76
 t0  
 H                  0.06833700   -0.06136200    1.69477900
 H                  0.19341500   -1.71585500    0.84049300
 H                  0.19639300   -1.67076700   -0.85554900
 H                  0.07467500   -0.00125000   -1.63029600
 P                  2.45032700   -0.23962300    0.03458100
 P                 -2.25445500   -0.60778400    0.02719600
 N                 -0.10259700    1.78006200    0.09309800
 C                 -0.25681300    2.92836200    0.12546700
 C                 -0.55014900    4.35947200    0.15165200
 C                  3.26413500   -0.35735100    1.73017000
 H                  4.34757700   -0.38714900    1.56922700
 C                  2.93615000    0.86379200    2.60120300
 H                  3.36818600    1.78868300    2.20635700
 H                  3.33899700    0.72329700    3.61162200
 H                  1.85230600    0.99614200    2.68468400
 C                  2.84131600   -1.64848800    2.44528800
 H                  3.05489900   -2.54665900    1.85754700
 H                  1.76828000   -1.63457800    2.65219300
 H                  3.37699300   -1.74152600    3.39803400
 C                  3.16578300    1.38612200   -0.61518400
 H                  2.72793200    2.09122100    0.10306700
 C                  4.69197000    1.54555900   -0.56697200
 H                  5.12002900    1.29702100    0.40794100
 H                  4.96468200    2.58550400   -0.78731600
 H                  5.18116500    0.92032000   -1.31994600
 C                  2.62781100    1.78346100   -1.99892300
 H                  1.55174600    1.61979800   -2.07712800
 H                  3.11079000    1.21598700   -2.79908300
 H                  2.83563700    2.84517300   -2.18414000
 C                  3.22833700   -1.68741500   -0.89603700
 H                  2.62370300   -2.51752600   -0.51055700
 C                  2.96673600   -1.60073300   -2.40740700
 H                  1.93783700   -1.30307800   -2.62356500
 H                  3.14438600   -2.57760900   -2.87319000
 H                  3.64376300   -0.88661200   -2.88752300
 C                  4.70574900   -2.00397400   -0.61946300
 H                  4.90964100   -2.19280900    0.43770100
 H                  5.36967800   -1.20095200   -0.95106300
 H                  4.99320100   -2.90901700   -1.16905100
 C                 -3.04446700   -0.79065000    1.72920400
 H                 -4.11158800   -0.98648100    1.57532300
 C                 -2.43386100   -1.97929900    2.48612600
 H                 -2.51582300   -2.92013100    1.93319400
 H                 -2.94639900   -2.11465500    3.44641300
 H                 -1.37351600   -1.80106300    2.68340600
 C                 -2.90183600    0.49437100    2.55726700
 H                 -3.46071700    1.33290900    2.12965600
 H                 -1.84888100    0.78381400    2.63852000
 H                 -3.28726300    0.33211800    3.57112700
 C                 -3.22299700    0.85519200   -0.68034200
 H                 -2.92600700    1.64632700    0.01956000
 C                 -4.75468500    0.75340100   -0.65454000
 H                 -5.14885700    0.44817900    0.31857300
 H                 -5.11911600    0.04381000   -1.40342400
 H                 -5.19690800    1.72874400   -0.89467800
 C                 -2.73790200    1.29799400   -2.06924400
 H                 -1.64884500    1.34083300   -2.12479500
 H                 -3.14163600    2.29186200   -2.30259500
 H                 -3.08437800    0.62011000   -2.85398200
 C                 -2.78829900   -2.19378600   -0.84723400
 H                 -2.06239900   -2.90185000   -0.42923100
 C                 -4.19905700   -2.72950300   -0.56144800
 H                 -4.38189300   -2.90341700    0.50189300
 H                 -4.33259500   -3.69125200   -1.07215200
 H                 -4.97799100   -2.05740000   -0.93133000
 C                 -2.53332400   -2.12450200   -2.36042600
 H                 -1.56081900   -1.68154100   -2.58702000
 H                 -3.30882400   -1.54136200   -2.86814500
 H                 -2.55743900   -3.13396000   -2.78830000
 Os                 0.08997300   -0.31348200    0.02817800
 H                 -0.07980400    4.78927800    1.04340000
 H                 -0.06731000    4.81991000   -0.71803300
 C                 -2.06401400    4.63903900    0.14523000
 H                 -2.23567000    5.71903100    0.15756800
 H                 -2.53420000    4.22508000   -0.75052400
 H                 -2.54669400    4.20361100    1.02412500
76
 TS0-1  
 H                 -0.00469900   -1.06393000    1.38577600
 H                 -0.01866600   -1.82004100   -0.29231600
 H                  0.00316500   -0.65431700   -1.60222700
 H                 -0.01578500    1.14255500   -1.09170400
 P                  2.35720200   -0.38320000    0.00523400
 P                 -2.37593800   -0.35904800   -0.00063300
 N                 -0.03101300    1.62429000    1.33547600
 C                  0.02548700    2.20127000    0.29121800
 C                  0.12096100    3.47101200   -0.46682500
 C                  3.07257900   -0.84456600    1.68635700
 H                  4.16290500   -0.77674100    1.60232000
 C                  2.59979100    0.15321200    2.75392800
 H                  2.84771600    1.18959800    2.50433300
 H                  3.07377000   -0.07742400    3.71574700
 H                  1.51575900    0.09773700    2.88007800
 C                  2.71426400   -2.27849500    2.09968500
 H                  3.17743800   -3.02976600    1.45297400
 H                  1.63093100   -2.43204800    2.08322200
 H                  3.06631400   -2.46772900    3.12097700
 C                  3.25036300    1.24401200   -0.37153900
 H                  2.64234700    1.95225700    0.20499300
 C                  4.70287500    1.40619700    0.10217300
 H                  4.81127400    1.27508800    1.18161100
 H                  5.05221900    2.41907700   -0.13515500
 H                  5.38124800    0.70615700   -0.39171500
 C                  3.12038400    1.62285100   -1.85491400
 H                  2.11185000    1.44434400   -2.23835300
 H                  3.82289900    1.05224100   -2.47041400
 H                  3.35907100    2.68406300   -1.99793600
 C                  3.06911600   -1.73757500   -1.10188700
 H                  2.62086900   -2.62650200   -0.64087400
 C                  2.56462100   -1.70213900   -2.55248600
 H                  1.47687500   -1.63045500   -2.59708100
 H                  2.86734100   -2.62345200   -3.06537900
 H                  2.98483900   -0.86435400   -3.11536500
 C                  4.59662500   -1.89532700   -1.07121800
 H                  5.00646600   -1.92589100   -0.05808900
 H                  5.09063000   -1.08181800   -1.61179200
 H                  4.88328000   -2.83043700   -1.56771100
 C                 -3.07100600   -1.02768900    1.61742900
 H                 -4.16292200   -0.97286100    1.54605200
 C                 -2.67803700   -2.49319600    1.84978500
 H                 -3.10419000   -3.16664400    1.09996500
 H                 -3.04345600   -2.82461200    2.82937700
 H                 -1.59043100   -2.61099400    1.83654200
 C                 -2.61541800   -0.15649500    2.79784200
 H                 -2.90151600    0.89345400    2.68399500
 H                 -1.52845700   -0.19108700    2.90689100
 H                 -3.06770600   -0.52257000    3.72757600
 C                 -3.26214900    1.30611200   -0.15510200
 H                 -2.65912000    1.92464400    0.52094000
 C                 -4.72060800    1.39511400    0.31965600
 H                 -4.84386800    1.10625900    1.36627100
 H                 -5.38831900    0.77280600   -0.28193600
 H                 -5.07199000    2.43078500    0.22821500
 C                 -3.12279800    1.89717600   -1.56704300
 H                 -2.12293900    1.74588100   -1.98260500
 H                 -3.32749500    2.97470100   -1.54700900
 H                 -3.84453600    1.44807300   -2.25618000
 C                 -3.09400900   -1.56263400   -1.26658700
 H                 -2.57511900   -2.48306700   -0.97073900
 C                 -4.60747700   -1.81450600   -1.19218500
 H                 -4.95819000   -2.04122000   -0.18205300
 H                 -4.87104600   -2.66915400   -1.82740100
 H                 -5.17407400   -0.95447200   -1.56242900
 C                 -2.67407500   -1.27225200   -2.71583500
 H                 -1.60435800   -1.06994000   -2.79389200
 H                 -3.21564200   -0.42045400   -3.13608700
 H                 -2.90241100   -2.14227800   -3.34351900
 Os                -0.00704600   -0.22384500   -0.04533200
 H                  1.03074400    3.42821000   -1.07448900
 H                 -0.71881500    3.51411500   -1.16745800
 C                  0.13043800    4.68352000    0.47119300
 H                  0.21649100    5.60353400   -0.11462900
 H                 -0.79141000    4.73374500    1.05749400
 H                  0.97274700    4.63725200    1.16720300
76
 t1 
 H                 -0.07987400   -1.07692300    1.24803900
 H                  0.00345300   -1.80272900   -0.34220700
 H                  0.00579900   -0.68930400   -1.68363800
 H                  0.07805400    1.49393500   -0.93866200
 P                  2.36626400   -0.40020900    0.03733300
 P                 -2.37373000   -0.31663600   -0.14766100
 N                  0.00224800    1.56636700    1.19564500
 C                  0.03241500    2.16331100    0.11492500
 C                  0.03638800    3.61280400   -0.29594700
