30
TP monomer neutral
 C                 -0.70422200    1.25251100    0.00000000
 C                 -0.73259500   -1.23612900    0.00000000
 C                 -3.53865200   -1.23776800    0.00000000
 H                 -4.62009000   -1.22920500    0.00000000
 C                 -1.43681700   -0.01638100    0.00000000
 C                  1.43681700   -0.01638100    0.00000000
 C                  0.70422200    1.25251100    0.00000000
 C                  2.84271100   -0.05048000    0.00000000
 H                  3.40836800    0.86744500    0.00000000
 C                 -1.37763900    2.48709900    0.00000000
 H                 -2.45541300    2.51801100    0.00000000
 C                  0.73259500   -1.23612900    0.00000000
 C                 -2.84271100   -0.05048000    0.00000000
 H                 -3.40836800    0.86744500    0.00000000
 C                 -0.69738700    3.68344600    0.00000000
 H                 -1.24552200    4.61571800    0.00000000
 C                  3.53865200   -1.23776800    0.00000000
 H                  4.62009000   -1.22920500    0.00000000
 C                 -1.46507200   -2.43662000    0.00000000
 H                 -0.95295500   -3.38545500    0.00000000
 C                 -2.84126400   -2.44567800    0.00000000
 H                 -3.37456800   -3.38651300    0.00000000
 C                  2.84126400   -2.44567800    0.00000000
 H                  3.37456800   -3.38651300    0.00000000
 C                  0.69738700    3.68344600    0.00000000
 H                  1.24552200    4.61571800    0.00000000
 C                  1.37763900    2.48709900    0.00000000
 H                  2.45541300    2.51801100    0.00000000
 C                  1.46507200   -2.43662000    0.00000000
 H                  0.95295500   -3.38545500    0.00000000

30
TP monomer +1 charged
 C                  0.03282700   -1.24063600    0.70853700
 C                 -0.01881900    0.00527800   -1.43028800
 C                  0.01680800   -2.47088400   -2.81167800
 H                  0.03608900   -3.40286100   -3.35674900
 C                  0.03282700   -1.24063600   -0.70853700
 C                 -0.00741700    1.27076700    0.70460200
 C                 -0.01881900    0.00527800    1.43028800
 C                  0.01789600    2.49603200    1.38051800
 H                  0.03262800    2.53208700    2.45766000
 C                  0.05931600   -2.46483100    1.45137900
 H                  0.11049600   -3.40961200    0.93857600
 C                 -0.00741700    1.27076700   -0.70460200
 C                  0.05931600   -2.46483100   -1.45137900
 H                  0.11049600   -3.40961200   -0.93857600
 C                  0.01680800   -2.47088400    2.81167800
 H                  0.03608900   -3.40286100    3.35674900
 C                  0.03731600    3.69964400    0.69304900
 H                  0.05829300    4.63020200    1.24145600
 C                 -0.07658100   -0.04349400   -2.82203700
 H                 -0.14035500    0.86239300   -3.40112200
 C                 -0.05995100   -1.24659700   -3.50420600
 H                 -0.10551800   -1.24388700   -4.58396500
 C                  0.03731600    3.69964400   -0.69304900
 H                  0.05829300    4.63020200   -1.24145600
 C                 -0.05995100   -1.24659700    3.50420600
 H                 -0.10551800   -1.24388700    4.58396500
 C                 -0.07658100   -0.04349400    2.82203700
 H                 -0.14035500    0.86239300    3.40112200
 C                  0.01789600    2.49603200   -1.38051800
 H                  0.03262800    2.53208700   -2.45766000

60
TP dimer +1 charged
 C                 -1.62351400    0.17895100    0.70510200
 C                 -0.70574900    2.49162200    0.72320800
 C                 -0.69191200    2.48449900    3.53066500
 H                 -0.69854500    2.48371700    4.61176800
 C                 -1.14936300    1.34545200    1.43599300
 C                 -1.14936300    1.34545200   -1.43599300
 C                 -1.62351400    0.17895100   -0.70510200
 C                 -1.12368100    1.37482500   -2.84324300
 H                 -1.46058000    0.52437100   -3.41322200
 C                 -2.07449500   -0.96879100    1.37595800
 H                 -2.07139300   -1.00872500    2.45296400
 C                 -0.70574900    2.49162200   -0.72320800
 C                 -1.12368100    1.37482500    2.84324300
 H                 -1.46058000    0.52437100    3.41322200
 C                 -2.55091600   -2.08118900    0.69114400
 H                 -2.91114000   -2.93547900    1.24602100
 C                 -0.69191200    2.48449900   -3.53066500
 H                 -0.69854500    2.48371700   -4.61176800
 C                 -0.26723300    3.61718600    1.46061800
 H                  0.06255000    4.50656200    0.94941400
 C                 -0.26115300    3.62000000    2.83147300
 H                  0.06663400    4.49822600    3.36940600
 C                 -0.26115300    3.62000000   -2.83147300
 H                  0.06663400    4.49822600   -3.36940600
 C                 -2.55091600   -2.08118900   -0.69114400
 H                 -2.91114000   -2.93547900   -1.24602100
 C                 -2.07449500   -0.96879100   -1.37595800
 H                 -2.07139300   -1.00872500   -2.45296400
 C                 -0.26723300    3.61718600   -1.46061800
 H                  0.06255000    4.50656200   -0.94941400
 C                  0.70574900   -2.49162200    0.72320800
 C                  1.12368100   -1.37482500    2.84324300
 H                  1.46058000   -0.52437100    3.41322200
 C                  0.26723300   -3.61718600    1.46061800
 H                 -0.06255000   -4.50656200    0.94941400
 C                  0.69191200   -2.48449900   -3.53066500
 H                  0.69854500   -2.48371700   -4.61176800
 C                  0.69191200   -2.48449900    3.53066500
 H                  0.69854500   -2.48371700    4.61176800
 C                  1.14936300   -1.34545200    1.43599300
 C                  0.26115300   -3.62000000   -2.83147300
 H                 -0.06663400   -4.49822600   -3.36940600
 C                  1.62351400   -0.17895100    0.70510200
 C                  0.70574900   -2.49162200   -0.72320800
 C                  2.07449500    0.96879100   -1.37595800
 H                  2.07139300    1.00872500   -2.45296400
 C                  2.07449500    0.96879100    1.37595800
 H                  2.07139300    1.00872500    2.45296400
 C                  0.26115300   -3.62000000    2.83147300
 H                 -0.06663400   -4.49822600    3.36940600
 C                  1.62351400   -0.17895100   -0.70510200
 C                  2.55091600    2.08118900   -0.69114400
 H                  2.91114000    2.93547900   -1.24602100
 C                  1.12368100   -1.37482500   -2.84324300
 H                  1.46058000   -0.52437100   -3.41322200
 C                  1.14936300   -1.34545200   -1.43599300
 C                  0.26723300   -3.61718600   -1.46061800
 H                 -0.06255000   -4.50656200   -0.94941400
 C                  2.55091600    2.08118900    0.69114400
 H                  2.91114000    2.93547900    1.24602100

30
TP Dimer neutral
 C                  0.00549800    0.31320600    1.75626000
 C                 -2.21736100    1.04889200    0.91295200
 C                 -1.43506500    3.73612800    1.09709500
 H                 -1.12384200    4.77000000    1.16743700
 C                 -0.92455600    1.37498300    1.36648300
 C                 -1.68687200   -1.37503200    1.07387200
 C                 -0.37893600   -1.03676500    1.63633500
 C                 -2.04893700   -2.71063800    0.81884400
 H                 -1.35185500   -3.50768300    1.02293000
 C                  1.28374000    0.60702200    2.26348200
 H                  1.61802900    1.62939400    2.34253900
 C                 -2.60209400   -0.35462100    0.75206900
 C                 -0.55848700    2.73093800    1.43962300
 H                  0.43170300    3.00763100    1.76412300
 C                  2.14941000   -0.38760800    2.65744700
 H                  3.12849300   -0.12744500    3.03657700
 C                 -3.27717900   -3.03971400    0.29065800
 H                 -3.52569900   -4.07610600    0.10545300
 C                 -3.09999000    2.09303400    0.58423000
 H                 -4.10012900    1.87208200    0.24665200
 C                 -2.72505400    3.41411500    0.67431400
 H                 -3.42778900    4.19424800    0.41432300
 C                 -4.19651200   -2.02979400    0.00215900
 H                 -5.16858200   -2.27378700   -0.40475500
 C                  1.75990800   -1.72334100    2.55771600
 H                  2.43011400   -2.51461500    2.86510300
 C                  0.51767600   -2.03546900    2.05500900
 H                  0.24392600   -3.07603500    1.98758400
 C                 -3.85667100   -0.71558000    0.22922600
 H                 -4.57850800    0.04502600   -0.02250400
 C                  2.60215000    0.35460100   -0.75221100
 C                  2.04880900    2.71057800   -0.81832000
 H                  1.35183300    3.50771800   -1.02243000
 C                  3.85684000    0.71553200   -0.22962600
 H                  4.57882900   -0.04509600    0.02160200
 C                  1.43489800   -3.73612500   -1.09694900
 H                  1.12359300   -4.76998100   -1.16714600
 C                  3.27716000    3.03962400   -0.29035400
 H                  3.52563100    4.07599800   -0.10498500
 C                  1.68679200    1.37501800   -1.07362400
 C                  2.72480900   -3.41414000   -0.67390100
 H                  3.42739500   -4.19428800   -0.41354900
 C                  0.37887800    1.03679000   -1.63616500
 C                  2.21739800   -1.04890900   -0.91306800
 C                 -1.28341500   -0.60698500   -2.26435200
 H                 -1.61739900   -1.62938400   -2.34435100
 C                 -0.51787000    2.03554100   -2.05442600
 H                 -0.24434700    3.07612700   -1.98642500
 C                  4.19664600    2.02971300   -0.00231200
 H                  5.16880900    2.27368200    0.40438900
 C                 -0.00534700   -0.31318800   -1.75667900
 C                 -2.14923500    0.38769100   -2.65788000
 H                 -3.12819600    0.12753700   -3.03733200
 C                  0.55850700   -2.73090600   -1.43986000
 H                 -0.43167700   -3.00750200   -1.76446000
 C                  0.92465800   -1.37497500   -1.36680000
 C                  3.09984600   -2.09307900   -0.58394800
 H                  4.09989300   -1.87218100   -0.24606400
 C                 -1.76001800    1.72344600   -2.55735900
 H                 -2.43035500    2.51476200   -2.86434800

