    1.01722800
 H                  5.29943100    0.27524200   -1.09678100
 H                  5.47477000   -2.12688700   -0.41721300

38
8/9ac
 Pt                -1.19649900   -0.86549400   -0.07965000
 C                  1.58630700   -1.29314900   -1.04125400
 C                  2.21014300   -2.47243200   -1.44734600
 C                  1.92121700   -0.66756100    0.17923200
 N                 -2.49358800    0.60631500    0.07297800
 N                  0.06516000    0.64683300    0.40996400
 Cl                -2.66724500   -2.66850700   -0.50787500
 O                  2.12174600    2.11599500   -1.96577200
 C                  3.22357700   -3.03157000   -0.67640000
 C                  2.98048000   -1.23716900    0.91406100
 N                  1.34632800    0.51440400    0.63315100
 C                 -1.94697500    1.80397000    0.46280600
 C                 -3.81120900    0.49270100   -0.19379000
 C                 -0.53543900    1.80912100    0.68467700
 C                  3.12878600    2.48349000   -1.39499500
 C                  3.61955000   -2.39740400    0.50213600
 Cl                 3.48925700   -0.47380600    2.40737700
 C                 -2.79320100    2.91721700    0.59966300
 C                 -4.66777700    1.56612900   -0.06565300
 C                  0.23755700    2.95894800    1.21839700
 C                  4.26182800    3.21397100   -2.04473800
 O                  3.34967200    2.28075900   -0.09522000
 C                 -4.14416000    2.79756800    0.34209100
 H                  0.88994800   -0.78468600   -1.71727700
 H                  1.92108900   -2.93165200   -2.39551600
 H                  3.72670000   -3.94700600   -0.99410100
 H                  2.58116300    1.75392000    0.26307600
 H                 -4.15018600   -0.49750400   -0.50062300
 H                  4.42418600   -2.80675700    1.11667500
 H                 -2.36658700    3.87429500    0.90083800
 H                 -5.72824000    1.43294400   -0.27847100
 H                  0.87783700    2.62561800    2.05216300
 H                  0.90688000    3.39446800    0.45820300
 H                 -0.42023800    3.75631900    1.58659300
 H                  5.17966700    2.61153600   -1.97053600
 H                  4.45406700    4.15679600   -1.51179200
 H                  4.03352000    3.41480900   -3.09757500
 H                 -4.79784300    3.66484400    0.45147600

38
9ac
 Pt                -0.73831400   -0.93560900   -0.09729800
 C                  1.31283600   -1.29396600   -0.40402200
 N                  0.02454900    0.71910900    0.65390900
 C                  1.93777900   -2.58294000   -0.55451000
 C                  1.97551000   -0.29564700    0.45144600
 Cl                -1.70545400   -2.90675900   -0.97320700
 C                 -0.79198200    1.65677900    1.07588500
 N                  1.36751700    0.83938100    0.81550900
 C                  3.15621700   -2.85002100    0.00243800
 C                  3.30448500   -0.57442300    0.87267100
 C                 -0.29413400    2.89104500    1.73365000
 C                 -2.20663000    1.37451600    0.83312200
 C                  3.85596100   -1.81711500    0.68282200
 Cl                 4.19774000    0.65852500    1.73564400
 C                 -3.22622500    2.29714900    1.05962100
 N                 -2.49721600    0.13472000    0.33633000
 O                  2.06691200    3.00323800   -0.83808800
 C                 -4.54352300    1.94061500    0.79046200
 C                 -3.76117800   -0.19870200    0.06664000
 C                  1.67536700    2.58486700   -2.04368400
 C                 -4.82056100    0.67338500    0.29142800
 C                  1.80647700    3.66040400   -3.07407600
 O                  1.26788200    1.46174500   -2.26403000
 H                  1.11390400   -0.80931400   -1.39532000
 H                  1.42327700   -3.33284800   -1.16180500
 H                  1.95368900    2.25522600   -0.19466700
 H                  3.62932600   -3.82747900   -0.10712600
 H                  0.55136500    2.64213700    2.39076100
 H                  0.08517500    3.60837300    0.98588900
 H                 -1.07450000    3.38506600    2.32542600
 H                  4.85630100   -2.00984800    1.07913600
 H                 -2.98791300    3.29502300    1.42941500
 H                 -5.34839600    2.65624600    0.96762500
 H                 -3.90644000   -1.20625400   -0.33381900
 H                 -5.84068800    0.35367400    0.07718500
 H                  2.85485200    3.98865900   -3.13330600
 H                  1.21209600    4.53708100   -2.77701300
 H                  1.47285300    3.29372000   -4.05124000

38
9/2ac
 Pt                -0.63118300   -0.83075800    0.17542300
 C                  1.40073100   -1.04250900    0.21844900
 N                 -2.54523300    0.09085200    0.27907000
 C                  1.95929400    0.21356200    0.67697500
 C                  2.20767700   -2.20429300    0.25841700
 N                 -0.11086700    1.02748700    0.55649300
 Cl                -1.28441500   -3.04903700   -0.31207600
 C                 -2.41438600    1.43756700    0.46945500
 C                 -3.75357600   -0.44468300    0.10326600
 C                  3.32897800    0.24221800    1.00924100
 N                  1.20603100    1.35732000    0.65678400
 C                  3.53422900   -2.14706800    0.64442400
 O                  1.39124500   -0.22244200   -2.31377500
 C                 -1.05142200    1.93894900    0.65626000
 C                 -3.54115000    2.25814500    0.46855700
 C                 -4.91571400    0.31993500    0.11169800
 C                  4.09363600   -0.91142500    1.00484500
 Cl                 4.08010800    1.76182400    1.46506100
 C                  1.49702500    0.95902200   -2.69313400
 C                 -0.72040900    3.36124000    0.92260100
 C                 -4.80051500    1.69267800    0.29271500
 O                  1.55655300    2.00277300   -1.92246600
 C                  1.56024600    1.27501000   -4.14378100
 H                  1.30369900   -0.65367800   -1.07341200
 H                  1.76395900   -3.15197900   -0.06202800
 H                 -3.77177200   -1.52815700   -0.04551100
 H                  1.50247200    1.81017400   -0.92248600
 H                  4.15894900   -3.04266300    0.65132300
 H                 -3.43357400    3.33579400    0.59576400
 H                 -5.88468100   -0.16173900   -0.02296900
 H                  5.14673000   -0.84310700    1.28747000
 H                  0.15194500    3.41467500    1.58892600
 H                 -0.44135400    3.88168600   -0.01062600
 H                 -1.55908600    3.90284100    1.37846100
 H                 -5.68784200    2.32871900    0.29578000
 H                  1.55946700    0.35773100   -4.74104200
 H                  0.69495300    1.89999000   -4.41006400
 H                  2.46188100    1.86910400   -4.34975700