 C                  2.93177500   -1.15656100    1.66608000
 H                  4.02730800   -1.13652400    1.66598200
 C                  2.42896400   -0.31878600    2.85157300
 H                  2.76588800    0.72096100    2.80684500
 H                  2.79827800   -0.74587100    3.79179800
 H                  1.33650500   -0.30637300    2.88356300
 C                  2.48024000   -2.61682800    1.80792800
 H                  2.92260100   -3.26889300    1.04882800
 H                  1.39180200   -2.69960800    1.73562800
 H                  2.78402300   -3.00485000    2.78753000
 C                  3.28808400    1.24933800    0.01701600
 H                  2.66178900    1.84225000    0.69473400
 C                  4.72222700    1.27614600    0.56595900
 H                  4.78849100    0.91883600    1.59642200
 H                  5.09589500    2.30781900    0.55901900
 H                  5.40671500    0.67908100   -0.04250100
 C                  3.23295600    1.92095000   -1.36484300
 H                  2.25112700    1.82783200   -1.83703700
 H                  3.97210200    1.48841500   -2.04591800
 H                  3.46666000    2.98832600   -1.27304600
 C                  3.12809800   -1.56527200   -1.23638700
 H                  2.55803800   -2.47893200   -1.02523600
 C                  2.81756800   -1.18146800   -2.69127000
 H                  1.76428800   -0.92705000   -2.82610600
 H                  3.04901100   -2.02749400   -3.34970700
 H                  3.42320800   -0.33562600   -3.02757500
 C                  4.62277900   -1.87929100   -1.07510300
 H                  4.89389200   -2.17382700   -0.05794600
 H                  5.24427600   -1.02329200   -1.35569600
 H                  4.89914900   -2.70778900   -1.73874000
 C                 -3.20942300    0.28716000   -1.72683700
 H                 -4.28988400    0.22401700   -1.55948300
 C                 -2.85405200    1.75362600   -2.01031800
 H                 -3.09412900    2.41698500   -1.17377500
 H                 -3.41097900    2.11270400   -2.88380800
 H                 -1.78786400    1.85639400   -2.23310100
 C                 -2.85663000   -0.58761300   -2.93791800
 H                 -3.20133300   -1.61963100   -2.82597500
 H                 -1.77510100   -0.61000200   -3.10320700
 H                 -3.32942400   -0.18223400   -3.84076500
 C                 -3.02024700   -2.08514000   -0.01912400
 H                 -2.50954700   -2.54181000   -0.87625400
 C                 -4.53351100   -2.28008000   -0.19897500
 H                 -4.93153600   -1.78443700   -1.08826100
 H                 -5.09078900   -1.91520800    0.66852700
 H                 -4.75497000   -3.34984300   -0.29705200
 C                 -2.53532800   -2.83169300    1.23303100
 H                 -1.46386900   -2.70337200    1.39398300
 H                 -2.73808800   -3.90359100    1.11979200
 H                 -3.05801100   -2.49658700    2.13315400
 C                 -3.17442100    0.76762200    1.17291800
 H                 -2.66401300    1.72059300    0.98798000
 C                 -4.68623900    1.01705100    1.07974400
 H                 -4.99476100    1.41309900    0.10821000
 H                 -4.98128400    1.75397700    1.83715600
 H                 -5.26492300    0.10917400    1.27105700
 C                 -2.77399800    0.33194100    2.59076600
 H                 -1.70938800    0.09722900    2.65433600
 H                 -3.34664800   -0.54071500    2.91916500
 H                 -2.98297300    1.14307000    3.29822000
 Os                -0.00122200   -0.20851500   -0.11732700
 H                  0.94944500    3.79922500   -0.87603500
 H                 -0.79895700    3.77279200   -0.98912800
 C                 -0.05413600    4.55775500    0.90114800
 H                 -0.04522900    5.59956700    0.56550100
 H                 -0.97355300    4.38480500    1.46815900
 H                  0.78743100    4.40686700    1.58328300
76
 TS1-2 
 H                 -0.10364400   -0.80561400    1.37040300
 H                  0.01682400   -1.87576400    0.04184400
 H                 -0.03460300   -1.25257600   -1.43486600
 H                  0.23128900    1.87276900   -1.36321000
 P                  2.36698400   -0.40850500    0.07158200
 P                 -2.37390500   -0.33643600   -0.12647100
 N                 -0.01622400    1.68537600    0.71041200
 C                  0.09101000    2.36909300   -0.34532200
 C                  0.04479700    3.88199600   -0.47282600
 C                  2.92158700   -0.69140800    1.84749100
 H                  4.01741400   -0.68180200    1.84722200
 C                  2.42186500    0.44464600    2.75272300
 H                  2.77927800    1.42706500    2.43119200
 H                  2.77376000    0.28417400    3.77899700
 H                  1.32995400    0.48657100    2.76227100
 C                  2.45689500   -2.05338500    2.38277600
 H                  2.88114500   -2.89266800    1.82372800
 H                  1.36665500   -2.13946200    2.34751700
 H                  2.76942200   -2.16671400    3.42763900
 C                  3.27824600    1.17483000   -0.39887100
 H                  2.64822600    1.92402700    0.09499900
 C                  4.71344000    1.35955000    0.11506800
 H                  4.78536500    1.29063600    1.20328000
 H                  5.07498500    2.35599900   -0.16830600
 H                  5.40449900    0.62977000   -0.31536000
 C                  3.20965300    1.44529900   -1.91082500
 H                  2.22719000    1.21637600   -2.33365700
 H                  3.95426900    0.85577700   -2.45433000
 H                  3.42260000    2.50167300   -2.11334500
 C                  3.13272200   -1.87390100   -0.83585400
 H                  2.57679800   -2.70061000   -0.37552600
 C                  2.80438200   -1.90725400   -2.33633900
 H                  1.74559700   -1.71275600   -2.52222300
 H                  3.04172400   -2.89814900   -2.74165400
 H                  3.39377900   -1.17859000   -2.89927900
 C                  4.63271600   -2.11288800   -0.61056200
 H                  4.91557500   -2.10825300    0.44550300
 H                  5.23730200   -1.36039000   -1.12585800
 H                  4.91750400   -3.08970500   -1.02036800
 C                 -3.21376000    0.24651700   -1.71099000
 H                 -4.28585700    0.05474200   -1.59248300
 C                 -3.02526800    1.75014700   -1.95701100
 H                 -3.43070500    2.36648800   -1.14998400
 H                 -3.53923600    2.04140600   -2.88081300
 H                 -1.96830700    2.00450000   -2.07609300
 C                 -2.70578300   -0.55612800   -2.91860700
 H                 -2.83924500   -1.63496900   -2.79623800
 H                 -1.63912300   -0.37632900   -3.08635400
 H                 -3.24713500   -0.25560200   -3.82370300
 C                 -3.01293000   -2.10530500    0.03919700
 H                 -2.37197900   -2.61879700   -0.68754300
 C                 -4.47687000   -2.36920800   -0.34343200
 H                 -4.70895700   -2.07192600   -1.36932100
 H                 -5.17634600   -1.85739100    0.32272200
 H                 -4.68304900   -3.44394400   -0.26769700
 C                 -2.70193600   -2.70433600    1.41973600
 H                 -1.68193800   -2.48274700    1.74258300
 H                 -2.81607500   -3.79431400    1.38467500
 H                 -3.39373600   -2.33087800    2.18111400
 C                 -3.16006300    0.76353900    1.18372200
 H                 -2.79778800    1.74684600    0.86018700
 C                 -4.69387200    0.79629100    1.22643000
 H                 -5.14858800    0.96503500    0.24593200
 H                 -5.02820700    1.60775200    1.88435100
 H                 -5.10252500   -0.13447300    1.63200200
 C                 -2.57504000    0.53955600    2.58680200
 H                 -1.48412200    0.55335100    2.56911600
 H                 -2.90901000   -0.40424400    3.02636300
 H                 -2.91013300    1.34548400    3.25101900
 Os                -0.00548500   -0.27100400   -0.12133500
 H                  0.93993400    4.20802500   -1.02269300
 H                 -0.80699700    4.14718000   -1.11713600
 C                 -0.05408000    4.60309200    0.86883000
 H                 -0.07481200    5.68868600    0.72536400
 H                 -0.95894700    4.30752000    1.40782700
 H                  0.79792300    4.35515400    1.50931500
76
 t2 
 H                 -0.07444900   -0.55919800    1.63428600
 H                 -0.13755500   -1.90296800    0.55434900
 H                 -0.09425600   -1.44512700   -1.11185300
 H                  0.11668300    2.91787900   -2.00936100
 P                  2.30997700   -0.50763000    0.09983800
 P                 -2.43135800   -0.28067500    0.08639900
 N                  0.03576100    1.49554900   -0.54315000
 C                  0.09631800    2.69747200   -0.93091400
 C                  0.17169400    3.89457600   -0.00589500
 C                  3.08483100    0.08538200    1.71018200
 H                  4.17081100   -0.02255400    1.60968600
 C                  2.76214400    1.56603900    1.95771700
 H                  3.20578200    2.22166400    1.20277700
 H                  3.15609600    1.87853700    2.93218200
 H                  1.68068400    1.73346800    1.95790400
 C                  2.62077400   -0.76780700    2.90032200
 H                  2.85156300   -1.82984700    2.77734000
 H                  1.54012400   -0.67885300    3.04446000