90
TP trimer +1 charged
 C                 -3.18123600   -0.72335800    0.72901900
 C                 -3.16711000    1.76523300    0.75262200
 C                 -3.04214800    1.76569300    3.55719800
 H                 -3.00143600    1.75936400    4.63776300
 C                 -3.13370600    0.54152800    1.45927700
 C                 -3.16681900    0.54167800   -1.41170800
 C                 -3.19735500   -0.72322800   -0.68084300
 C                 -3.12541100    0.57671400   -2.81779300
 H                 -3.10289500   -0.34079700   -3.38353700
 C                 -3.21456100   -1.95550900    1.40265300
 H                 -3.20682100   -1.98895300    2.48022600
 C                 -3.18415200    1.76538500   -0.70415500
 C                 -3.06005000    0.57625800    2.86394700
 H                 -3.02520200   -0.34137300    3.42891100
 C                 -3.27634500   -3.15575900    0.71973200
 H                 -3.31762100   -4.08474400    1.27110500
 C                 -3.12390000    1.76619900   -3.51104300
 H                 -3.10762800    1.76011200   -4.59224800
 C                 -3.15529300    2.96895300    1.48789300
 H                 -3.20016900    3.91750600    0.97741700
 C                 -3.09834900    2.97625200    2.86152000
 H                 -3.10435900    3.91498100    3.39777600
 C                 -3.16551800    2.97668200   -2.81396500
 H                 -3.18509600    3.91542400   -3.34986900
 C                 -3.29218600   -3.15566600   -0.67008600
 H                 -3.34605800   -4.08455700   -1.22051500
 C                 -3.24628500   -1.95529500   -1.35393000
 H                 -3.26340600   -1.98840000   -2.43138800
 C                 -3.19110100    2.96923200   -1.43946200
 H                 -3.22610000    3.91768000   -0.92803400
 C                  0.00196300   -2.28416100    0.72242600
 C                  0.02812300   -1.09051500    2.84313400
 H                  0.03627300   -0.17394100    3.41029400
 C                  0.00486600   -3.49133400    1.45970500
 H                 -0.00484600   -4.43952300    0.94780200
 C                 -0.04238600   -2.27945000   -3.53073000
 H                 -0.05321100   -2.27656800   -4.61214100
 C                  0.03075600   -2.28101000    3.53010500
 H                  0.04139900   -2.27860300    4.61151900
 C                  0.01441700   -1.05582500    1.43452000
 C                 -0.03662800   -3.49448700   -2.83148400
 H                 -0.04318300   -4.43179100   -3.37011700
 C                  0.01021800    0.19885600    0.70482200
 C                 -0.01319800   -2.28380600   -0.72308700
 C                 -0.01765800    1.43418600   -1.37454000
 H                 -0.03537500    1.47200200   -2.45112100
 C                  0.02506600    1.43353000    1.37535500
 H                  0.04300300    1.47089400    2.45194300
 C                  0.01903900   -3.49573200    2.83037300
 H                  0.02076000   -4.43326900    3.36863900
 C                 -0.00896700    0.19920800   -0.70449300
 C                 -0.00418200    2.64940900   -0.68809600
 H                 -0.01130700    3.57302100   -1.24809900
 C                 -0.03375500   -1.08925200   -2.84331600
 H                 -0.03761900   -0.17243300   -3.41014900
 C                 -0.01949500   -1.05515700   -1.43468700
 C                 -0.02234900   -3.49066800   -1.46081400
 H                 -0.01748100   -4.43907200   -0.94923800
 C                  0.01744700    2.64907000    0.68939100
 H                  0.02895200    3.57239200    1.24980600
 C                  3.11439600    2.96781300   -2.85865400
 H                  3.12537600    3.90710600   -3.39383900
 C                  3.05198000    1.75834200   -3.55573100
 H                  3.01129500    1.75344700   -4.63630200
 C                  3.13155700    1.75022400    3.51255200
 H                  3.11509200    1.74296100    4.59374600
 C                  3.23567700   -1.96925900    1.35114600
 H                  3.25206300   -2.00369300    2.42858500
 C                  3.17119000    2.95864100   -1.48504300
 H                  3.22135200    3.90635100   -0.97350600
 C                  3.16887300    0.52800700    1.41178100
 C                  3.12726900    0.56156500    2.81790200
 H                  3.10025700   -0.35649600    3.38256000
 C                  3.20521600    2.95538000    1.44240900
 H                  3.24479800    3.90426400    0.93212800
 C                  3.19274500    1.75244600    0.70567000
 C                  3.13691500    0.53131100   -1.45917800
 C                  3.17638000    1.75404600   -0.75112900
 C                  3.17922700    2.96131900    2.81690800
 H                  3.20316000    3.89932500    3.35392600
 C                  3.19346000   -0.73619200    0.67948200
 C                  3.06390400    0.56805400   -2.86385300
 H                  3.02467400   -0.34873400   -3.42987800
 C                  3.26071400   -3.16749500   -0.72387900
 H                  3.29751300   -4.09603700   -1.27630800
 C                  3.17782700   -0.73462700   -0.73037100
 C                  3.20531700   -1.96614200   -1.40543400
 H                  3.19793300   -1.99825900   -2.48304500
 C                  3.27581800   -3.16907400    0.66593600
 H                  3.32460400   -4.09884900    1.21534600

90
TP trimer neutral
 C                  2.99439000    0.80146700    1.32447100
 C                  3.05519800   -1.68509400    1.39105700
 C                  1.93388300   -1.67688400    3.96170200
 H                  1.49103400   -1.66550100    4.94879900
 C                  2.72602800   -0.46403300    2.01079100
 C                  3.74006700   -0.47747000   -0.67136700
 C                  3.52068400    0.79412800    0.01793300
 C                  4.10691000   -0.51715800   -2.02898300
 H                  4.20243400    0.39998000   -2.58842900
 C                  2.75913400    2.03930000    1.94802300
 H                  2.33347300    2.07886200    2.93834300
 C                  3.55919300   -1.69260000    0.01618300
 C                  2.15173000   -0.49266100    3.29409800
 H                  1.85881200    0.42578600    3.77688700
 C                  3.04995200    3.22955800    1.32095900
 H                  2.85229000    4.16488200    1.82724100
 C                  4.32731800   -1.70803100   -2.68408900
 H                  4.60734300   -1.70667200   -3.72899900
 C                  2.84033500   -2.88015500    2.10008300
 H                  3.09786500   -3.82843000    1.65547400
 C                  2.29561700   -2.88439500    3.36383500
 H                  2.14233300   -3.82100500    3.88285600
 C                  4.19013800   -2.91158700   -1.99038300
 H                  4.36996300   -3.85454800   -2.48900500
 C                  3.59456000    3.22027700    0.03688000
 H                  3.83331900    4.14855800   -0.46436400
 C                  3.82262100    2.02086600   -0.59814000
 H                  4.24857200    2.04149000   -1.58853200
 C                  3.80899300   -2.89551000   -0.66780700
 H                  3.68411100   -3.84127600   -0.16488000
 C                 -0.26339100    2.15205300    0.68631400
 C                 -1.00491300    0.96190500    2.65948800
 H                 -1.20181800    0.04021400    3.18326000
 C                 -0.50192800    3.35122800    1.38063100
 H                 -0.30569400    4.29991400    0.90667400
 C                  1.22262100    2.15440600   -3.31580200
 H                  1.59133900    2.14582800   -4.33319200
 C                 -1.22995700    2.14939200    3.32047900
 H                 -1.59760400    2.13932500    4.33823900
 C                 -0.52381700    0.93115100    1.33740800
 C                  0.96098400    3.36358400   -2.66899600
 H                  1.12725500    4.30436500   -3.17675600
 C                 -0.27311300   -0.33656500    0.65127000
 C                  0.25421500    2.15310700   -0.68233400
 C                  0.55445500   -1.56740400   -1.26386600
 H                  1.00185200   -1.60024100   -2.24436000
 C                 -0.55054100   -1.56959200    1.26703100
 H                 -0.99858000   -1.60411900    2.24716600
 C                 -0.97443800    3.35961700    2.67321500
 H                 -1.14473100    4.29972100    3.18089500
 C                  0.27355100   -0.33545900   -0.64751600
 C                  0.28559900   -2.76214100   -0.63648200
 H                  0.51489500   -3.69281500   -1.13809800
 C                  1.00251700    0.96602700   -2.65477700
 H                  1.20477900    0.04518700   -3.17799600
 C                  0.52018300    0.93329700   -1.33320800
 C                  0.48781500    3.35325400   -1.37667900
 H                  0.28707300    4.30110600   -0.90293800
 C                 -0.27826300   -2.76327100    0.63911700
 H                 -0.50510900   -3.69483800    1.14018100
 C                 -2.28259900   -2.88483600   -3.36805700
 H                 -2.12513600   -3.82026000   -3.88796800
 C                 -1.92533300   -1.67523300   -3.96439000
 H                 -1.48184900   -1.66103100   -4.95116600
 C                 -4.32092700   -1.72348600    2.68039400
 H                 -4.60093900   -1.72451100    3.72530900
 C                 -3.83006800    2.00977900    0.59913700
 H                 -4.25597100    2.02750900    1.58961300
 C                 -2.82814100   -2.88417800   -2.10466000
 H                 -3.08186300   -3.83399300   -1.66115000
 C                 -3.73792300   -0.48827700    0.66931900
 C                 -4.10458400   -0.53099300    2.02688300
 H                 -4.20294700    0.38510700    2.58754100
 C                 -3.79837400   -2.90649900    0.66256400
 H                 -3.67006400   -3.85116700    0.15843500
 C                 -3.55269300   -1.70183800   -0.01980700
 C                 -2.72362100   -0.46771100   -2.01269200
 C                 -3.04824600   -1.69076100   -1.39448300
 C                 -4.17962900   -2.92563500    1.98506600
 H                 -4.35623800   -3.86987200    2.48242200
 C                 -3.52334100    0.78497700   -0.01840900
 C                 -2.14836100   -0.49260900   -3.29565700
 H                 -1.85884600    0.42754000   -3.77727300
 C                 -3.06284100    3.22375200   -1.31882300
 H                 -2.86934500    4.16047000   -1.82414300
 C                 -2.99730100    0.79592500   -1.32503200
 C                 -2.76739600    2.03539000   -1.94732400
 H                 -2.34233400    2.07776200   -2.93777700
 C                 -3.60699500    3.21081200   -0.03457700
 H                 -3.84942200    4.13755400    0.46775900