8
HOAc
 C                 -0.09164600    0.12137800    0.00004400
 C                  1.38497700   -0.09857300    0.00004800
 O                 -0.76125600   -1.04353700   -0.00002900
 O                 -0.65217300    1.19271100   -0.00004900
 H                  1.67317900   -0.68623400    0.88416500
 H                  1.67318100   -0.68631900   -0.88401200
 H                  1.91003700    0.86278100    0.00000400
 H                 -1.70894800   -0.82044600   -0.00008600

29
Ligand b
 C                  2.46858800   -1.12264000    0.00043600
 C                  4.82263500    0.37244800   -0.00014200
 C                  4.89048100   -1.01894300    0.00059800
 N                  1.18932400    0.95220600   -0.00085900
 C                  3.70637400   -1.75425100    0.00087400
 C                 -1.07174100    0.96733100    0.00004400
 C                 -2.32269000    0.17991900    0.00006200
 C                 -1.13371000    2.46071000    0.00028200
 N                 -3.47236800    0.86981800    0.00090900
 C                 -4.61689300    0.18512900    0.00086400
 C                 -4.69033300   -1.20250200   -0.00000800
 C                 -3.49264900   -1.91722600   -0.00087700
 C                 -2.29472800   -1.22435100   -0.00087100
 N                  0.03216300    0.29320500   -0.00030500
 C                  2.40662400    0.27571400   -0.00031200
 C                  3.59271400    1.01993900   -0.00059200
 H                  1.54052600   -1.69562900    0.00068100
 H                  5.73958700    0.96783100   -0.00035800
 H                  5.85799500   -1.52584400    0.00095900
 H                  1.20759000    1.97135500   -0.00096000
 H                  3.74394400   -2.84693700    0.00145700
 H                 -0.63562600    2.88120100   -0.89217300
 H                 -0.62879300    2.88117100    0.88888200
 H                 -2.17818500    2.79264400    0.00401100
 H                 -5.53511100    0.78513100    0.00153000
 H                 -5.65795100   -1.70872500   -0.00003200
 H                 -3.49676300   -3.01045400   -0.00158900
 H                 -1.33330200   -1.74005000   -0.00160800
 H                  3.54421400    2.11404900   -0.00115600

33
b/3b-
 Pt                -1.76343500   -0.68818100   -0.14958700
 N                  2.35523000    1.28078100    0.12336700
 N                  1.72263500    2.44108600   -0.07772900
 C                  3.53887100    1.12722300   -0.37632400
 Cl                -3.29010300   -2.29534700   -0.69414200
 Cl                -2.21829400    0.56396300   -2.07690900
 Cl                -1.13305700   -1.80287100    1.81583700
 C                  0.44280200    2.63217900    0.42973800
 C                  4.25683600    2.19070100   -1.14072400
 C                  4.17932500   -0.18649900   -0.14732700
 N                  5.45443600   -0.31450600   -0.54594700
 C                 -0.34155700    3.68310500   -0.06163600
 C                 -0.06875500    1.79976300    1.43626100
 C                  3.47585300   -1.24398400    0.45366700
 C                  6.06013900   -1.48810500   -0.35163400
 C                 -1.62790400    3.87963000    0.42922400
 C                 -1.36939500    1.99670800    1.90097200
 C                  4.12264100   -2.45361900    0.64825900
 C                  5.44915500   -2.58803400    0.23890000
 C                 -2.15657200    3.03643000    1.40557000
 H                  2.06875800    3.10779600   -0.76813300
 H                  4.30648000    3.12499800   -0.55437700
 H                  5.27536300    1.86839500   -1.38332100
 H                  3.73411200    2.42792800   -2.08494700
 H                  0.05884500    4.33678000   -0.84282200
 H                  0.55161900    0.99348400    1.83294500
 H                  2.43425000   -1.10540000    0.74943600
 H                  7.10123100   -1.55520700   -0.68994700
 H                 -2.23033000    4.70059700    0.03141500
 H                 -1.76020300    1.32502600    2.67043500
 H                  3.59471100   -3.29080700    1.11194300
 H                  5.99556200   -3.52428100    0.36867000
 H                 -3.17246900    3.18667100    1.77766000

33
3b-
 Pt                 1.45828300   -0.66201900    0.06497600
 N                 -1.75632600    1.37203400   -0.14559900
 N                 -0.87087700    2.36443800    0.00619800
 C                 -2.96211500    1.53487400    0.29064800
 Cl                 1.60942500   -2.55091500    1.47053100
 Cl                 2.27965400    0.64254800    1.84865500
 Cl                 0.62833800   -2.04670900   -1.67478600
 C                  0.42066500    2.20861000   -0.44335400
 C                 -3.45139000    2.78044200    0.95311200
 C                 -3.87763600    0.38779400    0.09112000
 N                 -5.16735900    0.57951100    0.40789000
 C                  1.37841500    3.17925000   -0.20031900
 C                  0.76769300    1.03591000   -1.19495300
 C                 -3.40413900   -0.83550600   -0.41150300
 C                 -6.01705600   -0.43363900    0.22318100
 C                  2.69356300    2.99799200   -0.65578600
 C                  2.10355200    0.89234400   -1.65488600
 C                 -4.30185000   -1.87454100   -0.59574100
 C                 -5.64457500   -1.67648800   -0.27554700
 C                  3.07460900    1.87035700   -1.35853300
 H                 -1.09970200    3.20245100    0.54217500
 H                 -3.27153600    3.66431800    0.31687400
 H                 -4.52495100    2.70705300    1.15711100
 H                 -2.92577300    2.95256300    1.90911300
 H                  1.10916100    4.08052500    0.35812800
 H                 -0.04633200    0.50453600   -1.69220100
 H                 -2.34388700   -0.95518200   -0.64443200
 H                 -7.06306300   -0.24129900    0.49051100
 H                  3.42959500    3.77960100   -0.44825800
 H                  2.32188600    0.11418800   -2.39015500
 H                 -3.95679400   -2.83616900   -0.98409700
 H                 -6.38587500   -2.46766200   -0.40435300
 H                  4.09865200    1.75259400   -1.71742100