 H                  3.11602600   -0.42693100    3.81735900
 C                  3.15566700    0.57904700   -1.18550200
 H                  2.81517100    1.56991800   -0.86150000
 C                  4.68970000    0.58047200   -1.20342500
 H                  5.13033500    0.72392500   -0.21264800
 H                  5.05213100    1.39546000   -1.84213800
 H                  5.08581600   -0.35200600   -1.61679800
 C                  2.58988500    0.37139200   -2.59940200
 H                  1.49771200    0.35841900   -2.59577400
 H                  2.94016700   -0.56266300   -3.04727500
 H                  2.91962500    1.18964900   -3.25135900
 C                  2.93066700   -2.28048100   -0.04599300
 H                  2.27592400   -2.78211600    0.67688500
 C                  2.63501200   -2.88929400   -1.42523300
 H                  1.61523300   -2.67656600   -1.75477800
 H                  2.75663200   -3.97821100   -1.38304000
 H                  3.33038800   -2.51546300   -2.18363400
 C                  4.39005100   -2.54700900    0.35473700
 H                  4.63121600   -2.19272100    1.35992700
 H                  5.09647900   -2.08755800   -0.34163600
 H                  4.57822400   -3.62757800    0.34071500
 C                 -3.14621800    0.36675300    1.70419300
 H                 -4.23449800    0.41626100    1.58510200
 C                 -2.83170700   -0.57302700    2.87748000
 H                 -3.27018000   -1.56731100    2.75188700
 H                 -3.23405600   -0.15381600    3.80750200
 H                 -1.75167800   -0.69630800    3.00173300
 C                 -2.62216600    1.78081500    1.99566700
 H                 -2.90577000    2.50145700    1.22280500
 H                 -1.53045400    1.78092100    2.07068800
 H                 -3.03024800    2.14284300    2.94698700
 C                 -3.14782300    0.90916700   -1.18541400
 H                 -2.63013300    1.83212500   -0.89746900
 C                 -4.65719300    1.18079800   -1.14565700
 H                 -5.01790100    1.44328200   -0.14717300
 H                 -5.23445700    0.32148300   -1.49814100
 H                 -4.89623700    2.02252500   -1.80768600
 C                 -2.68379600    0.57952800   -2.61279300
 H                 -1.61544700    0.35209100   -2.64589300
 H                 -2.87050900    1.43754200   -3.26993200
 H                 -3.22780300   -0.27281700   -3.03016600
 C                 -3.22924200   -1.97919400   -0.07233400
 H                 -2.69686700   -2.52028700    0.71985400
 C                 -4.73730600   -2.06579600    0.20864300
 H                 -5.02899900   -1.59471400    1.15060700
 H                 -5.03767900   -3.11922500    0.26521600
 H                 -5.32441600   -1.60723200   -0.59180700
 C                 -2.89143600   -2.67837100   -1.39753700
 H                 -1.82724800   -2.60856300   -1.63297900
 H                 -3.45906200   -2.25523400   -2.23190200
 H                 -3.15592200   -3.74049600   -1.33113100
 Os                -0.05491000   -0.30512600    0.03827900
 H                  0.12259400    3.53939700    1.02844300
 H                 -0.70774000    4.53349800   -0.17355500
 C                  1.44337000    4.72328500   -0.23367800
 H                  1.45906600    5.61150400    0.40709700
 H                  2.33959400    4.13345600   -0.01402000
 H                  1.51368500    5.06188000   -1.27382100
76
 TS0-0b 
 H                 -0.03313900   -0.70113200    1.61436900
 H                  0.04670200   -1.80478700    0.19965300
 H                  0.01118000   -1.07840500   -1.33827600
 H                  0.08277600    0.76727200   -1.38068400
 P                  2.39077600   -0.38099600    0.05184000
 P                 -2.32867400   -0.36775800    0.02058200
 N                  0.20284400    1.90158400    1.13839400
 C                 -0.02711900    2.62262000    0.24897400
 C                 -0.36809700    3.62832200   -0.75288700
 C                  3.09770600   -1.09831800    1.64331000
 H                  4.18643700   -1.13940600    1.52556000
 C                  2.76866100   -0.19552200    2.84164200
 H                  3.21235900    0.80089200    2.75218800
 H                  3.15487400   -0.64334900    3.76547000
 H                  1.68627800   -0.07589700    2.94659100
 C                  2.58593900   -2.52421700    1.89203800
 H                  2.84127100   -3.21184900    1.07982100
 H                  1.49881400   -2.52805700    2.00911400
 H                  3.03053600   -2.92424000    2.81156300
 C                  3.31642900    1.26506100   -0.06773200
 H                  2.81974500    1.82650500    0.73290600
 C                  4.82336200    1.26135300    0.22832500
 H                  5.07070700    0.79898000    1.18705300
 H                  5.19362300    2.29393800    0.26178000
 H                  5.38832400    0.74312300   -0.55172500
 C                  3.03487400    2.00953600   -1.38280600
 H                  1.99846500    1.88796600   -1.70565500
 H                  3.67938400    1.64831200   -2.18995300
 H                  3.24328700    3.07985100   -1.26065700
 C                  3.04635300   -1.57037700   -1.26068900
 H                  2.40944000   -2.44236900   -1.06524500
 C                  2.73551400   -1.10113600   -2.69069300
 H                  1.72266100   -0.70166200   -2.77479400
 H                  2.83084200   -1.94295200   -3.38709700
 H                  3.43785300   -0.32947800   -3.02011100
 C                  4.51209100   -2.01352100   -1.14786900
 H                  4.76839200   -2.40109900   -0.15851700
 H                  5.20132500   -1.19606600   -1.37826000
 H                  4.70979300   -2.81465100   -1.87104500
 C                 -3.28123800    0.56519100    1.36266100
 H                 -4.30073500    0.16590100    1.34578300
 C                 -2.67011100    0.27723100    2.74188200
 H                 -2.61455100   -0.79387200    2.95761200
 H                 -3.27727600    0.74479900    3.52698800
 H                 -1.65328300    0.67438000    2.80616700
 C                 -3.38356000    2.07986700    1.13023600
 H                 -3.87796800    2.33397600    0.18828700
 H                 -2.40108700    2.55578300    1.14701200
 H                 -3.97413400    2.53364400    1.93558900
 C                 -3.22139600    0.21445200   -1.54389400
 H                 -3.02745100    1.29478200   -1.50102300
 C                 -4.74220300    0.00325400   -1.57883900
 H                 -5.24644500    0.35262400   -0.67344800
 H                 -4.99057700   -1.05328300   -1.71814500
 H                 -5.17616300    0.54889700   -2.42605700
 C                 -2.57831800   -0.28533500   -2.84641700
 H                 -1.50084600   -0.11346600   -2.84890600
 H                 -3.01599000    0.24942500   -3.69905800
 H                 -2.75369900   -1.35202000   -3.00848600
 C                 -2.85104800   -2.15817700    0.37313900
 H                 -2.13677000   -2.41815300    1.16232200
 C                 -4.26567300   -2.41581800    0.91509900
 H                 -4.45317700   -1.90917200    1.86534400
 H                 -4.39024400   -3.49056100    1.09771500
 H                 -5.04713700   -2.11600000    0.21203400
 C                 -2.56112700   -3.07799400   -0.82296400
 H                 -1.57712400   -2.88682200   -1.25769300
 H                 -3.31570600   -2.96219800   -1.60795200
 H                 -2.58908600   -4.12601800   -0.50099700
 Os                 0.03299000   -0.21549700    0.01256500
 H                  0.40119900    3.60594400   -1.53061100
 H                 -1.30576200    3.30703300   -1.21837600
 C                 -0.50484300    5.02960900   -0.13347900
 H                 -0.77102000    5.74372400   -0.91702000
 H                 -1.28657100    5.04734000    0.63066900
 H                  0.43380400    5.35334400    0.32393000
76
 t0b 
 H                 -0.02181300   -0.74606400    1.57655800
 H                  0.05843800   -1.79105200    0.09801900
 H                  0.03003600   -0.98028500   -1.40025500
 H                  0.12164500    0.83600700   -1.35393200
 P                  2.40464400   -0.34874700    0.04664000
 P                 -2.31747100   -0.36993300    0.02323800
 N                  0.23118600    1.88971900    1.22813600
 C                 -0.09490600    2.46132500    0.25638900
 C                 -0.52512900    3.44157000   -0.74524400
 C                  3.09899300   -1.12599200    1.61435300
 H                  4.18942600   -1.14943400    1.50797200
 C                  2.74580700   -0.28008900    2.84689600
 H                  3.16841500    0.72822800    2.80205900
 H                  3.13677100   -0.75917300    3.75283000
 H                  1.66100200   -0.18569800    2.95067000
 C                  2.60090700   -2.56676500    1.79548100
 H                  2.88310800   -3.21892700    0.96312800
 H                  1.51164600   -2.58856700    1.88887500
 H                  3.03063400   -2.99691000    2.70838300
 C                  3.31522300    1.30798700   -0.00039800
 H                  2.79567900    1.84071900    0.80502700
 C                  4.81524700    1.30944600    0.32883800
 H                  5.04271800    0.83644300    1.28740400
 H                  5.17725600    2.34396000    0.38471900
 H                  5.40232400    0.80496200   -0.44367100
 C                  3.05310700    2.08782700   -1.29894000
 H                  2.02838700    1.95691000   -1.65367100