120
TP tetramer +1 charged
 C                 -0.26629600    1.62901700    0.70516500
 C                  2.19956600    1.30997600    0.72442600
 C                  2.20089900    1.32582200    3.53134500
 H                  2.19791400    1.33768000    4.61285700
 C                  0.98299100    1.46644100    1.43431700
 C                  0.98299100    1.46644100   -1.43431700
 C                 -0.26629600    1.62901700   -0.70516500
 C                  1.01861300    1.46873100   -2.84169200
 H                  0.10981800    1.59286100   -3.40782800
 C                 -1.48853900    1.78848700    1.37761600
 H                 -1.52424400    1.79948300    2.45465900
 C                  2.19956600    1.30997600   -0.72442600
 C                  1.01861300    1.46873100    2.84169200
 H                  0.10981800    1.59286100    3.40782800
 C                 -2.68442100    1.96061700    0.69179500
 H                 -3.60034800    2.09799700    1.24854900
 C                  2.20089900    1.32582200   -3.53134500
 H                  2.19791400    1.33768000   -4.61285700
 C                  3.39689300    1.16280600    1.46087400
 H                  4.33800000    1.04914100    0.94798800
 C                  3.40433800    1.17066400    2.83310900
 H                  4.33638400    1.06249600    3.37027600
 C                  3.40433800    1.17066400   -2.83310900
 H                  4.33638400    1.06249600   -3.37027600
 C                 -2.68442100    1.96061700   -0.69179500
 H                 -3.60034800    2.09799700   -1.24854900
 C                 -1.48853900    1.78848700   -1.37761600
 H                 -1.52424400    1.79948300   -2.45465900
 C                  3.39689300    1.16280600   -1.46087400
 H                  4.33800000    1.04914100   -0.94798800
 C                 -2.19956600   -1.30997600    0.72442600
 C                 -1.01861300   -1.46873100    2.84169200
 H                 -0.10981800   -1.59286100    3.40782800
 C                 -3.39689300   -1.16280600    1.46087400
 H                 -4.33800000   -1.04914100    0.94798800
 C                 -2.20089900   -1.32582200   -3.53134500
 H                 -2.19791400   -1.33768000   -4.61285700
 C                 -2.20089900   -1.32582200    3.53134500
 H                 -2.19791400   -1.33768000    4.61285700
 C                 -0.98299100   -1.46644100    1.43431700
 C                 -3.40433800   -1.17066400   -2.83310900
 H                 -4.33638400   -1.06249600   -3.37027600
 C                  0.26629600   -1.62901700    0.70516500
 C                 -2.19956600   -1.30997600   -0.72442600
 C                  1.48853900   -1.78848700   -1.37761600
 H                  1.52424400   -1.79948300   -2.45465900
 C                  1.48853900   -1.78848700    1.37761600
 H                  1.52424400   -1.79948300    2.45465900
 C                 -3.40433800   -1.17066400    2.83310900
 H                 -4.33638400   -1.06249600    3.37027600
 C                  0.26629600   -1.62901700   -0.70516500
 C                  2.68442100   -1.96061700   -0.69179500
 H                  3.60034800   -2.09799700   -1.24854900
 C                 -1.01861300   -1.46873100   -2.84169200
 H                 -0.10981800   -1.59286100   -3.40782800
 C                 -0.98299100   -1.46644100   -1.43431700
 C                 -3.39689300   -1.16280600   -1.46087400
 H                 -4.33800000   -1.04914100   -0.94798800
 C                  2.68442100   -1.96061700    0.69179500
 H                  3.60034800   -2.09799700    1.24854900
 C                  2.49645000   -5.16224500   -2.83906000
 H                  3.42514200   -5.30401200   -3.37453000
 C                  1.31010000   -4.91972200   -3.53418000
 H                  1.31053700   -4.86782100   -4.61447000
 C                  1.31010000   -4.91972200    3.53418000
 H                  1.31053700   -4.86782100    4.61447000
 C                 -2.40174000   -4.58509100    1.37884100
 H                 -2.43453700   -4.59103100    2.45658900
 C                  2.47835700   -5.22687500   -1.46467400
 H                  3.40973800   -5.41314500   -0.95415800
 C                  0.08537300   -4.84723900    1.43508100
 C                  0.13053700   -4.76920600    2.83912300
 H                 -0.77197200   -4.59167900    3.40190500
 C                  2.47835700   -5.22687500    1.46467400
 H                  3.40973800   -5.41314500    0.95415800
 C                  1.28831800   -5.06013700    0.73082400
 C                  0.08537300   -4.84723900   -1.43508100
 C                  1.28831800   -5.06013700   -0.73082400
 C                  2.49645000   -5.16224500    2.83906000
 H                  3.42514200   -5.30401200    3.37453000
 C                 -1.17449700   -4.70947400    0.70468000
 C                  0.13053700   -4.76920600   -2.83912300
 H                 -0.77197200   -4.59167900   -3.40190500
 C                 -3.59442200   -4.46885400   -0.69659400
 H                 -4.52199000   -4.38765500   -1.24645500
 C                 -1.17449700   -4.70947400   -0.70468000
 C                 -2.40174000   -4.58509100   -1.37884100
 H                 -2.43453700   -4.59103100   -2.45658900
 C                 -3.59442200   -4.46885400    0.69659400
 H                 -4.52199000   -4.38765500    1.24645500
 C                 -1.28831800    5.06013700    0.73082400
 C                 -0.13053700    4.76920600    2.83912300
 H                  0.77197200    4.59167900    3.40190500
 C                 -2.47835700    5.22687500    1.46467400
 H                 -3.40973800    5.41314500    0.95415800
 C                 -1.31010000    4.91972200   -3.53418000
 H                 -1.31053700    4.86782100   -4.61447000
 C                 -1.31010000    4.91972200    3.53418000
 H                 -1.31053700    4.86782100    4.61447000
 C                 -0.08537300    4.84723900    1.43508100
 C                 -2.49645000    5.16224500   -2.83906000
 H                 -3.42514200    5.30401200   -3.37453000
 C                  1.17449700    4.70947400    0.70468000
 C                 -1.28831800    5.06013700   -0.73082400
 C                  2.40174000    4.58509100   -1.37884100
 H                  2.43453700    4.59103100   -2.45658900
 C                  2.40174000    4.58509100    1.37884100
 H                  2.43453700    4.59103100    2.45658900
 C                 -2.49645000    5.16224500    2.83906000
 H                 -3.42514200    5.30401200    3.37453000
 C                  1.17449700    4.70947400   -0.70468000
 C                  3.59442200    4.46885400   -0.69659400
 H                  4.52199000    4.38765500   -1.24645500
 C                 -0.13053700    4.76920600   -2.83912300
 H                  0.77197200    4.59167900   -3.40190500
 C                 -0.08537300    4.84723900   -1.43508100
 C                 -2.47835700    5.22687500   -1.46467400
 H                 -3.40973800    5.41314500   -0.95415800
 C                  3.59442200    4.46885400    0.69659400
 H                  4.52199000    4.38765500    1.24645500