33
3/4b-
 Pt                -0.50462100   -0.85548300    0.20047600
 C                 -1.93902900    0.86152300   -1.39751200
 C                 -1.78425900    1.95997400   -0.53855800
 C                 -3.20415200    0.27648100   -1.54683300
 N                  0.52669200    1.65155000   -0.44521100
 Cl                -0.34608600   -2.87579500    1.33835300
 Cl                -0.09154300   -1.95615000   -1.85395900
 Cl                -0.89105600    0.27019500    2.23148200
 N                 -0.52299000    2.50720900   -0.31992500
 C                 -2.89884700    2.48766600    0.12560200
 C                 -4.30522400    0.78267200   -0.87137800
 C                  1.69113100    2.08389700   -0.07953000
 C                 -4.14396600    1.90223500   -0.04509700
 C                  1.90609200    3.44896500    0.48024400
 C                  2.84184500    1.16411200   -0.22695000
 C                  2.76253600    0.03099300   -1.04652100
 N                  3.95382400    1.48790400    0.45061600
 C                  3.86530200   -0.80495700   -1.13694800
 C                  5.00553900    0.67354500    0.34974700
 C                  5.01661500   -0.48539600   -0.42061300
 H                 -1.10809400    0.53148800   -2.02221500
 H                 -3.30843300   -0.58283200   -2.21517000
 H                 -0.47692000    3.17649100    0.45114200
 H                 -2.77130300    3.33552100    0.80524000
 H                 -5.28836200    0.32091400   -0.98705100
 H                 -5.00431900    2.31213000    0.49041500
 H                  1.49383400    4.21243000   -0.20046000
 H                  1.38121300    3.55809400    1.44741200
 H                  2.97053100    3.63723500    0.65333400
 H                  1.84517000   -0.19050800   -1.59406000
 H                  3.82518000   -1.69845300   -1.76567700
 H                  5.89714300    0.96230300    0.91903400
 H                  5.90824900   -1.11430000   -0.46129300

33
4b-
 Pt                -0.45042900   -1.09231200    0.08521200
 N                  0.39915300    0.52468100   -0.84535300
 Cl                -0.60124800    0.11220400    2.11335500
 Cl                -0.25083600   -2.24002200   -1.98801700
 Cl                -1.33401300   -3.00959500    1.12551700
 N                  1.69809400    0.30144300   -1.33258600
 C                 -0.07121900    1.72268900   -1.01151100
 C                  2.77261300    0.54710500   -0.44913400
 C                 -1.44991100    2.03186600   -0.56593400
 C                  0.72568500    2.82878100   -1.60350300
 C                  2.64433300    1.29937400    0.72224600
 C                  4.03102900    0.04973500   -0.81574000
 N                 -1.56933200    3.18063000    0.11100700
 C                 -2.52700200    1.20419300   -0.88652700
 C                  3.77046400    1.55690800    1.50332000
 C                  5.14285400    0.31255200   -0.02607000
 C                 -2.78445100    3.50224900    0.55578200
 C                 -3.79023500    1.57143600   -0.43722500
 C                  5.02338300    1.07338900    1.13795800
 C                 -3.92211200    2.73283900    0.31646100
 H                  1.71253800   -0.65000600   -1.71339400
 H                  1.40104400    2.44156400   -2.37835200
 H                  1.35378200    3.29095800   -0.82218300
 H                  0.06622400    3.60770100   -2.00485200
 H                  1.66255900    1.65656200    1.04457300
 H                  4.12640300   -0.54083400   -1.73195200
 H                 -2.37130000    0.30113900   -1.48101900
 H                  3.65576000    2.14313000    2.41887600
 H                  6.11696400   -0.08253700   -0.32662500
 H                 -2.86088000    4.43315200    1.12874200
 H                 -4.66066600    0.95515000   -0.67292200
 H                  5.89973700    1.28176600    1.75594500
 H                 -4.89308300    3.05267600    0.69987200

33
4/1b-
 Pt                 0.71527300   -0.93418500    0.02051500
 N                 -0.58359500    0.46264500    0.66410400
 N                  1.62684600    1.19259100   -0.65037800
 N                 -1.80487600    0.07499500    1.19565300
 C                 -0.31039200    1.74319000    0.64745500
 Cl                 2.33169900   -2.39845900   -0.86796700
 Cl                -1.04819000   -2.43386900   -0.62434100
 Cl                 2.30259000   -0.34639400    2.05304800
 C                  0.92959900    2.16035200   -0.02554700
 C                  2.77096600    1.49138100   -1.25393900
 C                 -2.97151200    0.28313200    0.40770600
 C                 -1.19913200    2.76100700    1.26587100
 C                  1.36677200    3.48740500   -0.02913300
 C                  3.28373300    2.78670700   -1.29225400
 C                 -4.17435800   -0.19377400    0.94106800
 C                 -2.97152700    0.92302200   -0.83313000
 C                  2.56073800    3.79889700   -0.67235600
 C                 -5.36127800   -0.03662000    0.23638700
 C                 -4.17076800    1.08336700   -1.52591600
 C                 -5.36903900    0.60853100   -1.00099600
 H                 -1.72426500   -0.91414200    1.44115700
 H                  3.29519900    0.65399800   -1.72785800
 H                 -0.59988200    3.49752900    1.81976100
 H                 -1.76837800    3.31163000    0.49778200
 H                 -1.91129200    2.29160300    1.95472700
 H                  0.79012600    4.27071500    0.46437800
 H                  4.22571400    2.99058100   -1.80409300
 H                 -4.16500900   -0.69098600    1.91543200
 H                 -2.03724200    1.27498700   -1.27812900
 H                  2.92231100    4.82904000   -0.68424900
 H                 -6.29252500   -0.41847300    0.66297300
 H                 -4.15768800    1.58015400   -2.49952400
 H                 -6.30346800    0.73687400   -1.55206800