 H                  3.72606300    1.76559000   -2.09942000
 H                  3.23355800    3.15786700   -1.13821500
 C                  3.07803900   -1.48120400   -1.30607600
 H                  2.45494600   -2.36899700   -1.13933600
 C                  2.76172100   -0.97281100   -2.72163600
 H                  1.74156300   -0.59102500   -2.79792300
 H                  2.87546600   -1.79083700   -3.44323700
 H                  3.44963700   -0.17774000   -3.02447100
 C                  4.55083200   -1.90401000   -1.20737900
 H                  4.81942800   -2.30319800   -0.22601500
 H                  5.22555900   -1.07215200   -1.42937300
 H                  4.75717900   -2.68986700   -1.94472600
 C                 -3.26059300    0.48384100    1.42332300
 H                 -4.27577200    0.07396700    1.39868300
 C                 -2.62838900    0.13429700    2.77874800
 H                 -2.54767800   -0.94534000    2.93619700
 H                 -3.23680200    0.54577300    3.59362700
 H                 -1.61998700    0.55032900    2.85524100
 C                 -3.38273600    2.00754500    1.27268700
 H                 -3.88273600    2.30667100    0.34697500
 H                 -2.40623000    2.49418100    1.31626800
 H                 -3.97799600    2.40863100    2.10213400
 C                 -3.24008700    0.27535300   -1.49789900
 H                 -3.07266600    1.35635600   -1.39986100
 C                 -4.75606100    0.03329000   -1.52818900
 H                 -5.25677400    0.33196900   -0.60287700
 H                 -4.98457700   -1.02086400   -1.71151600
 H                 -5.21044600    0.60713800   -2.34549900
 C                 -2.59793100   -0.14051800   -2.82988000
 H                 -1.52399800    0.05393000   -2.83155500
 H                 -3.05449800    0.42763700   -3.65030700
 H                 -2.75039300   -1.20123300   -3.04587500
 C                 -2.81156200   -2.18270600    0.29251200
 H                 -2.08220300   -2.47240000    1.05705100
 C                 -4.21379900   -2.48715400    0.84240500
 H                 -4.39539200   -2.02522000    1.81629300
 H                 -4.31765000   -3.57070500    0.98019900
 H                 -5.01049300   -2.17114000    0.16404500
 C                 -2.52750300   -3.03555500   -0.95361800
 H                 -1.55299000   -2.80760700   -1.39174200
 H                 -3.29529800   -2.89035400   -1.72068500
 H                 -2.53566400   -4.09913500   -0.68638700
 Os                 0.04345500   -0.19207000   -0.00195700
 H                  0.21240000    3.44143500   -1.55319600
 H                 -1.46327100    3.07714300   -1.17364500
 C                 -0.69325400    4.84076100   -0.13232300
 H                 -1.01291100    5.53916200   -0.91057600
 H                 -1.44867100    4.83673400    0.65821200
 H                  0.24757400    5.20308100    0.29070400
76
 TS0b-1b 
 H                 -0.02268300   -0.90066000    1.48418200
 H                  0.03992800   -1.80418700   -0.09125700
 H                 -0.01984500   -0.80881800   -1.51060600
 H                  0.12912300    1.06821100   -1.18054900
 P                  2.39314300   -0.36327200    0.04513200
 P                 -2.34025700   -0.34533300    0.03426600
 N                  0.12538000    1.78686800    1.17697400
 C                 -0.04001500    2.22841400    0.07763000
 C                 -0.32330000    3.39912600   -0.78753900
 C                  3.05756400   -1.07456100    1.65607900
 H                  4.15104300   -1.04597600    1.59281700
 C                  2.61523500   -0.21248400    2.84847700
 H                  2.92693800    0.83204300    2.75487700
 H                  3.05163500   -0.60577800    3.77465600
 H                  1.52683000   -0.22409100    2.94937400
 C                  2.62544400   -2.53361100    1.85831400
 H                  3.03535400   -3.20220000    1.09514400
 H                  1.53528900   -2.62279800    1.84099400
 H                  2.98025500   -2.89448200    2.83135400
 C                  3.30109100    1.29229500   -0.06166800
 H                  2.70664900    1.89664800    0.63398900
 C                  4.76168900    1.34246600    0.41211500
 H                  4.88334100    1.01735700    1.44823500
 H                  5.12841200    2.37516000    0.35378500
 H                  5.41844700    0.73042800   -0.21189900
 C                  3.16986600    1.93519500   -1.45196800
 H                  2.17380700    1.79796100   -1.88036900
 H                  3.89645000    1.51389300   -2.15369800
 H                  3.37078700    3.01161400   -1.38882400
 C                  3.09810000   -1.54980000   -1.24171900
 H                  2.54601000   -2.46229200   -0.98316900
 C                  2.70946100   -1.19632400   -2.68577300
 H                  1.64916500   -0.95033700   -2.77042800
 H                  2.91333500   -2.05285500   -3.33979700
 H                  3.28980100   -0.35250100   -3.06880100
 C                  4.60127200   -1.85185900   -1.15234000
 H                  4.92679600   -2.12547900   -0.14533300
 H                  5.20157800   -0.99786500   -1.48096700
 H                  4.84897100   -2.69118700   -1.81382700
 C                 -3.22248000    0.33237700    1.56094700
 H                 -4.25689700   -0.02306800    1.49996500
 C                 -2.58682600   -0.23822100    2.83718400
 H                 -2.54578800   -1.33170800    2.83356300
 H                 -3.16713700    0.07050000    3.71531400
 H                 -1.56321700    0.12821100    2.95318600
 C                 -3.26190300    1.86673500    1.63142800
 H                 -3.76919700    2.31958600    0.77430200
 H                 -2.25637000    2.28642800    1.70380400
 H                 -3.81207200    2.17537800    2.52878000
 C                 -3.25580600    0.54905400   -1.35858000
 H                 -3.03025500    1.59500600   -1.11082800
 C                 -4.78274600    0.38935400   -1.38579100
 H                 -5.24970400    0.56722300   -0.41312100
 H                 -5.07002700   -0.61203900   -1.72088700
 H                 -5.22088100    1.10306600   -2.09445400
 C                 -2.66070500    0.29581700   -2.75213400
 H                 -1.57464500    0.40560700   -2.75276900
 H                 -3.08139700    1.01341300   -3.46772500
 H                 -2.89603900   -0.70576500   -3.12117200
 C                 -2.87582900   -2.16137700    0.04761200
 H                 -2.14883200   -2.57826300    0.75388400
 C                 -4.28325200   -2.49504700    0.56530100
 H                 -4.44016400   -2.17451300    1.59841400
 H                 -4.42808400   -3.58226700    0.54321000
 H                 -5.07123400   -2.05150100   -0.04882900
 C                 -2.62788000   -2.83230400   -1.31233300
 H                 -1.65384400   -2.56383300   -1.72789200
 H                 -3.40206700   -2.56044300   -2.03729200
 H                 -2.65844800   -3.92265700   -1.20071200
 Os                 0.02619200   -0.19363600   -0.01562300
 H                  0.46647600    3.46621000   -1.54307600
 H                 -1.25179600    3.18773700   -1.32992900
 C                 -0.43298700    4.69215200    0.02736800
 H                 -0.64377700    5.53383200   -0.63899100
 H                 -1.23826100    4.62510400    0.76418900
 H                  0.49868500    4.89993200    0.56110600
76
 t1b 
 H                 -0.02125400   -0.95502500    1.40843800
 H                  0.01231900   -1.83633700   -0.09715300
 H                 -0.05104800   -0.87338400   -1.53893000
 H                  0.04761700    1.35080700   -1.06198500
 P                  2.37553700   -0.39343000    0.03407600
 P                 -2.36787400   -0.34321700    0.03522900
 N                  0.05989500    1.70682100    1.04499300
 C                  0.02455600    2.15353400   -0.10536000
 C                 -0.05021600    3.52894600   -0.71507900
 C                  3.02715800   -0.88164400    1.73121700
 H                  4.12113000   -0.85554400    1.67438400
 C                  2.56807200    0.13044200    2.79194200
 H                  2.88905000    1.15197700    2.56790700
 H                  2.98583800   -0.14108200    3.76896000
 H                  1.47819900    0.14159500    2.87255900
 C                  2.60334900   -2.30361300    2.12517000
 H                  3.02089800   -3.06616700    1.46082600
 H                  1.51391400   -2.40527900    2.11833100
 H                  2.95628300   -2.52617600    3.13930100
 C                  3.27583300    1.23635000   -0.28949400
 H                  2.67807600    1.92293600    0.32194300
 C                  4.73518200    1.35625500    0.17380200
 H                  4.85886500    1.15158900    1.24007400
 H                  5.09015700    2.37983700   -0.00034800
 H                  5.39946500    0.68518800   -0.37728300
 C                  3.13808500    1.68762600   -1.75268000
 H                  2.13405700    1.51607100   -2.15052000
 H                  3.84733800    1.16073700   -2.39818000
 H                  3.35902300    2.75824500   -1.83822800
 C                  3.08688200   -1.74177800   -1.07682200
 H                  2.54246700   -2.61397100   -0.69305700
 C                  2.69641600   -1.59768100   -2.55582200
 H                  1.63333700   -1.37769600   -2.67236200
 H                  2.90878000   -2.53528000   -3.08403300
 H                  3.26804600   -0.80960300   -3.05380500