120
TP tetramer neutral
 C                  1.66401900    0.46726800    0.25055000
 C                  1.36325600   -1.87692900    1.03189300
 C                  1.00233100   -0.98664000    3.66625900
 H                  0.85813800   -0.63349100    4.67923800
 C                  1.41317300   -0.49954800    1.32063200
 C                  1.75207000   -1.40809200   -1.37843000
 C                  1.83849000    0.02013300   -1.07469700
 C                  1.88176900   -1.88242800   -2.69766100
 H                  2.03448100   -1.18705100   -3.50758700
 C                  1.74537200    1.84606500    0.51323300
 H                  1.61142700    2.22199700    1.51522800
 C                  1.53403700   -2.33950100   -0.34577900
 C                  1.22452300   -0.08262100    2.65047100
 H                  1.24500200    0.96683700    2.89637600
 C                  1.99914200    2.75540500   -0.48796700
 H                  2.05866500    3.80899100   -0.24942900
 C                  1.81327600   -3.22519000   -2.99557600
 H                  1.91601700   -3.55789000   -4.01999200
 C                  1.13669200   -2.77940900    2.08541700
 H                  1.09459300   -3.83956900    1.89174400
 C                  0.96073700   -2.35169400    3.38172500
 H                  0.78687100   -3.07191200    4.17023600
 C                  1.61012500   -4.14946900   -1.96819700
 H                  1.55631000   -5.20780100   -2.18637300
 C                  2.18073600    2.31070000   -1.79732500
 H                  2.38603100    3.01374600   -2.59348500
 C                  2.09912000    0.96666500   -2.08019200
 H                  2.25005100    0.65451300   -3.10041100
 C                  1.47245800   -3.70607600   -0.67283500
 H                  1.31019000   -4.44052800    0.09994500
 C                 -1.46467100    2.18796400   -0.10876700
 C                 -1.80146400    1.72871300    2.24412200
 H                 -1.95614700    1.03301200    3.05333900
 C                 -1.36787500    3.55107200    0.22197000
 H                 -1.18641600    4.28378800   -0.54833400
 C                 -0.99984700    0.83510400   -4.13093100
 H                 -0.87987400    0.48330600   -5.14726200
 C                 -1.69978100    3.06925300    2.54476000
 H                 -1.78192000    3.39980100    3.57198800
 C                 -1.69501400    1.25782100    0.92251100
 C                 -0.96493000    2.20158200   -3.84698200
 H                 -0.81764300    2.92289400   -4.63984400
 C                 -1.79856300   -0.16902700    0.61625500
 C                 -1.31039100    1.72456500   -1.48804900
 C                 -1.65511700   -2.00034400   -0.96204200
 H                 -1.47846000   -2.37962200   -1.95583300
 C                 -2.09079400   -1.11270500    1.61624400
 H                 -2.28712900   -0.79609200    2.62816000
 C                 -1.48221200    3.99240200    1.52050200
 H                 -1.39879000    5.04805100    1.74243700
 C                 -1.59561500   -0.61996300   -0.70346200
 C                 -1.92963500   -2.90725700    0.03583900
 H                 -1.97048200   -3.96293500   -0.19748400
 C                 -1.19382400   -0.06869200   -3.10987200
 H                 -1.22037600   -1.11821800   -3.35569300
 C                 -1.35657300    0.34706100   -1.77526300
 C                 -1.11454600    2.62836200   -2.54729300
 H                 -1.08514400    3.68924200   -2.35531700
 C                 -2.15662200   -2.45832900    1.33646300
 H                 -2.38733000   -3.15819800    2.12853500
 C                 -5.07866500   -3.21007200   -1.98224600
 H                 -5.18576700   -4.25780400   -2.22912500
 C                 -4.70791200   -2.28727100   -2.96083800
 H                 -4.51669300   -2.61165000   -3.97514800
 C                 -5.35950600   -0.18385100    3.74822700
 H                 -5.36020800    0.13252300    4.78271300
 C                 -4.92261900    2.73205000    0.61506500
 H                 -5.08122900    3.08255200    1.62243600
 C                 -5.29441600   -2.78237300   -0.69208400
 H                 -5.56380100   -3.51889600    0.04837700
 C                 -5.14254400    0.36483300    1.39015200
 C                 -5.15284000    0.73800100    2.74646500
 H                 -4.97423500    1.76485500    3.02395900
 C                 -5.53758000   -1.91384000    2.09893200
 H                 -5.67366500   -2.96017100    1.87573900
 C                 -5.30719300   -0.99394900    1.06078100
 C                 -4.83389900   -0.49284800   -1.32770100
 C                 -5.16397200   -1.43001200   -0.32972900
 C                 -5.56962100   -1.52391200    3.41873100
 H                 -5.74386100   -2.25748500    4.19443500
 C                 -4.94047300    1.35533600    0.33289600
 C                 -4.59384000   -0.95481000   -2.63402300
 H                 -4.29779400   -0.26370900   -3.40689400
 C                 -4.51393400    3.24720700   -1.68895300
 H                 -4.33719400    3.96930100   -2.47486300
 C                 -4.76094700    0.93209500   -0.99841300
 C                 -4.53940000    1.90418700   -1.98933200
 H                 -4.37729900    1.61070400   -3.01453900
 C                 -4.71429800    3.66622100   -0.37376300
 H                 -4.70184400    4.71893100   -0.12553500
 C                  5.08417200    1.60321900    0.69841700
 C                  4.43416200    1.27023700    3.00705100
 H                  4.12311100    0.62165200    3.81071500
 C                  5.14777500    2.98181500    0.96691500
 H                  5.40587700    3.67570900    0.18267300
 C                  5.46023300    0.09703600   -3.27543000
 H                  5.51105000   -0.28669100   -4.28581200
 C                  4.48304900    2.62617600    3.24174000
 H                  4.23191600    3.01495400    4.21954700
 C                  4.75064900    0.72734800    1.74871200
 C                  5.68080800    1.45141900   -3.02205200
 H                  5.91367700    2.12981000   -3.83185400
 C                  4.71702100   -0.71630200    1.51546800
 C                  5.28353500    1.07774700   -0.65365800
 C                  4.81175300   -2.60910800    0.01067400
 H                  4.91247700   -3.02296000   -0.98032100
 C                  4.53924700   -1.62380800    2.57390600
 H                  4.44038900   -1.26541700    3.58608900
 C                  4.85977200    3.49082400    2.21291500
 H                  4.91246100    4.55735500    2.38584700
 C                  4.87036400   -1.21860100    0.20873700
 C                  4.62375500   -3.47945800    1.06021500
 H                  4.58013400   -4.54418600    0.87366200
 C                  5.18613200   -0.75657600   -2.23042800
 H                  5.00965500   -1.79667500   -2.45370800
 C                  5.11211000   -0.29751900   -0.90334900
 C                  5.58635600    1.92576000   -1.73353500
 H                  5.74332400    2.97991800   -1.56800500
 C                  4.49265700   -2.98178300    2.35677600
 H                  4.34901100   -3.65532300    3.19081700