33
1b-
 Pt                -0.63662200   -0.84711700   -0.25005900
 N                 -2.23111000    0.26095800    0.37813500
 N                  0.27076700    0.93483800    0.22841800
 C                 -1.95046700    1.58165400    0.57017300
 C                 -3.49687600   -0.16825000    0.48045900
 Cl                 1.22311300   -1.93455700   -1.18663900
 Cl                -1.92482200   -2.75874800   -0.74180000
 N                  1.58759700    1.23086200    0.11950700
 C                 -0.53869200    1.93443900    0.50736200
 C                 -2.96945500    2.49292000    0.84185300
 C                 -4.54680700    0.69179900    0.77036700
 C                  2.56796300    0.38827700    0.62414700
 C                 -0.03550100    3.29811700    0.79524700
 C                 -4.28022300    2.04483300    0.94291300
 C                  2.32206300   -0.48002800    1.69480300
 C                  3.85508600    0.47132000    0.07438200
 Cl                 2.15588300    3.39773000   -2.02786000
 C                  3.34502400   -1.29548200    2.16771100
 C                  4.86982700   -0.33728700    0.56924200
 C                  4.62120000   -1.23546400    1.60912300
 H                 -3.64652400   -1.23620300    0.30756900
 H                  1.83521400    1.97871000   -0.57138200
 H                 -2.73830900    3.55081800    0.96364800
 H                 -5.55878100    0.29325800    0.84754100
 H                  0.89609000    3.21864900    1.37752400
 H                  0.23994000    3.82014500   -0.13817300
 H                 -0.76351700    3.89982800    1.35160800
 H                 -5.08548300    2.75062200    1.15292600
 H                  1.32517400   -0.51992100    2.14155300
 H                  4.03065400    1.16723900   -0.75182800
 H                  3.14195300   -1.98217400    2.99404800
 H                  5.86885000   -0.27203000    0.12951200
 H                  5.42063100   -1.87673100    1.98802500

32
1b
 C                  2.73081300    0.95705700    0.97296500
 C                  5.22580100   -0.02399100    0.20259500
 C                  5.08350500    0.60799700    1.43878100
 N                  1.82107400    0.14541200   -1.19761700
 C                  3.83515700    1.09298800    1.81494600
 C                  0.20307200    1.75372700   -0.80537200
 C                 -1.14137000    2.00818500   -0.29080200
 C                  1.07925500    2.84072000   -1.29753100
 N                 -1.83444300    0.90141100    0.10321500
 C                 -3.07530500    1.03729300    0.58543500
 C                 -3.68546900    2.28075500    0.70333600
 C                 -2.98694400    3.41674700    0.31721300
 C                 -1.69761200    3.27754000   -0.18666500
 N                  0.55078400    0.49424700   -0.78544100
 Cl                -2.48638300   -2.23097800    0.75618100
 C                  2.88367200    0.33121600   -0.26466100
 C                  4.13685500   -0.15955100   -0.64835400
 Cl                 0.60959500   -2.68872000   -0.46388400
 Pt                -0.79648300   -0.84328800   -0.09851700
 H                  1.75340900    1.32132000    1.30081200
 H                  6.19891600   -0.41358900   -0.10679300
 H                  5.94165200    0.71714400    2.10545700
 H                  1.77673000   -0.84225800   -1.47488300
 H                  3.70542800    1.58026700    2.78466100
 H                  1.85858500    2.43029500   -1.95225500
 H                  1.57499700    3.35530300   -0.45676100
 H                  0.49490800    3.58986200   -1.84925000
 H                 -3.57102300    0.10900000    0.87883900
 H                 -4.69928900    2.34188600    1.09976600
 H                 -3.43748900    4.40651600    0.40562400
 H                 -1.12098400    4.15157700   -0.49087400
 H                  4.24474600   -0.64756800   -1.62144200

32
cis-1/5b
 Pt                 0.06559900   -0.58949700    0.00499000
 C                 -2.45942800   -0.10967400    0.04282400
 N                  1.94799900    0.00307400   -0.48841200
 C                 -3.47201900   -0.68881000   -0.72419800
 C                 -2.33874000    1.29012500    0.09336800
 N                 -0.03037900    1.35035300    0.42311200
 Cl                -0.56646000   -1.36864800    2.65745400
 Cl                 0.21538500   -2.81968000   -0.69992900
 C                  2.22110400    1.28493800   -0.09452800
 C                  2.92666400   -0.78097800   -0.95844600
 C                 -4.40081700    0.11333700   -1.37969000
 N                 -1.23763600    1.88176700    0.76164300
 C                 -3.27695700    2.09462400   -0.54898900
 C                  1.06975600    2.05345700    0.37333000
 C                  3.51600500    1.78426100   -0.18443900
 C                  4.23101200   -0.32209400   -1.08309400
 C                 -4.31272400    1.50081000   -1.26688100
 C                  1.10273900    3.49620000    0.71873700
 C                  4.52959000    0.97540500   -0.68669200
 H                 -1.91421200   -0.74618900    0.77675700
 H                 -3.54621700   -1.77796600   -0.76975700
 H                  2.63032900   -1.79440300   -1.23772300
 H                 -5.20315800   -0.33988900   -1.96526000
 H                 -1.24872600    2.90178100    0.79605000
 H                 -3.18193700    3.18287000   -0.50825900
 H                  3.73283300    2.80099700    0.14361900
 H                  4.99410700   -0.98716200   -1.48778100
 H                 -5.04550100    2.13722600   -1.76818600
 H                  0.43119000    4.07187000    0.05992500
 H                  2.10527600    3.92402300    0.61557900
 H                  0.77301700    3.65277000    1.75855100
 H                  5.54754800    1.36045700   -0.76287100