 C                  4.59261200   -2.01403400   -0.94543000
 H                  4.92010400   -2.13452100    0.09057500
 H                  5.18374500   -1.21110100   -1.39625600
 H                  4.84893100   -2.93830100   -1.47757400
 C                 -3.15945600   -0.09763600    1.72748900
 H                 -4.22915900   -0.30051600    1.60358400
 C                 -2.59348900   -1.09766400    2.74691400
 H                 -2.64822000   -2.13480600    2.40211400
 H                 -3.15555800   -1.03007800    3.68610200
 H                 -1.54428100   -0.87601300    2.96126600
 C                 -2.99741200    1.33753200    2.25032200
 H                 -3.50483100    2.07433600    1.61968100
 H                 -1.94225900    1.61585500    2.31758000
 H                 -3.43611900    1.41491900    3.25281400
 C                 -3.23659000    0.97883100   -0.99815200
 H                 -2.87287700    1.88770100   -0.50017800
 C                 -4.77110500    0.99584200   -0.95471000
 H                 -5.16971400    0.97181900    0.06293100
 H                 -5.19303900    0.14904200   -1.50453700
 H                 -5.14779200    1.90916800   -1.43177600
 C                 -2.73888000    1.04049400   -2.45165800
 H                 -1.65098200    0.96847000   -2.51858100
 H                 -3.04901300    1.98785000   -2.90944000
 H                 -3.16093400    0.23561000   -3.05881300
 C                 -3.00195600   -2.05337700   -0.46288000
 H                 -2.30106500   -2.69471600    0.08495600
 C                 -4.42831600   -2.43374100   -0.03631300
 H                 -4.57449200   -2.39229300    1.04585700
 H                 -4.63537200   -3.46464600   -0.34903700
 H                 -5.18416700   -1.79648100   -0.50326900
 C                 -2.79980700   -2.33573100   -1.95928100
 H                 -1.81419600   -2.01751500   -2.30664300
 H                 -3.56177000   -1.83481500   -2.56491600
 H                 -2.89397300   -3.41166900   -2.14827900
 Os                 0.00360200   -0.22640000   -0.03928200
 H                  0.79104500    3.64215300   -1.41087800
 H                 -0.95802600    3.57317300   -1.33177700
 C                 -0.04733100    4.63539600    0.33845300
 H                 -0.12570200    5.61694300   -0.13936200
 H                 -0.88622400    4.51810400    1.03031200
 H                  0.87388700    4.61120200    0.92787200
78
 t2+H2 
 H                  0.08184200   -0.57616900    1.68935200
 H                  0.14551600   -1.89516200    0.60212500
 H                  0.07015000   -1.63727800   -3.36647500
 H                 -0.12157600    2.82872000   -2.06854100
 P                  2.43033000   -0.24277500    0.12529400
 P                 -2.30588700   -0.50801400    0.14930500
 N                 -0.04221200    1.49438400   -0.52236800
 C                 -0.11518900    2.67060500   -0.97844700
 C                 -0.23041800    3.91778500   -0.12681300
 C                  3.16375600    0.57835600    1.65250800
 H                  4.25387700    0.57091600    1.53598800
 C                  2.69270800    2.03489100    1.77671000
 H                  3.04238400    2.66341200    0.95241500
 H                  3.07539500    2.47348700    2.70606000
 H                  1.60000700    2.08745400    1.79979600
 C                  2.80117900   -0.19991800    2.92662700
 H                  3.11303700   -1.24757100    2.89113700
 H                  1.72024400   -0.18329500    3.09473100
 H                  3.28787200    0.26023800    3.79489000
 C                  3.14369200    0.79396800   -1.27708900
 H                  2.76420100    1.78790700   -1.01047700
 C                  4.67294700    0.87295800   -1.37215400
 H                  5.14996300    1.10701900   -0.41602700
 H                  4.96045500    1.65897500   -2.08138600
 H                  5.09866100   -0.06470700   -1.74247100
 C                  2.52445000    0.44945300   -2.64080300
 H                  1.43421900    0.43462300   -2.58978700
 H                  2.86023100   -0.52187100   -3.01287500
 H                  2.82306600    1.20388600   -3.37925100
 C                  3.23055200   -1.94854500    0.12388800
 H                  2.62488100   -2.45668100    0.88391700
 C                  3.00345200   -2.68491500   -1.20480700
 H                  1.96772300   -2.60450600   -1.54298000
 H                  3.23786200   -3.74902200   -1.08310700
 H                  3.65753800   -2.29783000   -1.99279200
 C                  4.70634800   -2.03756200    0.54305500
 H                  4.89938900   -1.60139600    1.52626400
 H                  5.36915600   -1.55017200   -0.17624400
 H                  5.00367900   -3.09224400    0.59405800
 C                 -3.08631800    0.11545500    1.74575800
 H                 -4.17317500    0.02282600    1.63813000
 C                 -2.64272000   -0.72904200    2.95001300
 H                 -2.89712400   -1.78745700    2.84404300
 H                 -3.13103900   -0.36283700    3.86098300
 H                 -1.56042900   -0.66148000    3.09426900
 C                 -2.74173900    1.59373900    1.97940100
 H                 -3.15660500    2.24879700    1.20771900
 H                 -1.65745400    1.74067100    1.99844500
 H                 -3.14890300    1.92610000    2.94180900
 C                 -3.15072300    0.55169200   -1.15865700
 H                 -2.82962700    1.55173700   -0.84297500
 C                 -4.68425100    0.52996000   -1.19542400
 H                 -5.13945700    0.66852500   -0.21055700
 H                 -5.06089900   -0.40918900   -1.61165800
 H                 -5.05088300    1.33797500   -1.84058000
 C                 -2.56406900    0.33374800   -2.56227800
 H                 -1.47262200    0.35350900   -2.54694200
 H                 -2.91149000    1.12872500   -3.23366800
 H                 -2.88080400   -0.61912100   -2.99474400
 C                 -2.92090400   -2.28470800    0.03482200
 H                 -2.27661800   -2.76832200    0.77920200
 C                 -4.38582200   -2.54601900    0.41840900
 H                 -4.64920500   -2.15368600    1.40370800
 H                 -4.56646900   -3.62766800    0.44319000
 H                 -5.08161200   -2.11991600   -0.30902400
 C                 -2.60079700   -2.92372100   -1.32500200
 H                 -1.57285000   -2.72572900   -1.63658800
 H                 -3.27591100   -2.56050900   -2.10652000
 H                 -2.73210900   -4.01063200   -1.26340500
 Os                 0.05885700   -0.29606200    0.09587000
 H                 -0.22344500    3.62316400    0.92751300
 H                  0.65203800    4.55248700   -0.29421800
 H                  0.11878300   -1.43124900   -1.05405700
 H                  0.05998800   -1.86623100   -4.07518500
 C                 -1.49608800    4.72279400   -0.45307700
 H                 -1.54597900    5.64236700    0.13992300
 H                 -1.52226400    5.00707100   -1.51135800
 H                 -2.39816000    4.13731800   -0.24419900
78
 TS2-3a 
 H                  0.00791600    0.68584400    1.25797400
 H                  0.10026100   -1.00064500    1.43012700
 H                  0.05073600    0.12522400   -1.92636300
 H                 -0.11771100    3.21130600   -2.24702400
 P                  2.42933400   -0.22664000    0.11613300
 P                 -2.30581200   -0.47217900    0.13115700
 N                 -0.01775200    1.37972800   -1.32511500
 C                 -0.11122300    2.64057000   -1.29935900
 C                 -0.24389800    3.49464700   -0.05597200
 C                  3.08504000    0.39962800    1.76610000
 H                  4.17795600    0.39070200    1.68868900
 C                  2.63193700    1.84230200    2.03599500
 H                  2.90831300    2.53222500    1.23376100
 H                  3.09303200    2.21022400    2.96047400
 H                  1.54649100    1.88867900    2.15538000
 C                  2.68168200   -0.51108200    2.93356600
 H                  3.06755200   -1.52917200    2.82650700
 H                  1.59339900   -0.56891100    3.02605100
 H                  3.07973100   -0.10865100    3.87289200
 C                  3.25038200    0.94872500   -1.11144100
 H                  2.61244100    1.83312500   -1.00062500
 C                  4.70127300    1.37116200   -0.83518200
 H                  4.83383600    1.82927900    0.14803500
 H                  5.00950600    2.11507700   -1.58038900
 H                  5.39721000    0.53143700   -0.90986500
 C                  3.10230000    0.47326700   -2.56500800
 H                  2.10483800    0.08351500   -2.77743600
 H                  3.83208900   -0.30622800   -2.80522100
 H                  3.28612600    1.31112800   -3.24764600
 C                  3.22142100   -1.93390700   -0.01260400
 H                  2.72415900   -2.44293700    0.82283500
 C                  2.81739500   -2.68876500   -1.28882100
 H                  1.74356800   -2.62417400   -1.47542800
 H                  3.08086400   -3.74854500   -1.18752600
 H                  3.34050300   -2.30755600   -2.16992400
 C                  4.73914200   -2.01517100    0.20435200
 H                  5.07151600   -1.50304700    1.11153700
 H                  5.28751400   -1.59349700   -0.64329700
 H                  5.04371000   -3.06524000    0.29320400
 C                 -3.00101700   -0.10983700    1.84372500
 H                 -4.09114400   -0.17286100    1.75289600
 C                 -2.55148600   -1.13761100    2.89097100