150
TP pentamer +1 charged
 C                  0.00087400   -0.68284800    0.77235900
 C                  0.00053800    1.78843500    1.03795800
 C                  0.00101400    1.50643900    3.83155100
 H                  0.00104500    1.39429100    4.90727400
 C                  0.00097800    0.49618500    1.62299400
 C                 -0.00064700    0.78332500   -1.23132100
 C                 -0.00064000   -0.54242900   -0.63103900
 C                 -0.00090400    0.95846300   -2.62799400
 H                 -0.00120100    0.10259600   -3.28312900
 C                  0.00206300   -1.97674300    1.31832500
 H                  0.00339900   -2.12078600    2.38633800
 C                  0.00011100    1.93277800   -0.40231600
 C                  0.00111400    0.39091300    3.02739700
 H                  0.00107800   -0.57819900    3.49928800
 C                  0.00126200   -3.11201700    0.51542900
 H                  0.00198400   -4.08863100    0.97785700
 C                 -0.00058300    2.21199000   -3.19479200
 H                 -0.00075000    2.31547200   -4.27141900
 C                  0.00051100    2.91544300    1.89237000
 H                  0.00017200    3.90985400    1.47704600
 C                  0.00076000    2.78423300    3.25749700
 H                  0.00067500    3.66387800    3.88612900
 C                  0.00006100    3.34975200   -2.37936300
 H                  0.00034800    4.33686200   -2.82046400
 C                 -0.00093700   -2.97392400   -0.85921800
 H                 -0.00184100   -3.83895800   -1.50671200
 C                 -0.00201400   -1.70144600   -1.42172500
 H                 -0.00438100   -1.63189900   -2.49723100
 C                  0.00040900    3.20685600   -1.01488700
 H                  0.00101700    4.09868900   -0.40974500
 C                 -3.19859800   -2.16651200    0.61458000
 C                 -3.20604700   -1.18128600    2.83101700
 H                 -3.21510100   -0.32008700    3.47944200
 C                 -3.21509400   -3.43424600    1.23283900
 H                 -3.23182500   -4.32958300    0.63253800
 C                 -3.17065800   -1.76618000   -3.62782200
 H                 -3.16766000   -1.65779500   -4.70416100
 C                 -3.22352700   -2.43100300    3.40898000
 H                 -3.24216000   -2.52672500    4.48624500
 C                 -3.19327500   -1.01471800    1.43341500
 C                 -3.17516900   -3.03795100   -3.04789700
 H                 -3.17811300   -3.92246600   -3.67001600
 C                 -3.19161300    0.31219300    0.82657400
 C                 -3.19127300   -2.03009100   -0.83399700
 C                 -3.22623300    1.73494500   -1.13197000
 H                 -3.25775000    1.87169800   -2.20083900
 C                 -3.18787300    1.47594400    1.61364500
 H                 -3.17868500    1.41035600    2.68932000
 C                 -3.22832200   -3.57150100    2.60015200
 H                 -3.25060800   -4.55681700    3.04518900
 C                 -3.20293700    0.44443700   -0.57710200
 C                 -3.24017300    2.86723100   -0.33700200
 H                 -3.27838300    3.84287500   -0.80117900
 C                 -3.17720800   -0.64645700   -2.82590300
 H                 -3.18044300    0.32119300   -3.30111300
 C                 -3.19062200   -0.74515800   -1.42231800
 C                 -3.18501100   -3.15936900   -1.67883200
 H                 -3.19617200   -4.15186000   -1.25799500
 C                 -3.21953600    2.73692000    1.04509200
 H                 -3.23762800    3.60889200    1.68386700
 C                 -6.40836200    3.22730300   -2.72778700
 H                 -6.42601200    4.20809900   -3.18306900
 C                 -6.28309600    2.08360000   -3.51864100
 H                 -6.19580000    2.16862200   -4.59336200
 C                 -6.37894300    1.49074800    3.52145800
 H                 -6.32534000    1.39397200    4.59750800
 C                 -6.49050400   -2.04013400    1.06012900
 H                 -6.49896500   -2.16264700    2.13161900
 C                 -6.51079500    3.10193500   -1.36095800
 H                 -6.59636300    4.00306500   -0.77480500
 C                 -6.43983500    0.44797800    1.32653300
 C                 -6.35621900    0.36508100    2.72819400
 H                 -6.27071700   -0.59587400    3.21010100
 C                 -6.55589200    2.85503400    1.55989700
 H                 -6.63739600    3.84106000    1.13086000
 C                 -6.51603800    1.72111900    0.72801500
 C                 -6.41649600    0.68863800   -1.53192700
 C                 -6.50005900    1.84425000   -0.73010500
 C                 -6.49380600    2.75008100    2.93093000
 H                 -6.53569900    3.64039200    3.54344900
 C                 -6.45340900   -0.75465200    0.49223200
 C                 -6.29126300    0.84101100   -2.92497000
 H                 -6.19376400   -0.02695400   -3.55755000
 C                 -6.53704900   -3.05634700   -1.11018600
 H                 -6.58189900   -3.93737200   -1.73580000
 C                 -6.45173900   -0.63606300   -0.91197200
 C                 -6.49769300   -1.80682000   -1.68896000
 H                 -6.51761700   -1.74539500   -2.76534400
 C                 -6.53124100   -3.17428100    0.27899200
 H                 -6.56961300   -4.14817700    0.74778900
 C                  6.49870200    1.84462600   -0.73369400
 C                  6.28868600    0.84047700   -2.92802200
 H                  6.19142300   -0.02776500   -3.56025900
 C                  6.50775800    3.10211000   -1.36499400
 H                  6.59292400    4.00352000   -0.77921000
 C                  6.38311800    1.49272600    3.51813900
 H                  6.33107300    1.39634200    4.59429900
 C                  6.27914700    2.08284600   -3.52213800
 H                  6.19097300    2.16741300   -4.59682100
 C                  6.41513300    0.68867500   -1.53502800
 C                  6.49715500    2.75184400    2.92698300
 H                  6.53990100    3.64238500    3.53910500
 C                  6.45119200   -0.63577600   -0.91460700
 C                  6.51643500    1.72203700    0.72444000
 C                  6.49060400   -2.03913600    1.05795500
 H                  6.49908000   -2.16140900    2.12946800
 C                  6.49681800   -1.80680000   -1.69121300
 H                  6.51656000   -1.74574800   -2.76762400
 C                  6.40405100    3.22692700   -2.73178000
 H                  6.42043300    4.20758900   -3.18739800
 C                  6.45364200   -0.75383100    0.48964700
 C                  6.53083200   -3.17356000    0.27718800
 H                  6.56907500   -4.14729700    0.74632600
 C                  6.35937300    0.36675300    2.72534600
 H                  6.27480700   -0.59402000    3.20777800
 C                  6.44102700    0.44910900    1.32352400
 C                  6.55741400    2.85626700    1.55583400
 H                  6.63846900    3.84212200    1.12631900
 C                  6.53630100   -3.05612800   -1.11202300
 H                  6.58086200   -3.93737600   -1.73734000
 C                  3.23117700   -3.57130900    2.60431300
 H                  3.25434300   -4.55638800    3.04982800
 C                  3.22646300   -2.43039800    3.41261800
 H                  3.24603000   -2.52559300    4.48990900
 C                  3.16752800   -1.76907500   -3.62442900
 H                  3.16361600   -1.66119600   -4.70081700
 C                  3.22549200    1.73323200   -1.13037600
 H                  3.25633500    1.86943800   -2.19933600
 C                  3.21669400   -3.43474900    1.23695800
 H                  3.23367600   -4.33035900    0.63708900
 C                  3.18933000   -0.74698900   -1.41946500
 C                  3.17468000   -0.64895700   -2.82306300
 H                  3.17726200    0.31845100   -3.29876700
 C                  3.18331200   -3.16130100   -1.67480200
 H                  3.19444400   -4.15359900   -1.25350400
 C                  3.19051100   -2.03161600   -0.83054500
 C                  3.19433300   -1.01507300    1.43638200
 C                  3.19923100   -2.16731400    0.61808100
 C                  3.17239200   -3.04055000   -3.04393500
 H                  3.17471500   -3.92536400   -3.66562900
 C                  3.20247500    0.44304400   -0.57484500
 C                  3.20802000   -1.18099000    2.83407100
 H                  3.21695400   -0.31948200    3.48208100
 C                  3.22072800    2.73636400    1.04619300
 H                  3.23951900    3.60865200    1.68450900
 C                  3.19222700    0.31150100    0.82890700
 C                  3.18929900    1.47567000    1.61540400
 H                  3.18098600    1.41062900    2.69111400
 C                  3.24036100    2.86594100   -0.33596200
 H                  3.27871400    3.84130200   -0.80070900