32
trans-1/5b
 Pt                 0.00095200   -0.52047200   -0.18153200
 C                 -2.10963300    0.07227100   -0.99639800
 N                  2.04958600   -0.25529300   -0.11753900
 C                 -2.17478600    1.37633900   -0.43866100
 C                 -3.23202400   -0.76917600   -0.89557500
 N                  0.13867600    1.45575400   -0.24530100
 Cl                -0.03661400   -2.86966700   -0.25720800
 Cl                -1.03186100   -0.37537500    2.41146000
 C                  2.40814400    1.06384900   -0.04782000
 C                  2.98698500   -1.21054200   -0.07134400
 C                 -3.35670600    1.84090100    0.12984000
 N                 -1.01250800    2.14940200   -0.41905200
 C                 -4.39456700   -0.32155400   -0.29069000
 C                  1.31335600    2.02253800   -0.13232700
 C                  3.75120000    1.41927600    0.07303200
 C                  4.33575200   -0.90844400    0.04085400
 C                 -4.45679100    0.99165100    0.19044900
 C                  1.46340900    3.49804500   -0.12961000
 C                  4.72109700    0.42678500    0.11521900
 H                 -1.38037700   -0.13618400   -1.81151900
 H                 -3.17219200   -1.77333900   -1.32207300
 H                  2.61706200   -2.23723500   -0.12475700
 H                 -3.40124400    2.84328700    0.56238500
 H                 -1.04852100    3.09363700   -0.03573800
 H                 -5.26458200   -0.97557400   -0.21114900
 H                  4.03464000    2.47034600    0.13262600
 H                  5.06648800   -1.71677600    0.07313700
 H                 -5.37899100    1.35527700    0.64998800
 H                  0.93162600    3.93571100   -0.99052100
 H                  2.51213000    3.80835500   -0.18864800
 H                  1.03649600    3.93793500    0.78793700
 H                  5.77438000    0.69644100    0.20695200

32
trans-5b
 Pt                -0.03122200   -0.56030200   -0.30263200
 C                 -2.13332900   -0.10062400   -0.78745500
 N                  2.00416500   -0.27967200   -0.06778300
 C                 -2.20811100    1.29148200   -0.48656500
 C                 -3.22663600   -0.92833000   -0.46015900
 N                  0.10058900    1.40611000   -0.46267100
 Cl                -0.08600000   -2.90682600   -0.17568300
 Cl                -0.59587200    0.14772800    2.65283700
 C                  2.35605500    1.04114100   -0.11384800
 C                  2.93583400   -1.21946000    0.11418000
 N                 -1.06588100    2.06590800   -0.66792600
 C                 -3.37131500    1.83396900    0.04851200
 C                 -4.36869600   -0.39220300    0.10681900
 C                  1.25891400    1.98869700   -0.31910200
 C                  3.68873400    1.41463800    0.02653200
 C                  4.28032700   -0.90029100    0.26113300
 C                 -4.44094500    0.98910200    0.32850100
 C                  1.39963400    3.46498300   -0.35345900
 C                  4.65835200    0.43531000    0.21565600
 H                 -1.52434700   -0.41783200   -1.68406700
 H                 -3.15638600   -1.99504100   -0.68550500
 H                  2.56892000   -2.24835700    0.14322400
 H                 -1.09213500    3.05638800   -0.42854400
 H                 -3.42143400    2.89781400    0.29115100
 H                 -5.21466200   -1.03223700    0.36207300
 H                  3.97086100    2.46677200   -0.01455400
 H                  5.00955700   -1.69637800    0.41190000
 H                 -5.34805000    1.41696900    0.76213600
 H                  0.94361800    3.87531600   -1.26919500
 H                  0.89340700    3.92399800    0.51294000
 H                  2.44714300    3.78327200   -0.33018900
 H                  5.70563100    0.72065100    0.32647700

31
5b+
 Pt                -0.07092600   -0.55310800   -0.14878000
 N                  0.03395200    1.43126100   -0.23104800
 N                  1.94822800   -0.27504200    0.12308200
 C                  1.19699700    2.00447100   -0.09579700
 N                 -1.15083800    2.06336000   -0.41264800
 Cl                -0.12370000   -2.88140300   -0.00494200
 C                  2.88388200   -1.21342100    0.28694100
 C                  2.29571500    1.04573300    0.08005700
 C                  1.44254700    3.46624500   -0.11099000
 C                 -2.28015300    1.29534200   -0.15364200
 C                  4.22886800   -0.88686500    0.42651200
 C                  3.62483100    1.42690200    0.20437900
 C                 -2.20991100   -0.11368000   -0.36548600
 C                 -3.44173200    1.86760200    0.35609100
 C                  4.60099100    0.44880900    0.38303100
 C                 -3.30275200   -0.92194600    0.00801400
 C                 -4.51236900    1.04155800    0.68341300
 C                 -4.44477000   -0.34989100    0.53873100
 H                 -1.18125700    3.07197200   -0.27546500
 H                  2.52380400   -2.24454400    0.31179900
 H                  0.52886600    4.06073800   -0.22119600
 H                  2.10853700    3.72697500   -0.94873500
 H                  1.94145300    3.77875300    0.81924400
 H                  4.96166000   -1.68062500    0.57109000
 H                  3.90009400    2.48105400    0.16050300
 H                 -1.65915600   -0.47796000   -1.29027700
 H                 -3.49351800    2.94483300    0.52886300
 H                  5.64792400    0.73719600    0.48766600
 H                 -3.23928400   -1.99860000   -0.16452700
 H                 -5.42030700    1.49595600    1.08684500
 H                 -5.29592100   -0.97170200    0.81979100

32
cis-5b
 Pt                -0.01745100   -0.50171900   -0.17155900
 C                  2.07692900   -0.03159700   -0.07665100
 N                 -0.16754800    1.46137500    0.08666200
 C                  3.16515500   -0.77524000   -0.58158000
 C                  2.13553700    1.39317200   -0.16528800
 N                 -2.07031600   -0.26217500   -0.26051500
 Cl                 0.09260700   -2.81190700   -0.51598700
 N                  1.01160600    2.10982100    0.22685900
 C                 -1.35085500    2.00999800    0.09304100
 C                  4.27677800   -0.14042300   -1.10793100
 C                  3.26443600    2.03453300   -0.66662200
 Cl                 1.41365500   -0.67177000    3.05146700
 C                 -2.44029500    1.03842300   -0.06849600
 C                 -2.99910800   -1.20976300   -0.40717300
 C                 -1.62378000    3.45939100    0.24994500
 C                  4.32587300    1.25922500   -1.12382000
 C                 -3.78411800    1.39025400   -0.02935000
 C                 -4.35794800   -0.91411400   -0.38634500
 C                 -4.75229600    0.40251100   -0.19374700
 H                  1.68167700   -0.42796400    0.95262100
 H                  3.12505000   -1.86509600   -0.50926900
 H                  1.01182700    3.12756400    0.20914100
 H                  5.11959600   -0.72123800   -1.48639300
 H                  3.29967500    3.12448500   -0.72969800
 H                 -2.62057500   -2.22515900   -0.54950700
 H                 -2.24223900    3.82561200   -0.58365600
 H                 -2.17867400    3.64393900    1.18366600
 H                 -0.71452700    4.07043500    0.28172100
 H                  5.20964700    1.76199000   -1.52404700
 H                 -4.07472400    2.42820600    0.13628900
 H                 -5.08546500   -1.71454900   -0.52138100
 H                 -5.81060100    0.66697000   -0.16800300