 H                 -2.91145400   -2.14708600    2.67213200
 H                 -2.94463400   -0.85821300    3.87581900
 H                 -1.46042700   -1.17481500    2.96310400
 C                 -2.63727300    1.31015100    2.30477300
 H                 -2.90600800    2.07912900    1.57503600
 H                 -1.56289500    1.39064000    2.48886300
 H                 -3.16171800    1.54377000    3.23905400
 C                 -3.23618500    0.75948800   -0.95281700
 H                 -2.64421300    1.66449700   -0.78120800
 C                 -4.69717000    1.07653600   -0.59966000
 H                 -4.81862900    1.44387400    0.42232100
 H                 -5.35264800    0.21093100   -0.72491400
 H                 -5.06750900    1.86303100   -1.26913900
 C                 -3.10415100    0.41971100   -2.44477100
 H                 -2.08503400    0.13545800   -2.71565600
 H                 -3.37660000    1.29292300   -3.04932400
 H                 -3.77693300   -0.39567900   -2.72887800
 C                 -2.96134300   -2.20916900   -0.20488500
 H                 -2.49265700   -2.76495100    0.61695200
 C                 -4.48240100   -2.39509000   -0.11217600
 H                 -4.91123800   -1.98346900    0.80584600
 H                 -4.72713800   -3.46413100   -0.13480800
 H                 -4.99198900   -1.93096200   -0.96208000
 C                 -2.42087800   -2.82233500   -1.50604300
 H                 -1.33772300   -2.71303800   -1.58262100
 H                 -2.87201800   -2.36978600   -2.39322800
 H                 -2.65743800   -3.89322100   -1.52988900
 Os                 0.05736200   -0.30386900   -0.02402500
 H                 -0.30330000    2.83065800    0.81130300
 H                  0.66491400    4.10459200    0.05780300
 H                  0.14449600   -1.93441300    0.10964700
 H                  0.08491900   -0.83388100   -1.82672900
 C                 -1.46204500    4.42694100   -0.11672900
 H                 -1.52338700    5.05779200    0.77641500
 H                 -1.41438400    5.08917900   -0.98919100
 H                 -2.39589400    3.85814100   -0.18796700
78
 t3a 
 H                 -0.00038300    0.92980300    1.20660500
 H                  0.12546300   -0.86030900    1.52960100
 H                  0.23623400    1.18887400   -2.24774600
 H                 -0.07860000    3.33680700   -2.14285100
 P                  2.43496000   -0.19931400    0.11583200
 P                 -2.26990800   -0.52024200    0.12937800
 N                  0.01900700    1.47335400   -1.29595600
 C                 -0.16919400    2.74437700   -1.22685900
 C                 -0.51619800    3.49022000    0.01804200
 C                  3.16863200    0.72383700    1.58635200
 H                  4.25820800    0.63653700    1.51183400
 C                  2.79608000    2.21266200    1.55466000
 H                  3.17556600    2.72562600    0.66531700
 H                  3.21595000    2.72350000    2.42977200
 H                  1.70937100    2.33062400    1.58136400
 C                  2.71989600    0.09556600    2.91327100
 H                  3.00468700   -0.95754700    2.99859300
 H                  1.63344500    0.15862300    3.01920100
 H                  3.17946800    0.62939500    3.75411300
 C                  3.24522700    0.69832000   -1.34027600
 H                  2.72214500    1.66161800   -1.28696700
 C                  4.75235300    0.98090700   -1.26147200
 H                  5.04803900    1.47671300   -0.33326300
 H                  5.04835300    1.63819700   -2.08912300
 H                  5.33990400    0.06340800   -1.35580100
 C                  2.88962200    0.07124600   -2.69854400
 H                  1.85795100   -0.28882800   -2.72745300
 H                  3.53760100   -0.78009900   -2.92657800
 H                  3.03033100    0.80584600   -3.50133500
 C                  3.19650100   -1.91761900    0.30034300
 H                  2.59518200   -2.30452200    1.13236000
 C                  2.91367300   -2.81832900   -0.91198000
 H                  1.88286900   -2.71952200   -1.25839500
 H                  3.08594500   -3.86725300   -0.64176400
 H                  3.58240100   -2.58704900   -1.74685600
 C                  4.67729900   -2.00256200    0.69793600
 H                  4.91203900   -1.43807900    1.60410900
 H                  5.33569200   -1.64712100   -0.09985000
 H                  4.94283300   -3.04924700    0.89215900
 C                 -3.07674400   -0.12910000    1.79009100
 H                 -4.15641200   -0.25226900    1.65064800
 C                 -2.62280800   -1.09798400    2.89058200
 H                 -2.91856900   -2.13149400    2.68807800
 H                 -3.07323800   -0.81163800    3.84882600
 H                 -1.53513800   -1.07320800    3.00797400
 C                 -2.81104800    1.31974100    2.22207400
 H                 -3.09883100    2.05129400    1.46060600
 H                 -1.74984400    1.46231100    2.44136900
 H                 -3.38280600    1.54905400    3.12968500
 C                 -3.20763600    0.62990300   -1.04116000
 H                 -2.70190200    1.57873900   -0.82945800
 C                 -4.71017000    0.84482300   -0.80887800
 H                 -4.93784500    1.19616300    0.20073800
 H                 -5.28872400   -0.06577000   -0.98513000
 H                 -5.08381100    1.60535200   -1.50666200
 C                 -2.93049800    0.29426200   -2.51477700
 H                 -1.88945200    0.00485300   -2.68006500
 H                 -3.15402600    1.16189800   -3.14805100
 H                 -3.56492200   -0.52798200   -2.85970500
 C                 -2.84786400   -2.29932400   -0.15087300
 H                 -2.30058000   -2.80694000    0.65351500
 C                 -4.34634300   -2.58331600    0.03065100
 H                 -4.75201200   -2.19096700    0.96686300
 H                 -4.51788700   -3.66690700    0.03167900
 H                 -4.93514200   -2.16820200   -0.79307200
 C                 -2.34839600   -2.90880900   -1.46886600
 H                 -1.28869200   -2.70473600   -1.62730900
 H                 -2.90366700   -2.52645100   -2.33035500
 H                 -2.49278500   -3.99617100   -1.44665300
 Os                 0.07584800   -0.25492300    0.02550800
 H                 -0.66581500    2.77185100    0.82522500
 H                  0.34799300    4.11385100    0.28973000
 H                  0.18011700   -1.86898700    0.16525400
 H                  0.12791800   -0.98805100   -1.50198900
 C                 -1.74497500    4.39334900   -0.16842800
 H                 -1.95057600    4.95018700    0.75070000
 H                 -1.59404300    5.12104400   -0.97401400
 H                 -2.63770400    3.80817600   -0.41190100
78
 7t2+H2b 
 H                  0.10827000   -1.62191700    1.03649800
 H                  0.11601900   -1.84755900   -0.65206500
 H                 -0.05744500    0.28952900   -4.49488800
 H                 -0.07563700    3.04215500    1.98751500
 P                  2.42121400   -0.30435400    0.03212600
 P                 -2.31337300   -0.51420900    0.04233600
 N                 -0.02129300    1.46072700    0.68882000
 C                 -0.06037300    2.69894700    0.94175400
 C                 -0.10617200    3.78321800   -0.11615800
 C                  3.20601100   -0.38466600    1.74158900
 H                  4.29295200   -0.37960300    1.60127500
 C                  2.81739200    0.83259200    2.59383000
 H                  3.20304300    1.77122300    2.18512200
 H                  3.22725700    0.72458900    3.60531500
 H                  1.72951600    0.92041800    2.67290800
 C                  2.81380100   -1.68173800    2.46488900
 H                  3.06516100   -2.58036600    1.89389200
 H                  1.73764600   -1.70553700    2.66070700
 H                  3.33735900   -1.74409900    3.42646900
 C                  3.11159300    1.30759300   -0.65672700
 H                  2.67862500    2.02366900    0.05277300
 C                  4.63638800    1.47666100   -0.64119800
 H                  5.08217500    1.24621000    0.33056800
 H                  4.89713200    2.51492600   -0.88120600
 H                  5.11650200    0.84299700   -1.39295000
 C                  2.53331900    1.66158200   -2.03590500
 H                  1.45033700    1.52681400   -2.06279200
 H                  2.96935200    1.05174300   -2.83181500
 H                  2.75342300    2.71036600   -2.26950500
 C                  3.18261700   -1.77964600   -0.85704400
 H                  2.59451600   -2.59807400   -0.42438500
 C                  2.88635600   -1.75861600   -2.36388700
 H                  1.84237100   -1.51076800   -2.56896600
 H                  3.09051100   -2.74573600   -2.79520100
 H                  3.52420100   -1.03916600   -2.88701400
 C                  4.66991000   -2.06548600   -0.60035900
 H                  4.90449300   -2.18421600    0.46060100
 H                  5.31555600   -1.27983400   -1.00181200
 H                  4.95056300   -3.00132200   -1.09910000
 C                 -3.07180700   -0.69485800    1.75658000
 H                 -4.15786400   -0.76629100    1.62755400
 C                 -2.57706900   -1.97677300    2.44373100
 H                 -2.77666700   -2.87846800    1.85747400
 H                 -3.07625400   -2.09577200    3.41284600
 H                 -1.49831000   -1.92989100    2.62022100
 C                 -2.76270800    0.52682700    2.63508100
 H                 -3.21752800    1.44550800    2.25302600