150
TP pentamer neutral
 C                 -0.14857600   -0.88920800    0.73096200
 C                 -0.13623000    1.54043800    1.26801600
 C                 -0.48807200    0.97098900    3.99318100
 H                 -0.61995700    0.74234500    5.04269700
 C                 -0.24328400    0.20426100    1.69839400
 C                  0.18790900    0.78427800   -1.07726100
 C                  0.10114100   -0.60530600   -0.62688900
 C                  0.37139700    1.10039400   -2.43608100
 H                  0.46560800    0.31262200   -3.16618300
 C                 -0.28478400   -2.23085100    1.12713100
 H                 -0.51039500   -2.47915800    2.15201600
 C                  0.06275400    1.83675700   -0.15092800
 C                 -0.41766000   -0.05003700    3.07135900
 H                 -0.49469800   -1.06511500    3.42691900
 C                 -0.15408200   -3.26293700    0.22631800
 H                 -0.26611400   -4.28480200    0.56380400
 C                  0.43111000    2.40493500   -2.87346700
 H                  0.57148000    2.61518100   -3.92569500
 C                 -0.21104900    2.56549900    2.22739500
 H                 -0.12384400    3.59709800    1.92514900
 C                 -0.38153200    2.29577400    3.56606200
 H                 -0.43240200    3.10774000    4.27939800
 C                  0.30427100    3.44837200   -1.95490300
 H                  0.34626400    4.47786500   -2.28511400
 C                  0.12039100   -2.98309300   -1.11170500
 H                  0.23682400   -3.78419800   -1.82958000
 C                  0.24399900   -1.67650300   -1.52544400
 H                  0.46673600   -1.49402800   -2.56459100
 C                  0.12609000    3.16031100   -0.62127300
 H                  0.02320300    3.98461900    0.06656700
 C                 -3.49337400   -2.21435000    0.54920300
 C                 -3.72382900   -1.50065200    2.85106800
 H                 -3.76264800   -0.71983700    3.59375900
 C                 -3.60445900   -3.54105600    1.00290800
 H                 -3.55705800   -4.35844600    0.30099500
 C                 -2.84121900   -1.32006900   -3.57197100
 H                 -2.66031600   -1.08447900   -4.61280700
 C                 -3.82357400   -2.80747300    3.27370100
 H                 -3.94249500   -3.02795000    4.32627200
 C                 -3.56671400   -1.17109200    1.49138300
 C                 -2.98096700   -2.64615800   -3.16208800
 H                 -2.91454200   -3.45271200   -3.88026300
 C                 -3.47832100    0.22202500    1.05450400
 C                 -3.28648200   -1.90753800   -0.86647400
 C                 -3.18409700    1.86532200   -0.69954800
 H                 -3.02223100    2.12618900   -1.73339600
 C                 -3.60651300    1.28348500    1.96638500
 H                 -3.78283700    1.08926500    3.01153500
 C                 -3.76900100   -3.84109900    2.33576500
 H                 -3.84943100   -4.87264900    2.65210600
 C                 -3.26921300    0.51788200   -0.30754800
 C                 -3.30951700    2.88891600    0.21162000
 H                 -3.24419800    3.91475300   -0.12582100
 C                 -2.92858800   -0.30472600   -2.64473100
 H                 -2.80684700    0.71054800   -2.98627800
 C                 -3.15714200   -0.56833500   -1.28235100
 C                 -3.19611100   -2.92528900   -1.83167100
 H                 -3.29354200   -3.95915900   -1.54038800
 C                 -3.52610700    2.59480100    1.55752600
 H                 -3.63277500    3.38937800    2.28388900
 C                 -6.08840500    3.75932900   -2.48904000
 H                 -6.01003100    4.80672000   -2.74795800
 C                 -5.82775300    2.77455200   -3.44310300
 H                 -5.53551500    3.04911100   -4.44784700
 C                 -7.03425200    0.91878100    3.25772700
 H                 -7.11578600    0.62679600    4.29638500
 C                 -6.77874500   -2.10191100    0.19899500
 H                 -6.91738700   -2.41920400    1.22059900
 C                 -6.42756300    3.39221700   -1.20649400
 H                 -6.59150400    4.17391400   -0.48173000
 C                 -6.77282800    0.29466300    0.92410400
 C                 -6.88227600   -0.04340300    2.28465400
 H                 -6.83031400   -1.07585600    2.59160000
 C                 -6.95904200    2.61897600    1.57223500
 H                 -6.98750600    3.66762900    1.32159100
 C                 -6.77811400    1.65596000    0.56390700
 C                 -6.31966200    1.05050700   -1.80264900
 C                 -6.53231300    2.04258500   -0.82686900
 C                 -7.09177900    2.26521700    2.89564100
 H                 -7.22751800    3.03010300    3.64848200
 C                 -6.66378400   -0.73548300   -0.11041300
 C                 -5.94596800    1.44637800   -3.09951700
 H                 -5.72073500    0.70119400   -3.84614100
 C                 -6.54244900   -2.69747900   -2.11070000
 H                 -6.49714300   -3.44796700   -2.88826600
 C                 -6.46587500   -0.36241500   -1.45383500
 C                 -6.41954600   -1.36629000   -2.43644800
 H                 -6.29111100   -1.10486800   -3.47468200
 C                 -6.71718900   -3.06973400   -0.77769300
 H                 -6.80649400   -4.11316200   -0.50620300
 C                  6.80002400    1.90423000   -0.30962500
 C                  6.86525000    1.19806700   -2.62522700
 H                  6.82436000    0.41995900   -3.37103200
 C                  6.89109000    3.23169200   -0.76423800
 H                  6.88538500    4.04782300   -0.05923200
 C                  6.06614500    1.00774900    3.79679200
 H                  5.84026000    0.77500000    4.82897700
 C                  6.93250900    2.50667400   -3.04837400
 H                  6.96438400    2.73221100   -4.10592200
 C                  6.81987800    0.86507900   -1.25919200
 C                  6.29657100    2.32652200    3.40416400
 H                  6.25921500    3.12887700    4.12873500
 C                  6.76878700   -0.52929800   -0.81994800
 C                  6.61237700    1.59267600    1.10886800
 C                  6.47178700   -2.17667000    0.92729100
 H                  6.28061800   -2.43759800    1.95631400
 C                  6.94019600   -1.58830800   -1.72787000
 H                  7.13679400   -1.38568700   -2.76860500
 C                  6.96162900    3.53515900   -2.10507400
 H                  7.02556300    4.56737400   -2.42233600
 C                  6.54624300   -0.82790600    0.53836400
 C                  6.62971700   -3.19872300    0.01892700
 H                  6.56225100   -4.22620600    0.35062200
 C                  6.13459900   -0.00350400    2.86510700
 H                  5.94318300   -1.01274000    3.19285700
 C                  6.42454700    0.25717100    1.51405200
 C                  6.55741000    2.60600100    2.08208700
 H                  6.71421900    3.63581500    1.80246500
 C                  6.87368800   -2.90158600   -1.32180700
 H                  7.00551600   -3.69561900   -2.04438800
 C                  2.99431500   -3.79000700    2.17821300
 H                  2.95606700   -4.81831500    2.51247700
 C                  2.84229600   -2.74356700    3.08966600
 H                  2.68408100   -2.95034200    4.14001300
 C                  3.77220200   -1.33003300   -3.77943400
 H                  3.88742100   -1.10434600   -4.83155500
 C                  3.58619500    1.87943700   -0.92196300
 H                  3.81090500    2.12383100   -1.94795000
 C                  3.18640400   -3.50623000    0.84555100
 H                  3.30130900   -4.33277600    0.16224900
 C                  3.53256400   -0.55668900   -1.48635700
 C                  3.68782400   -0.30573100   -2.86209000
 H                  3.73457300    0.70930000   -3.22304400
 C                  3.54052900   -2.92079000   -2.00342300
 H                  3.47532400   -3.95247300   -1.69589200
 C                  3.44766600   -1.89238300   -1.04925000
 C                  3.10096200   -1.12839000    1.29026300
 C                  3.24416100   -2.18413400    0.37003800
 C                  3.69987500   -2.65448700   -3.34435500
 H                  3.76423300   -3.46890700   -4.05375400
 C                  3.44019000    0.53968500   -0.52229800
 C                  2.89639000   -1.44049400    2.64720800
 H                  2.77595300   -0.65072800    3.37123100
 C                  3.20421400    2.63822200    1.31891500
 H                  3.10351500    3.44125100    2.03692800
 C                  3.19345600    0.25983400    0.83670100
 C                  3.06824400    1.33362900    1.73495900
 H                  2.85371600    1.15489500    2.77639700
 C                  3.47157100    2.91368000   -0.02161200
 H                  3.59323100    3.93375400   -0.36085700