32
5/2b
 Pt                -0.04196600   -0.49915900   -0.16445500
 C                  1.99063700   -0.01271900   -0.17692800
 C                  4.31130500    1.28702900   -1.08006100
 C                  4.24911300   -0.11188700   -1.09447400
 N                  0.94690300    2.13307700    0.14023800
 C                  3.10126500   -0.74708800   -0.65090700
 C                 -1.41652100    1.99171500    0.12317800
 C                 -2.50189800    1.00792700    0.00044700
 C                 -1.69515200    3.43918500    0.29207500
 N                 -2.12565300   -0.29379400   -0.16312000
 C                 -3.05030300   -1.24799000   -0.28004100
 C                 -4.41169200   -0.96170600   -0.25721400
 C                 -4.81157600    0.35802300   -0.10065100
 C                 -3.84780100    1.35486400    0.03438700
 N                 -0.22577400    1.46151100    0.06187100
 Cl                 1.86664600   -0.64356900    2.80322200
 Cl                 0.10892900   -2.81567800   -0.46006200
 C                  2.07477100    1.41504300   -0.23679100
 C                  3.23138500    2.06046400   -0.66460500
 H                  1.75990600   -0.37851100    0.99774700
 H                  5.22138600    1.79033000   -1.41566600
 H                  5.10816500   -0.69359700   -1.43427900
 H                  0.93238300    3.14944300    0.08908700
 H                  3.04995100   -1.83874200   -0.60608400
 H                 -2.15668600    3.85639200   -0.61731800
 H                 -0.79689200    4.02493100    0.51983400
 H                 -2.39978100    3.59557200    1.12283700
 H                 -2.66628000   -2.26434100   -0.40361500
 H                 -5.13599400   -1.76893000   -0.36742100
 H                 -5.87110600    0.61860500   -0.08202500
 H                 -4.14539600    2.39612600    0.16340700
 H                  3.27940300    3.15159600   -0.69614500

30
2b
 Pt                -0.11860800   -0.55131900   -0.00117500
 C                 -2.06549400   -0.10908800   -0.00192400
 C                 -4.64099500    1.06077300   -0.00488200
 C                 -4.49378500   -0.32309400   -0.00589300
 N                 -1.08762000    2.08391300    0.00073100
 C                 -3.21575700   -0.89615700   -0.00412000
 C                  1.25520900    1.97449700    0.00402200
 C                  2.37130900    1.02179800    0.00035200
 C                  1.39892600    3.45343700    0.01482800
 N                  2.03891500   -0.30147000   -0.00341100
 C                  2.99761800   -1.22740800   -0.00828800
 C                  4.35118000   -0.90528300   -0.00972800
 C                  4.70560200    0.43771400   -0.00535000
 C                  3.71035900    1.41047100   -0.00012800
 N                  0.07058800    1.41371000   -0.00127800
 Cl                -0.26278100   -2.89975300    0.01508400
 C                 -2.25344800    1.29812100   -0.00116100
 C                 -3.51500300    1.88589800   -0.00241000
 H                 -5.63696000    1.51079900   -0.00608000
 H                 -5.37805200   -0.96657700   -0.00802400
 H                 -1.09252000    3.09987000    0.00443500
 H                 -3.11170700   -1.98566100   -0.00419900
 H                  2.44638000    3.77294200    0.02144600
 H                  0.91433700    3.88750400    0.90647600
 H                  0.92124700    3.90144900   -0.87360500
 H                  2.64956200   -2.26491100   -0.01081500
 H                  5.10097500   -1.69670600   -0.01422300
 H                  5.75608000    0.73488500   -0.00605200
 H                  3.98007400    2.46688100    0.00311300
 H                 -3.61823300    2.97507100   -0.00149300

32
1c
 Pt                -1.17594900   -0.81797400    0.01109100
 N                  0.17237400    0.15581700   -1.13259700
 N                 -1.91360200    1.08451000    0.06061500
 N                  1.30622300   -0.44869800   -1.65055400
 C                 -0.01029200    1.43172000   -1.34179000
 Cl                -2.81143800   -1.75841500    1.40454600
 Cl                -0.16360500   -2.91660200   -0.29498000
 C                 -1.19097000    1.97881000   -0.67370700
 C                 -3.00516600    1.49940600    0.71421000
 C                  2.49124800   -0.34903000   -0.87640200
 C                  0.89035800    2.27700500   -2.15784100
 C                 -1.56252500    3.31542700   -0.74848800
 C                 -3.42825100    2.82329300    0.66988700
 C                  2.64114100    0.55638900    0.17479300
 C                  3.54872200   -1.19884400   -1.22444000
 C                 -2.69801400    3.74452600   -0.06823000
 C                  3.86169100    0.60169400    0.84448300
 C                  4.74841000   -1.13181100   -0.53130300
 C                  4.92676300   -0.22375000    0.51298700
 Cl                 4.04528400    1.74824400    2.15909000
 H                  1.07249900   -1.43696400   -1.79938900
 H                 -3.53826300    0.73193800    1.28057000
 H                  0.30594700    2.94589000   -2.80601400
 H                  1.51961500    2.91022100   -1.50969100
 H                  1.54646300    1.65302200   -2.77650400
 H                 -0.96353700    4.01570800   -1.33129900
 H                 -4.32481200    3.11385500    1.21817600
 H                  1.82765900    1.21143500    0.49348000
 H                  3.41866700   -1.91021200   -2.04426200
 H                 -3.00422400    4.79042400   -0.11624800
 H                  5.56789100   -1.79867100   -0.80840500
 H                  5.86834000   -0.15996600    1.06016800