 H                 -1.68302900    0.69045300    2.70755100
 H                 -3.15376600    0.36607000    3.64693300
 C                 -3.15769200    1.03625800   -0.61332100
 H                 -2.82263100    1.76939800    0.13030800
 C                 -4.69178800    1.03973100   -0.63550700
 H                 -5.13543500    0.70768500    0.30750400
 H                 -5.07995900    0.40154300   -1.43501500
 H                 -5.05745500    2.05578800   -0.82896200
 C                 -2.58879900    1.49653800   -1.96424600
 H                 -1.49750400    1.49580400   -1.95942900
 H                 -2.92916600    2.51653400   -2.18091500
 H                 -2.92439900    0.85996900   -2.78737500
 C                 -2.94870100   -2.03346100   -0.87090100
 H                 -2.29255500   -2.80793000   -0.45543000
 C                 -4.40631200   -2.44728800   -0.61737800
 H                 -4.63307200   -2.58554900    0.44280300
 H                 -4.60324100   -3.40415700   -1.11612300
 H                 -5.11619300   -1.72065200   -1.02105300
 C                 -2.66110300   -1.95801500   -2.37761300
 H                 -1.63830800   -1.63182600   -2.57943700
 H                 -3.35058700   -1.27449400   -2.88333600
 H                 -2.79591100   -2.94734800   -2.83093100
 Os                 0.05074800   -0.32911500    0.05081900
 H                 -0.02537600    3.30996800   -1.09953600
 H                  0.76928400    4.43782500    0.00481600
 H                 -0.06237400    0.18089900   -3.75815000
 H                  0.04933900   -0.38612400   -1.55904000
 C                 -1.38164200    4.63333000   -0.03296100
 H                 -1.37485900    5.42887700   -0.78602100
 H                 -2.27305600    4.01960400   -0.19969900
 H                 -1.48176100    5.10579700    0.95108300
78
 TS2-4 
 H                  0.05701300   -0.19353800    1.46362700
 H                  0.15873300   -1.74173000    0.66090600
 H                  0.44058900   -0.00841700   -2.38491100
 H                 -0.17287500    2.69528900    1.62224500
 P                  2.43886800   -0.25381100    0.04810300
 P                 -2.28882200   -0.55115900    0.03660100
 N                 -0.05825600    1.66590000   -0.18032000
 C                 -0.15288200    2.71777000    0.51411400
 C                 -0.31162100    4.10862500   -0.07347000
 C                  3.04680900   -0.24629600    1.82961500
 H                  4.14224400   -0.24321600    1.79271300
 C                  2.58535600    1.00985200    2.58301200
 H                  3.00362900    1.92990500    2.16544700
 H                  2.90610600    0.95268900    3.63021500
 H                  1.49506100    1.09733500    2.56751100
 C                  2.58972900   -1.50871000    2.57665700
 H                  2.89856300   -2.43384100    2.08160600
 H                  1.50049000   -1.53081300    2.66802900
 H                  3.01573000   -1.51662600    3.58705700
 C                  3.24948300    1.29681800   -0.65692500
 H                  2.86872100    2.06387000    0.02765200
 C                  4.78381900    1.33504900   -0.62182700
 H                  5.19954900    1.05032800    0.34893800
 H                  5.13348800    2.35106200   -0.84176000
 H                  5.21547200    0.67569300   -1.38107200
 C                  2.72253200    1.67222400   -2.05060900
 H                  1.63725900    1.78773400   -2.03821900
 H                  2.99510900    0.93616000   -2.81245400
 H                  3.15678600    2.63232000   -2.35638700
 C                  3.27428200   -1.78447300   -0.67329500
 H                  2.62539600   -2.57128600   -0.26975000
 C                  3.14332200   -1.83263400   -2.20241200
 H                  2.11973100   -1.63016000   -2.52882200
 H                  3.41884700   -2.82873200   -2.56843500
 H                  3.81277800   -1.11361700   -2.68543700
 C                  4.71828000   -2.08627100   -0.24357500
 H                  4.84304600   -2.11798200    0.84167600
 H                  5.42883000   -1.35759600   -0.64104800
 H                  5.01256800   -3.06987100   -0.63014500
 C                 -2.90774400   -0.63721600    1.81256600
 H                 -3.99390300   -0.77539800    1.76388500
 C                 -2.29947800   -1.83728800    2.55441100
 H                 -2.48469300   -2.78976800    2.04954200
 H                 -2.72873600   -1.90857300    3.56087400
 H                 -1.21694400   -1.72140100    2.65555400
 C                 -2.62199800    0.66053600    2.58236900
 H                 -3.14036000    1.52563500    2.15958600
 H                 -1.55068300    0.88143600    2.59316300
 H                 -2.95725900    0.55604000    3.62133700
 C                 -3.27827800    0.89652700   -0.65695100
 H                 -2.99172800    1.69519300    0.03693100
 C                 -4.80631200    0.75478000   -0.62461600
 H                 -5.18600000    0.40715500    0.34040100
 H                 -5.15874400    0.06335100   -1.39631600
 H                 -5.27216200    1.72725300   -0.82630500
 C                 -2.79692700    1.34895800   -2.04422900
 H                 -1.73401400    1.59603800   -2.02508800
 H                 -3.34476300    2.25130400   -2.34350100
 H                 -2.97451800    0.59353700   -2.81518000
 C                 -2.92543400   -2.16454500   -0.70623600
 H                 -2.18640200   -2.86965100   -0.30660300
 C                 -4.32415300   -2.64628600   -0.29145600
 H                 -4.44699800   -2.71841600    0.79203200
 H                 -4.49755400   -3.64855100   -0.70224100
 H                 -5.11519100   -1.99827500   -0.67639200
 C                 -2.78072900   -2.17786300   -2.23477900
 H                 -1.79093700   -1.83935800   -2.55220800
 H                 -3.53600200   -1.54736800   -2.71486100
 H                 -2.92032000   -3.19718500   -2.61366400
 Os                 0.07115800   -0.32213100   -0.11685400
 H                 -0.10940300    4.06370600   -1.14943300
 H                  0.43153500    4.78344800    0.37667800
 H                 -0.31634100   -0.04437600   -2.38624000
 H                  0.16072400   -1.76585500   -0.94492700
 C                 -1.71788300    4.67312100    0.18024900
 H                 -1.81117900    5.70394100   -0.17978500
 H                 -2.47580700    4.06855800   -0.33030500
 H                 -1.95639000    4.67176700    1.25076200
78
 t4 
 H                  0.03534300    0.10643700    1.41360800
 H                  0.14641900   -1.59458200    0.88734700
 H                  0.49678200   -0.33699700   -1.91142000
 H                 -0.20003700    2.56090500    1.39336600
 P                  2.44222200   -0.23938800    0.07102700
 P                 -2.29409800   -0.54103100    0.05953300
 N                 -0.05354100    1.70180100   -0.50703300
 C                 -0.15980200    2.67820800    0.28946200
 C                 -0.30474800    4.12098900   -0.16180100
 C                  3.04254400   -0.04631500    1.84238600
 H                  4.13732900   -0.07665100    1.80267900
 C                  2.62115300    1.29616900    2.45563900
 H                  3.04196100    2.15489700    1.92525700
 H                  2.96899600    1.35201500    3.49405500
 H                  1.53266500    1.40007200    2.45877300
 C                  2.55709500   -1.20647300    2.72458000
 H                  2.83160900   -2.18843500    2.32830700
 H                  1.46923900   -1.18158000    2.83006000
 H                  2.99717200   -1.12035100    3.72524000
 C                  3.24136200    1.22895900   -0.79520400
 H                  2.83958700    2.06398900   -0.20985300
 C                  4.77406800    1.28971500   -0.73787300
 H                  5.17377900    1.13323500    0.26827200
 H                  5.11645200    2.27587100   -1.07387800
 H                  5.22802600    0.54870900   -1.40297000
 C                  2.73112600    1.43376400   -2.23010000
 H                  1.64553800    1.55307300   -2.23951700
 H                  3.01352500    0.61370200   -2.89634800
 H                  3.16904200    2.35200800   -2.64088200
 C                  3.28279600   -1.83750200   -0.48106200
 H                  2.62682900   -2.57929700   -0.00940300
 C                  3.17752800   -2.04319800   -1.99922500
 H                  2.16521300   -1.85801100   -2.36790000
 H                  3.43938800   -3.07706900   -2.25310700
 H                  3.86907900   -1.39058700   -2.54123300
 C                  4.71916800   -2.09726500   -0.00109100
 H                  4.82106400   -2.04685000    1.08573200
 H                  5.43564700   -1.39828000   -0.43907400
 H                  5.02383100   -3.10626700   -0.30511900
 C                 -2.91677200   -0.50226500    1.83392400
 H                 -3.99816700   -0.67159000    1.78341800
 C                 -2.28934600   -1.62800100    2.66987100
 H                 -2.43721500   -2.61906400    2.23072100
 H                 -2.73706100   -1.64039200    3.67063200
 H                 -1.21339100   -1.47056300    2.78222100
 C                 -2.67614200    0.85550100    2.50783900
 H                 -3.20137100    1.67482700    2.00928000
 H                 -1.61025500    1.09915700    2.52780300
 H                 -3.03474400    0.82072000    3.54366400
 C                 -3.25858200    0.86093800   -0.74457900
 H                 -2.92610800    1.71156200   -0.13852000
 C                 -4.78847700    0.77155200   -0.65508200