180
TP hexamer +1 charged
 C                  1.52650700   -0.54772600    0.81319700
 C                  1.65511400    1.93535700    0.78613000
 C                  1.56203300    1.99309700    3.59121200
 H                  1.53316000    2.00972600    4.67231100
 C                  1.56077500    0.72692400    1.51759600
 C                  1.69367300    0.66558500   -1.34728600
 C                  1.60736500   -0.57865500   -0.59442600
 C                  1.75384900    0.67043900   -2.75347800
 H                  1.74640900   -0.25843200   -3.30025700
 C                  1.41727000   -1.76276500    1.50800200
 H                  1.34356200   -1.77469700    2.58314900
 C                  1.71227200    1.90490000   -0.66316700
 C                  1.51780500    0.79054100    2.92307600
 H                  1.45737600   -0.11460900    3.50546300
 C                  1.41219700   -2.98290800    0.84790400
 H                  1.33840200   -3.89655100    1.42044000
 C                  1.83117200    1.84512100   -3.46661400
 H                  1.88065100    1.81673000   -4.54675900
 C                  1.69690000    3.15377300    1.49904700
 H                  1.77738800    4.08882800    0.96900700
 C                  1.65213600    3.18916100    2.87078100
 H                  1.69286500    4.13701600    3.38954900
 C                  1.84972100    3.07140900   -2.79343700
 H                  1.91445900    3.99761000   -3.34767900
 C                  1.50284200   -3.01421400   -0.53376600
 H                  1.50993800   -3.95322900   -1.06906600
 C                  1.59764900   -1.82471100   -1.24144900
 H                  1.67801400   -1.88594400   -2.31464100
 C                  1.79230000    3.09358800   -1.42194800
 H                  1.81346800    4.05120900   -0.92754700
 C                  4.71715400   -2.14257000    0.79112200
 C                  4.65533800   -0.95585400    2.90141400
 H                  4.66010300   -0.03704500    3.46560800
 C                  4.65350900   -3.34490100    1.52134500
 H                  4.66359400   -4.29270600    1.00726100
 C                  4.84860600   -2.13862200   -3.47269100
 H                  4.88247800   -2.13036900   -4.55401700
 C                  4.59040900   -2.14530100    3.59367600
 H                  4.54813700   -2.13902000    4.67465500
 C                  4.72371800   -0.92180500    1.49639600
 C                  4.78017400   -3.34901800   -2.77828300
 H                  4.76341800   -4.28771900   -3.31530600
 C                  4.81450400    0.34405400    0.77172900
 C                  4.77230000   -2.14144400   -0.66711200
 C                  5.00101800    1.57500600   -1.30624900
 H                  5.08497500    1.60816200   -2.38058400
 C                  4.84995400    1.57468300    1.44908700
 H                  4.80793000    1.60886800    2.52561400
 C                  4.59380800   -3.35502600    2.89550100
 H                  4.55573900   -4.29516300    3.42892400
 C                  4.88684300    0.34413600   -0.63632100
 C                  5.04144000    2.77092200   -0.61895600
 H                  5.15060400    3.69764900   -1.16543100
 C                  4.88148400   -0.95098000   -2.77521600
 H                  4.94039200   -0.03187300   -3.33572300
 C                  4.84793900   -0.91957200   -1.36866900
 C                  4.74406000   -3.34172100   -1.40343900
 H                  4.69868700   -4.29016100   -0.89250000
 C                  4.96543300    2.77060600    0.77050600
 H                  5.00992900    3.69728400    1.32612100
 C                  8.31728900    2.78861200   -2.86960500
 H                  8.39911900    3.72960900   -3.39647500
 C                  8.15631700    1.59547300   -3.57607300
 H                  8.10444900    1.60211900   -4.65650300
 C                  7.96080500    1.54156500    3.48392600
 H                  7.85251800    1.53100200    4.56025000
 C                  8.02026700   -2.17127800    1.30240900
 H                  7.99077900   -2.21116100    2.38005300
 C                  8.37032100    2.76360400   -1.49434900
 H                  8.48235400    3.70164000   -0.97433100
 C                  8.06632800    0.33069800    1.37904000
 C                  7.91747400    0.36024700    2.77731700
 H                  7.75848500   -0.55550900    3.32420300
 C                  8.29167900    2.74044200    1.43623800
 H                  8.43834900    3.68557100    0.93801000
 C                  8.22893300    1.54913300    0.69120600
 C                  8.15738500    0.35240400   -1.48684900
 C                  8.27363700    1.56037200   -0.77182100
 C                  8.16574100    2.74460000    2.80700600
 H                  8.22465500    3.67676000    3.35235500
 C                  8.05615200   -0.93228300    0.63907200
 C                  8.08262300    0.40332500   -2.89080600
 H                  7.95948900   -0.50514700   -3.45885200
 C                  8.09366700   -3.35031800   -0.78289400
 H                  8.11879200   -4.27787400   -1.33858000
 C                  8.10909500   -0.92149300   -0.76873900
 C                  8.13096800   -2.14878100   -1.45418400
 H                  8.19103600   -2.16982100   -2.53064200
 C                  8.03591400   -3.36173500    0.61076800
 H                  8.01548800   -4.29814200    1.15174300
 C                 -8.04875700    0.92563200   -0.83111600
 C                 -8.21682300   -1.55604200   -0.85078700
 C                 -7.91319100   -1.58690300   -3.64035200
 H                 -7.79169500   -1.59142600   -4.71525300
 C                 -8.05053600   -0.34708300   -1.55402100
 C                 -8.16245100   -0.33032900    1.31178200
 C                 -8.10307200    0.93377500    0.57677300
 C                 -8.10569700   -0.36312200    2.71698500
 H                 -7.98614600    0.55201000    3.27494400
 C                 -8.01205000    2.15488900   -1.51231400
 H                 -7.98525600    2.17903500   -2.59019900
 C                 -8.27634100   -1.54723400    0.61175800
 C                 -7.88510400   -0.39558100   -2.95005900
 H                 -7.72632600    0.51385000   -3.50752500
 C                 -8.02527700    3.35480700   -0.83701700
 H                 -8.00373600    4.28367100   -1.39071100
 C                 -8.19345300   -1.54609700    3.41667800
 H                 -8.15601700   -1.53849500    4.49774800
 C                 -8.26453400   -2.75807800   -1.57959600
 H                 -8.41150700   -3.69693100   -1.06981800
 C                 -8.11992500   -2.78121000   -2.94830100
 H                 -8.16633400   -3.72148500   -3.48076600
 C                 -8.35192700   -2.74777300    2.72438900
 H                 -8.44572200   -3.68126700    3.26248900
 C                 -8.07909500    3.36274800    0.55690300
 H                 -8.09967300    4.29784900    1.10000600
 C                 -8.11872900    2.17067900    1.24491300
 H                 -8.17116700    2.20735500    2.32144500
 C                 -8.38808600   -2.74033400    1.34838600
 H                 -8.50108200   -3.68418800    0.83912800
 C                 -4.70982800    2.13059400   -0.77589200
 C                 -4.64823200    0.91416200   -2.87009700
 H                 -4.65650100   -0.01205400   -3.42180600
 C                 -4.62844700    3.32216600   -1.52225100
 H                 -4.62756300    4.27690400   -1.02108600
 C                 -4.87924000    2.18879300    3.48569700
 H                 -4.92488500    2.19646900    4.56654000
 C                 -4.56923000    2.09364800   -3.57795400
 H                 -4.52311100    2.07231300   -4.65861000
 C                 -4.72287600    0.90017800   -1.46511200
 C                 -4.81034800    3.38928000    2.77389000
 H                 -4.80548400    4.33591700    3.29699700
 C                 -4.82060500   -0.35458800   -0.72244500
 C                 -4.77422800    2.15041200    0.68120400
 C                 -4.98818900   -1.55662200    1.37372200
 H                 -5.05712400   -1.57536800    2.44926200
 C                 -4.86441600   -1.59413000   -1.38291600
 H                 -4.83507500   -1.64283000   -2.45936400
 C                 -4.56143400    3.31268300   -2.89599200
 H                 -4.50924100    4.24489600   -3.44194700
 C                 -4.88404700   -0.33522800    0.68591900
 C                 -5.03563700   -2.76214100    0.70331200
 H                 -5.13622600   -3.68105300    1.26442700
 C                 -4.89927500    0.99097200    2.80554200
 H                 -4.95938500    0.08003100    3.37907400
 C                 -4.85107400    0.93879200    1.40000200
 C                 -4.75881700    3.36177000    1.39997700
 H                 -4.71563100    4.30277800    0.87541600
 C                 -4.97384700   -2.78101200   -0.68668600
 H                 -5.02459700   -3.71499900   -1.22934100
 C                 -1.87122800   -3.04919800    2.95512500
 H                 -1.94127300   -3.97058900    3.51668000
 C                 -1.85080100   -1.81730800    3.61903800
 H                 -1.90453600   -1.78051000    4.69869700
 C                 -1.55550800   -2.02359700   -3.43633900
 H                 -1.52110100   -2.04929200   -4.51711300
 C                 -1.43585100    1.74986500   -1.38368600
 H                 -1.37459600    1.75433000   -2.45967000
 C                 -1.80877300   -3.08291400    1.58441200
 H                 -1.83281700   -4.04443900    1.09787500
 C                 -1.56821500   -0.74029400   -1.37370800
 C                 -1.51845100   -0.81526800   -2.77830300
 H                 -1.45792400    0.08522500   -3.36783000
 C                 -1.69289000   -3.16719500   -1.33514000
 H                 -1.76757200   -4.09846400   -0.79768900
 C                 -1.66086800   -1.94260200   -0.63286200
 C                 -1.70062200   -0.65546000    1.49071400
 C                 -1.72187900   -1.90041600    0.81600800
 C                 -1.64298000   -3.21380900   -2.70649800
 H                 -1.67553000   -4.16625500   -3.21735200
 C                 -1.53708200    0.54024700   -0.67939700
 C                 -1.76660600   -0.64902000    2.89713200
 H                 -1.75803300    0.28426800    3.43634800
 C                 -1.49992900    3.01765000    0.64873700
 H                 -1.49771000    3.96004700    1.17796200
 C                 -1.60966500    0.58201100    0.72858400
 C                 -1.58773800    1.83308300    1.36625600
 H                 -1.65085000    1.90215100    2.44003900
 C                 -1.42440800    2.97587200   -0.73268300
 H                 -1.35909500    3.88464700   -1.31396600