32
trans-1/5c
 Pt                 0.49027400   -0.58248400   -0.22242500
 C                 -1.64158400   -0.30854700   -1.09507600
 N                  2.48104500   -0.05144700   -0.04818000
 C                 -1.89697600    1.00874500   -0.62596100
 C                 -2.66095700   -1.27307100   -0.99697700
 N                  0.37784700    1.39056600   -0.35844400
 Cl                 0.74731800   -2.91598900   -0.18317700
 Cl                -0.67652400   -0.48551900    2.30630800
 C                  2.66007400    1.30467600   -0.00581500
 C                  3.52774400   -0.87136600    0.11122700
 N                 -0.84664800    1.92299100   -0.60310100
 C                 -3.15305800    1.35904300   -0.14288800
 C                 -3.90248400   -0.94954400   -0.48102000
 C                  1.46027400    2.10942300   -0.20675700
 C                  3.92841500    1.84019700    0.21026800
 C                  4.81124900   -0.38832600    0.32031100
 C                 -4.13349600    0.37395300   -0.09058500
 C                  1.42750900    3.59136000   -0.25794900
 C                  5.01205000    0.98734000    0.37390600
 Cl                -5.70569600    0.80443600    0.51963100
 H                 -0.86795900   -0.46135500   -1.88302200
 H                 -2.46658900   -2.28496100   -1.35993200
 H                  3.30236900   -1.93978400    0.07189300
 H                 -1.01676800    2.86768500   -0.25944300
 H                 -3.35518500    2.36492300    0.23066100
 H                 -4.70000100   -1.68943400   -0.40324100
 H                  4.06287300    2.92128300    0.25204700
 H                  5.63502600   -1.09152500    0.44447700
 H                  0.81220700    3.92834300   -1.10780100
 H                  0.99042500    4.01175800    0.66393300
 H                  2.42857200    4.02096000   -0.37856900
 H                  6.00874600    1.39800500    0.54319100

32
cis-1/5c
 Pt                 0.59934300   -0.64140600   -0.02432900
 C                 -1.92933100   -0.75678900    0.38321900
 N                  2.23974400    0.40928200   -0.61168500
 C                 -2.89194300   -1.47743500   -0.32448600
 C                 -2.11056000    0.62201700    0.59360900
 N                  0.15531100    1.16770500    0.67297900
 Cl                 0.47791200   -1.86322300    2.55331800
 Cl                 1.10899300   -2.68419200   -1.04512700
 C                  2.28620600    1.66541400   -0.06964500
 C                  3.29046000   -0.07285600   -1.28703300
 C                 -4.06078400   -0.86578700   -0.76156800
 N                 -1.08391100    1.38146700    1.19870000
 C                 -3.28104400    1.24863900    0.17358800
 C                  1.06952400    2.09859200    0.61451800
 C                  3.42372000    2.45084800   -0.21805300
 C                  4.44063800    0.68110900   -1.47887700
 C                 -4.24516300    0.48606300   -0.48023700
 C                  0.84828300    3.46323400    1.15348800
 C                  4.50982200    1.95634900   -0.93255000
 Cl                -5.71725000    1.26873400   -0.99806000
 H                 -1.16379900   -1.31615200    0.96744100
 H                 -2.73752800   -2.54483700   -0.49790700
 H                  3.18073100   -1.08684000   -1.67731000
 H                 -4.83045100   -1.42551300   -1.29455900
 H                 -1.30315300    2.36321000    1.37120500
 H                 -3.43280600    2.31935400    0.32571600
 H                  3.46267100    3.44445600    0.22842900
 H                  5.26604600    0.25834500   -2.05170800
 H                 -0.00874800    3.94751500    0.65584600
 H                  1.71814600    4.11135500    1.00538200
 H                  0.63439800    3.42301200    2.23377200
 H                  5.40460200    2.56779300   -1.05670500

31
5c+
 Pt                 0.43890200   -0.62027900   -0.16045200
 N                  0.31677500    1.35489700   -0.35045300
 N                  2.39183300   -0.07863500    0.23029100
 C                  1.38806700    2.07524700   -0.17313700
 N                 -0.92189200    1.83326600   -0.64051000
 Cl                 0.66623600   -2.92958100    0.06730600
 C                  3.42518300   -0.88179800    0.49473100
 C                  2.57911600    1.27138500    0.13353300
 C                  1.45207200    3.55281100   -0.26572000
 C                 -1.94925200    0.92225900   -0.46366500
 C                  4.70765400   -0.38102800    0.69493100
 C                  3.83913600    1.82484900    0.31721600
 C                 -1.66521000   -0.46525600   -0.69360100
 C                 -3.20133000    1.32620800   -0.01654700
 C                  4.91496800    0.98794200    0.60530000
 C                 -2.66669800   -1.41867800   -0.38465000
 C                 -4.15155400    0.34233700    0.24256200
 C                 -3.89819400   -1.03034600    0.09554600
 Cl                -5.70992500    0.83815600    0.81135900
 H                 -1.09099100    2.83060900   -0.51835700
 H                  3.19699800   -1.94897800    0.54825300
 H                  0.48782500    4.01538600   -0.50375400
 H                  2.16012500    3.84887400   -1.05557400
 H                  1.81197600    3.98217300    0.68202600
 H                  5.52251800   -1.06879500    0.92050300
 H                  3.98233800    2.90237700    0.23155200
 H                 -1.06257500   -0.70550700   -1.61076800
 H                 -3.42689600    2.37700700    0.17374500
 H                  5.90934300    1.41150300    0.75467900
 H                 -2.45545200   -2.47486400   -0.56739200
 H                 -4.67760100   -1.75609700    0.32872200

32
1d
 Pt                 1.40617200   -0.82250100   -0.10317200
 N                  0.20900200    0.41744300    0.94847700
 N                  2.50853100    0.89627500   -0.10641700
 N                 -1.04777600    0.05345800    1.41204500
 C                  0.62286700    1.63845800    1.15816500
 Cl                -0.03863300   -2.66129700    0.07331000
 Cl                 2.92292700   -2.08079200   -1.37257100
 C                  1.92595900    1.93300600    0.56037700
 C                  3.69832800    1.07509300   -0.69140700
 C                 -2.13276400    0.32735100    0.55050100
 C                 -0.14269000    2.66101900    1.90677900
 C                  2.53994500    3.17723300    0.63352500
 C                  4.36322700    2.29563300   -0.64455300
 C                 -2.06650200    1.22643300   -0.51615000
 C                 -3.35724000   -0.31650000    0.78942400
 C                  3.77659300    3.36191300    0.02255300
 C                 -3.18168600    1.49336500   -1.30323200
 C                 -4.47999800   -0.06425700    0.01418200
 Cl                -3.47619700   -1.47603300    2.09340100
 C                 -4.38152600    0.85050200   -1.02844100
 Cl                -5.79401600    1.18932400   -2.00452400
 H                 -1.01462000   -0.95007200    1.62489400
 H                  4.10758300    0.20220800   -1.20534200
 H                  0.51661500    3.19753900    2.60425100
 H                 -0.56584900    3.40843100    1.21432700
 H                 -0.96473800    2.19684700    2.46439800
 H                  2.05245300    3.99825000    1.15985200
 H                  5.33203900    2.39348300   -1.13515800
 H                 -1.12323500    1.72211000   -0.75541500
 H                  4.27261400    4.33234200    0.06968200
 H                 -3.11135200    2.19729800   -2.13368400
 H                 -5.41771900   -0.57952700    0.22706000

32
trans-1/5d
 Pt                 0.60989500   -0.64934000   -0.24578400
 C                 -1.52050400   -0.25741400   -0.93693400
 N                  2.63869100   -0.27942700   -0.07850500
 C                 -1.64627300    1.11443400   -0.59058600
 C                 -2.58849400   -1.14263200   -0.73007000
 N                  0.65487900    1.32043200   -0.43215000
 Cl                 0.66265300   -2.99256600   -0.12113900
 Cl                -0.32455100   -0.25741500    2.38182600
 C                  2.92532000    1.05803500   -0.08577200
 C                  3.61400100   -1.17675300    0.10277000
 N                 -0.53254200    1.93902800   -0.66418500
 C                 -2.87447800    1.57055200   -0.10725100
 C                 -3.77625000   -0.66181300   -0.20860800
 C                  1.79031100    1.95341600   -0.30069200
 C                  4.23408000    1.49531400    0.10260200
 C                  4.93590000   -0.79321800    0.28384700
 C                 -3.93536700    0.69465000    0.08250000
 Cl                -3.06092300    3.25056600    0.32015100
 Cl                -5.11365800   -1.74791000    0.06211800
 C                  1.87495300    3.43252300   -0.36839800
 C                  5.24697600    0.56179300    0.28655700
 H                 -0.78348600   -0.54586000   -1.74043600
 H                 -2.47584600   -2.19430500   -0.99940800
 H                  3.29901000   -2.22310400    0.10316300
 H                 -0.62524300    2.90966400   -0.36130300
 H                  4.45912500    2.56198100    0.10711600
 H                  5.70152300   -1.55636300    0.42556900
 H                 -4.87956500    1.06983700    0.48108100
 H                  1.28079800    3.81066500   -1.21523100
 H                  1.48304800    3.89237600    0.55478200
 H                  2.90512000    3.77977600   -0.50321300
 H                  6.27559600    0.89485700    0.43290500

32
cis-1/5d
 Pt                 0.70284200   -0.69604400    0.09874300
 C                 -1.76078300   -0.46078500    0.51764700
 N                  2.45192500    0.02011300   -0.64912200
 C                 -1.80109200    0.94602200    0.49813500
 C                 -2.78102200   -1.21598000   -0.05639900
 N                  0.49745100    1.24535700    0.46054500
 Cl                 0.95463300   -2.93511500   -0.52386100
 Cl                 0.46931300   -1.41201100    2.92573800
 C                  2.64696300    1.34691600   -0.37336300
 C                  3.42701100   -0.70296400   -1.21255300
 C                 -2.93267400    1.57049600   -0.03407700
 N                 -0.69587900    1.68510700    0.95321200
 C                 -3.88204000   -0.56176300   -0.59592200
 C                  1.49992200    2.04208300    0.20939200
 C                  3.86026800    1.95300300   -0.67508000
 C                  4.64935600   -0.13676100   -1.55074900
 C                 -3.97893200    0.82676700   -0.56927400
 Cl                -3.02562900    3.31396200   -0.06512200
 C                  1.43097600    3.50387800    0.45130000
 C                  4.87014000    1.20559200   -1.27308800
 Cl                -5.18084300   -1.48830800   -1.30075800
 H                 -1.04919100   -0.97651800    1.21528200
 H                 -2.72810100   -2.30597800   -0.04522000
 H                  3.19654100   -1.75512700   -1.39179600
 H                 -0.81211300    2.69961200    0.95918000
 H                  4.01732900    3.00530700   -0.43791100
 H                  5.41078700   -0.75599800   -2.02488600
 H                 -4.84938100    1.33452600   -0.98767400
 H                  1.28963100    3.71500200    1.52365300
 H                  0.58098400    3.94610700   -0.09671400
 H                  2.33743900    4.02108900    0.12006800
 H                  5.82427800    1.67534000   -1.51614800

31
5d+
 Pt                 0.62205100   -0.67295400   -0.22788700
 C                 -1.53655800   -0.35912300   -0.52680300
 N                  2.58838900   -0.26750900    0.19102800
 C                 -1.69412200    1.04525800   -0.36524700
 C                 -2.58712400   -1.23778500   -0.22309200
 N                  0.60254500    1.31546600   -0.29853500
 Cl                 0.72522700   -3.00022100   -0.10123100
 C                  2.85528600    1.07259000    0.17137700
 C                  3.56335100   -1.14759700    0.43154400
 N                 -0.60618700    1.87938900   -0.55610300
 C                 -2.94122200    1.53107600    0.03850500
 C                 -3.79659500   -0.72007200    0.20823600
 C                  1.71557800    1.96117600   -0.09563300
 C                  4.14178400    1.53568700    0.40585400
 C                  4.86938100   -0.73680600    0.67991000
 C                 -3.98536000    0.65935600    0.31768400
 Cl                -3.17479000    3.24523500    0.22799000
 C                  1.86881900    3.43439300   -0.11496300
 C                  5.15931700    0.61893500    0.66657200
 Cl                -5.11713400   -1.78783400    0.58967900
 H                 -0.87432600   -0.72063600   -1.39166500
 H                 -2.45274900   -2.31176000   -0.36417600
 H                  3.26847900   -2.19939300    0.42741400
 H                 -0.71481900    2.88116100   -0.39568900
 H                  4.35261800    2.60507800    0.38415200
 H                  5.63539200   -1.48495700    0.88305700
 H                 -4.94677800    1.06138700    0.64266300
 H                  2.22127400    3.79593800    0.86358000
 H                  2.62020400    3.72210200   -0.86660400
 H                  0.94223500    3.96407500   -0.36287500
 H                  6.17388300    0.97142700    0.85749600