180
TP hexamer neutral
 C                  1.48811200   -0.59003400    0.75465300
 C                  1.61573100    1.89208900    0.63626600
 C                  1.07085700    2.08216900    3.38218500
 H                  0.85993200    2.14628900    4.44163700
 C                  1.40091200    0.72416000    1.39223000
 C                  2.00994200    0.52792900   -1.40398800
 C                  1.82332100   -0.68734600   -0.61088000
 C                  2.27067300    0.46429300   -2.78528900
 H                  2.34547000   -0.49224500   -3.27725000
 C                  1.26384700   -1.77208600    1.48099000
 H                  0.97466600   -1.73082900    2.51896500
 C                  1.90723800    1.79259900   -0.79421200
 C                  1.12846000    0.85136100    2.76696200
 H                  0.95875600   -0.02769800    3.36778500
 C                  1.38852200   -3.01074800    0.89444800
 H                  1.20874300   -3.90112300    1.48232000
 C                  2.43051600    1.60234100   -3.54441300
 H                  2.62833400    1.51995500   -4.60515400
 C                  1.55126600    3.13720400    1.28631900
 H                  1.71972200    4.04668200    0.73157100
 C                  1.28831700    3.23987700    2.63312300
 H                  1.24778600    4.21330200    3.10377200
 C                  2.33064300    2.85620700   -2.93911800
 H                  2.45288400    3.75862300   -3.52341900
 C                  1.74474900   -3.10740300   -0.44995300
 H                  1.85774300   -4.07440000   -0.92201300
 C                  1.95680700   -1.96330300   -1.18468400
 H                  2.24567800   -2.07171000   -2.21798400
 C                  2.07580000    2.93978300   -1.58935300
 H                  1.99588000    3.92061100   -1.14802300
 C                  4.82807400   -2.06143400    0.96365700
 C                  4.38604900   -0.72567400    2.93348000
 H                  4.25837500    0.23233000    3.41147700
 C                  4.67960100   -3.20581400    1.76719800
 H                  4.79421800   -4.18808400    1.33672300
 C                  5.59023700   -2.36299800   -3.22622400
 H                  5.76173100   -2.42991700   -4.29266000
 C                  4.24080500   -1.86067000    3.69969800
 H                  4.00837200   -1.77417400    4.75300900
 C                  4.68781600   -0.79422600    1.56060000
 C                  5.43120200   -3.52023700   -2.46192600
 H                  5.48423300   -4.49587000   -2.92670800
 C                  4.88332200    0.41842600    0.76523500
 C                  5.11672400   -2.16609200   -0.46713600
 C                  5.46171900    1.49432100   -1.32707600
 H                  5.75528400    1.44729800   -2.36365700
 C                  4.77728300    1.69633900    1.34047600
 H                  4.50130300    1.80941100    2.37663800
 C                  4.39705500   -3.11685300    3.11097100
 H                  4.28995200   -4.01672400    3.70204000
 C                  5.21508400    0.31662200   -0.60061600
 C                  5.36337900    2.73447700   -0.73882600
 H                  5.56420400    3.62143000   -1.32486000
 C                  5.51835600   -1.12909400   -2.61775000
 H                  5.62893900   -0.24887900   -3.23079100
 C                  5.29114700   -0.99920900   -1.23527900
 C                  5.19862800   -3.41402300   -1.10942900
 H                  5.06450200   -4.32324900   -0.54496600
 C                  5.01181000    2.83662500    0.60658100
 H                  4.92364100    3.80496500    1.08105000
 C                  8.97672400    2.66567700   -2.67859900
 H                  9.11313700    3.57908100   -3.24188400
 C                  8.93642800    1.43253800   -3.33141800
 H                  9.03242800    1.37896400   -4.40760900
 C                  7.64371000    1.76926500    3.60102900
 H                  7.34964200    1.81784500    4.64110200
 C                  8.02881900   -2.05667500    1.66429500
 H                  7.77880600   -2.03757800    2.71339400
 C                  8.82424200    2.71787500   -1.31146100
 H                  8.82953500    3.68640700   -0.83700300
 C                  8.07892700    0.44611300    1.61060500
 C                  7.70299400    0.55159700    2.96149000
 H                  7.43434300   -0.33126300    3.51921500
 C                  8.31509700    2.85444500    1.57418900
 H                  8.54497400    3.77117700    1.05447000
 C                  8.36208600    1.62476400    0.89394800
 C                  8.64459800    0.30851100   -1.19599600
 C                  8.63712100    1.55553500   -0.54273300
 C                  7.97063300    2.93300900    2.90427600
 H                  7.94180900    3.89461000    3.39891400
 C                  8.19144200   -0.85633900    0.95103500
 C                  8.77562500    0.27936000   -2.59634500
 H                  8.72901700   -0.66109800   -3.12236100
 C                  8.49562300   -3.34795800   -0.30038700
 H                  8.61794300   -4.30495500   -0.78945800
 C                  8.49487700   -0.92401500   -0.42262900
 C                  8.65107100   -2.18599700   -1.02115100
 H                  8.90573200   -2.26433400   -2.06607200
 C                  8.17503200   -3.28248500    1.05550500
 H                  8.03961100   -4.18757200    1.63239800
 C                 -8.19047300    0.85221100   -0.95289400
 C                 -8.36172400   -1.62873700   -0.89091200
 C                 -7.64350600   -1.77879900   -3.59772600
 H                 -7.34960000   -1.82950700   -4.63774300
 C                 -8.07822800   -0.45158100   -1.60987500
 C                 -8.64549900   -0.30816500    1.19616200
 C                 -8.49516200    0.92275500    0.42035700
 C                 -8.77761300   -0.27609700    2.59634700
 H                 -8.73206300    0.66550600    3.12039500
 C                 -8.02620300    2.05105500   -1.66825800
 H                 -7.77457800    2.02980300   -2.71693000
 C                 -8.63708100   -1.55657900    0.54556600
 C                 -7.70245000   -0.55985400   -2.96059600
 H                 -7.43373500    0.32181800   -3.52016100
 C                 -8.17246600    3.27814700   -1.06205600
 H                 -8.03556000    4.18199500   -1.64053100
 C                 -8.93821300   -1.42778400    3.33379800
 H                 -9.03507800   -1.37192600    4.40979500
 C                 -8.31514500   -2.85977000   -1.56874000
 H                 -8.54560600   -3.77537400   -1.04728900
 C                 -7.97071300   -2.94107500   -2.89866800
 H                 -7.94230500   -3.90364500   -3.39144000
 C                 -8.97708300   -2.66237000    2.68363600
 H                 -9.11307200   -3.57466700    3.24881300
 C                 -8.49465600    3.34646000    0.29330600
 H                 -8.61698900    4.30447000    0.78038500
 C                 -8.65141600    2.18599200    1.01619900
 H                 -8.90685700    2.26654300    2.06075900
 C                 -8.82372700   -2.71739800    1.31670600
 H                 -8.82782000   -3.68697400    0.84437800
 C                 -4.82717200    2.06297400   -0.96390800
 C                 -4.38736000    0.72675100   -2.93389600
 H                 -4.26098400   -0.23136500   -3.41200900
 C                 -4.67747000    3.20718900   -1.76743200
 H                 -4.79047500    4.18959900   -1.33685600
 C                 -5.59359100    2.36550400    3.22513600
 H                 -5.76673900    2.43267300    4.29129000
 C                 -4.24144400    1.86160000   -3.70022900
 H                 -4.00991200    1.77484100   -4.75371600
 C                 -4.68806200    0.79560700   -1.56080400
 C                 -5.43297900    3.52254900    2.46087100
 H                 -5.48624900    4.49828600    2.92540800
 C                 -4.88348400   -0.41686800   -0.76516800
 C                 -5.11657300    2.16791000    0.46670600
 C                 -5.46170200   -1.49242400    1.32735200
 H                 -5.75521200   -1.44530500    2.36394200
 C                 -4.77669500   -1.69491700   -1.34000700
 H                 -4.50010900   -1.80818000   -2.37598900
 C                 -4.39563000    3.11794600   -3.11134100
 H                 -4.28760300    4.01771100   -3.70240200
 C                 -5.21557900   -0.31478900    0.60057400
 C                 -5.36266100   -2.73269900    0.73948600
 H                 -5.56293800   -3.61959700    1.32579500
 C                 -5.52135500    1.13147400    2.61698300
 H                 -5.63349000    0.25146700    3.23002400
 C                 -5.29224100    1.00120900    1.23485000
 C                 -5.19873400    3.41598900    1.10870000
 H                 -5.06374500    4.32507100    0.54421300
 C                 -5.01085800   -2.83508800   -0.60584600
 H                 -4.92202400   -3.80352600   -1.07998300
 C                 -2.33020900   -2.85540400    2.93892500
 H                 -2.45202800   -3.75784200    3.52327800
 C                 -2.43116800   -1.60154000    3.54404500
 H                 -2.62955900   -1.51917100    4.60467900
 C                 -1.07170300   -2.08116500   -3.38261700
 H                 -0.86138200   -2.14523400   -4.44219200
 C                 -1.26320700    1.77294600   -1.48101900
 H                 -0.97366800    1.73167700   -2.51889900
 C                 -2.07494700   -2.93893400    1.58924000
 H                 -1.99425700   -3.91974500    1.14801400
 C                 -1.40116700   -0.72323400   -1.39251800
 C                 -1.12942500   -0.85036100   -2.76739000
 H                 -0.96064300    0.02876600   -3.36836600
 C                 -1.55078900   -3.13630600   -1.28649600
 H                 -1.71877300   -4.04582900   -0.73168000
 C                 -1.61542900   -1.89119700   -0.63645600
 C                 -2.01028600   -0.52706000    1.40370300
 C                 -1.90686400   -1.79172400    0.79404000
 C                 -1.28835100   -3.23892500   -2.63341000
 H                 -1.24769500   -4.21235000   -3.10404500
 C                 -1.48816100    0.59092700   -0.75486500
 C                 -2.27171400   -0.46347100    2.78488100
 H                 -2.34753600    0.49305100    3.27670900
 C                 -1.74369700    3.10828300    0.45001700
 H                 -1.85601800    4.07527100    0.92225100
 C                 -1.82347900    0.68823300    0.61065100
 C                 -1.95643000    1.96418700    1.18457200
 H                 -2.24505300    2.07262100    2.21793700
 C                 -1.38731900    3.01159900   -0.89433000
 H                 -1.20652200    3.90190300   -1.48198600

13
Chain-shaped Ga3Cl10 (-1 charged)
 Ga                -3.19642400   -0.68085800    0.01688500
 Ga                 0.00002800    1.40156400   -0.00006400
 Ga                 3.19663200   -0.68051000   -0.01673900
 Cl                 2.36757300   -1.13441000   -1.96511700
 Cl                -1.24332400    2.49916800    1.37087300
 Cl                 1.24323100    2.49790800   -1.37224700
 Cl                 4.53868500    1.01553000    0.10298200
 Cl                -1.28039200   -0.01468200   -1.26016000
 Cl                -3.84541100   -2.40220000   -1.13797400
 Cl                -2.36758500   -1.13298700    1.96579400
 Cl                 1.27990600   -0.01485500    1.25997900
 Cl                -4.53905300    1.01486800   -0.10260500
 Cl                 3.84594000   -2.40163700    1.13832600

13
Chain-shaped Ga3Cl10 (neutral)
 Ga                -2.64993600   -0.89055900   -0.16703000
 Ga                 0.15297300    1.63865400    0.01020200
 Ga                 2.76908500   -0.85923500   -0.10882700
 Cl                 2.54772900    0.51315900   -1.78677400
 Cl                -1.61959300    2.08338600    1.43203200
 Cl                 0.58721300    3.50228200   -0.90339600
 Cl                 4.67147300   -0.98352500    0.85200500
 Cl                -0.85286900    0.10190100   -1.33941100
 Cl                -2.47201800   -2.98555400   -0.47334600
 Cl                -1.95381000   -0.44041400    1.97890100
 Cl                 1.51955700    0.65073000    1.45459000
 Cl                -4.35688600    0.30240400   -0.61337600
 Cl                 1.43298300   -2.54170100   -0.11679400

13
Star-shaped Ga3Cl10 (-1 charged)
 Ga                -0.86913900    2.18869300   -0.00615000
 Ga                -1.46320200   -1.84693100   -0.00668400
 Ga                 2.33121100   -0.34205500   -0.00649500
 Cl                 2.00428200   -1.10372700    1.97928500
 Cl                -3.02119100   -1.79899300   -1.50350000
 Cl                -0.09553100   -3.50866200   -0.18858700
 Cl                 3.07151700   -1.71656300   -1.50087800
 Cl                -1.95998600   -1.18229400    1.97810600
 Cl                -0.05134500    2.28417900    1.98122400
 Cl                -0.04592300    3.51835100   -1.49794700
 Cl                 0.00092300    0.00005100   -0.82688200
 Cl                -2.99169600    1.83683900   -0.19484000
 Cl                 3.09101000    1.67135200   -0.19073500

13
Star-shaped Ga3Cl10 (Neutral)
 Ga                 0.97888400   -1.96096900    0.01366700
 Ga                 1.27201200    1.90611500    0.13994900
 Ga                -2.66538300    0.07121200    0.01942400
 Cl                -3.26108800    1.58245400    1.39831400
 Cl                 2.09644600    0.91307500   -1.75779400
 Cl                -0.16471700    3.36495000   -0.42222000
 Cl                -2.23964700    0.58994400   -2.00501700
 Cl                 2.83836100    2.16673700    1.55611900
 Cl                 1.15330700   -3.28744500    1.66297900
 Cl                 0.06795300   -2.32795400   -1.86828800
 Cl                 0.03219400    0.03262900    0.93001400
 Cl                 3.07438700   -1.07525900   -0.38311800
 Cl                -2.84136500   -1.98896000    0.57346700