 H                 -5.14867700    0.54227300    0.35189600
 H                 -5.18526700    0.01393500   -1.33783000
 H                 -5.22982600    1.73183300   -0.94826500
 C                 -2.80432100    1.16044700   -2.18152400
 H                 -1.73396400    1.37485800   -2.21411500
 H                 -3.33194400    2.04954500   -2.54882600
 H                 -3.03314700    0.34278500   -2.87080500
 C                 -2.93656500   -2.20414000   -0.56158200
 H                 -2.20649300   -2.88146900   -0.10199900
 C                 -4.34044500   -2.63998300   -0.11454600
 H                 -4.45760800   -2.64919900    0.97183100
 H                 -4.53032800   -3.66129700   -0.46664300
 H                 -5.12400700   -2.00314600   -0.53243100
 C                 -2.78926700   -2.34936500   -2.08326500
 H                 -1.80192700   -2.03576400   -2.43243700
 H                 -3.54749300   -1.76793700   -2.61715500
 H                 -2.92418400   -3.39889400   -2.36994500
 Os                 0.07257600   -0.35274500   -0.13993100
 H                 -0.10105100    4.17476200   -1.23710700
 H                  0.44321500    4.74284600    0.35325300
 H                 -0.34387000   -0.38423700   -1.91307900
 H                  0.17858700   -1.94504100   -0.60193000
 C                 -1.70627000    4.66985200    0.14538300
 H                 -1.79160000    5.73255600   -0.10823700
 H                 -2.46850400    4.12659300   -0.42481400
 H                 -1.94753600    4.56318300    1.21013300
78
 TS4-3b 
 H                  0.05760400   -0.11411600    1.55288100
 H                  0.15761600   -1.66733700    0.83837100
 H                 -0.01825500    1.02715600   -1.45713700
 H                 -0.18166900    2.75702300    1.51223000
 P                  2.44526400   -0.26992100    0.04847400
 P                 -2.29156500   -0.57716900    0.03976300
 N                 -0.07151200    1.77371000   -0.29336500
 C                 -0.17123700    2.82052200    0.40578100
 C                 -0.33907600    4.21888300   -0.14887600
 C                  3.14621600   -0.49228400    1.78129800
 H                  4.23606000   -0.42960800    1.68719700
 C                  2.67652900    0.63022600    2.71887300
 H                  2.92461800    1.62802400    2.34512400
 H                  3.15186800    0.51878900    3.70079600
 H                  1.59268100    0.58791800    2.85850200
 C                  2.79644500   -1.86368600    2.37445100
 H                  3.19944200   -2.69248100    1.78486400
 H                  1.71290400   -1.99397400    2.44607100
 H                  3.21440300   -1.94870300    3.38477500
 C                  3.20722600    1.37386900   -0.48248300
 H                  2.56618100    2.07752000    0.06129500
 C                  4.66364000    1.64652500   -0.07726300
 H                  4.83092600    1.56613400    0.99959100
 H                  4.93548300    2.66864300   -0.36924800
 H                  5.36350000    0.97105100   -0.57638400
 C                  3.00957700    1.65877900   -1.97938200
 H                  2.01031000    1.39072600   -2.32838200
 H                  3.73949600    1.11596100   -2.58805300
 H                  3.15668400    2.72762700   -2.17414700
 C                  3.25297400   -1.68267900   -0.90421000
 H                  2.78528800   -2.54294100   -0.40860700
 C                  2.81954400   -1.73559500   -2.37761000
 H                  1.74128700   -1.60353400   -2.48752900
 H                  3.08777600   -2.70934800   -2.80481700
 H                  3.32119300   -0.97034900   -2.97603500
 C                  4.77709900   -1.82291300   -0.78430900
 H                  5.13050100   -1.79853700    0.25017600
 H                  5.29674500   -1.03503700   -1.33786100
 H                  5.09504400   -2.78075800   -1.21408100
 C                 -2.96338200   -0.90774900    1.76736900
 H                 -4.05239100   -0.97783600    1.66998400
 C                 -2.45042500   -2.23412800    2.34435400
 H                 -2.75604000   -3.09793500    1.74644600
 H                 -2.85111200   -2.37932700    3.35475600
 H                 -1.35869100   -2.23664300    2.41096400
 C                 -2.63814200    0.25226300    2.72058300
 H                 -2.99446200    1.21889000    2.35253800
 H                 -1.55862300    0.33381900    2.87424100
 H                 -3.10915000    0.07748900    3.69533600
 C                 -3.26009100    0.95986700   -0.47376900
 H                 -2.71259900    1.73440100    0.07484200
 C                 -4.73784200    1.04703200   -0.06305900
 H                 -4.89069400    0.93784500    1.01335200
 H                 -5.35211100    0.29656000   -0.56752700
 H                 -5.13292800    2.03118400   -0.34464200
 C                 -3.10476500    1.28009600   -1.96835200
 H                 -2.07737300    1.15990700   -2.31812500
 H                 -3.40101800    2.31871500   -2.15775900
 H                 -3.75084600    0.64395600   -2.58166900
 C                 -2.91125100   -2.06885200   -0.93271700
 H                 -2.35818200   -2.87355000   -0.43186100
 C                 -4.41122000   -2.38250700   -0.84278300
 H                 -4.78489300   -2.40696300    0.18463500
 H                 -4.60992600   -3.36667200   -1.28449300
 H                 -5.00598100   -1.65412300   -1.40215000
 C                 -2.44711000   -2.06350900   -2.39760500
 H                 -1.38466200   -1.82784500   -2.48314000
 H                 -3.00658500   -1.34251300   -2.99968000
 H                 -2.61206000   -3.05372200   -2.83942800
 Os                 0.07242000   -0.32596900   -0.05686900
 H                 -0.18453800    4.18940600   -1.23302900
 H                  0.43175100    4.87384100    0.28268500
 H                  0.04630600    0.14528900   -1.86963300
 H                  0.16796700   -1.79915100   -0.76877800
 C                 -1.72599000    4.79203800    0.18176200
 H                 -1.91263700    4.77919500    1.26208900
 H                 -1.82185700    5.82819700   -0.15989900
 H                 -2.51546200    4.20456200   -0.29993800
78
 t3b 
 H                  0.03283100    0.35481000    1.58298800
 H                  0.16286500   -1.47300000    1.18299800
 H                 -0.06300700    1.95508700   -1.47987200
 H                 -0.27397700    2.72114600    1.29343400
 P                  2.43787900   -0.25336000    0.06999600
 P                 -2.26598000   -0.59750200    0.07071600
 N                 -0.08215500    1.76766300   -0.47721100
 C                 -0.23594400    2.83963300    0.21105100
 C                 -0.42785400    4.21379400   -0.35496500
 C                  3.22419400    0.08933100    1.74855800
 H                  4.31059700    0.03258900    1.61817700
 C                  2.87083600    1.49307200    2.25916100
 H                  3.26431400    2.28735400    1.61698600
 H                  3.29260800    1.64534500    3.26012800
 H                  1.78503500    1.61069500    2.32965500
 C                  2.80048400   -0.97047300    2.77529900
 H                  3.05721100   -1.98724900    2.46213600
 H                  1.72016600   -0.93402300    2.93959500
 H                  3.30203700   -0.78501700    3.73316200
 C                  3.17836900    1.13447800   -0.98316500
 H                  2.69255200    2.00474600   -0.52352400
 C                  4.69713900    1.34597200   -0.90660000
 H                  5.07041100    1.41315100    0.11874500
 H                  4.96894900    2.28038600   -1.41397000
 H                  5.23851300    0.53955600   -1.40992100
 C                  2.71888800    1.09663400   -2.44951100
 H                  1.66401400    0.82765200   -2.54107500
 H                  3.29204500    0.36928700   -3.03129500
 H                  2.87482800    2.07758600   -2.91606500
 C                  3.22284900   -1.90095300   -0.41579100
 H                  2.63183700   -2.58599100    0.20453100
 C                  2.94014400   -2.26522900   -1.88137700
 H                  1.90538500   -2.05118600   -2.15777800
 H                  3.12366900   -3.33474900   -2.04023500
 H                  3.60148600   -1.72056400   -2.56290300
 C                  4.70700900   -2.11343400   -0.08340500
 H                  4.93423900   -1.95931800    0.97450400
 H                  5.35692600   -1.45489000   -0.66649100
 H                  4.99033600   -3.14492100   -0.32747000
 C                 -3.08840200   -0.46232900    1.76137400
 H                 -4.15849800   -0.64752300    1.61609400
 C                 -2.53698700   -1.52128500    2.72622900
 H                 -2.67253000   -2.54162500    2.35472000
 H                 -3.05106600   -1.45220400    3.69280300
 H                 -1.46781700   -1.36567600    2.89443000
 C                 -2.91697300    0.94010600    2.36210700
 H                 -3.37521000    1.72298300    1.74951600
 H                 -1.85460800    1.17358200    2.48246000
 H                 -3.38834800    0.98435500    3.35150500
 C                 -3.20141300    0.72580600   -0.90660500
 H                 -2.81282700    1.63082200   -0.42321200
 C                 -4.73176800    0.75580800   -0.78792300
 H                 -5.08132500    0.74872500    0.24772800
 H                 -5.19337800   -0.09038300   -1.30470400
 H                 -5.12155500    1.66903800   -1.25589600
 C                 -2.77746100    0.79581100   -2.38234500
 H                 -1.70297700    0.64293300   -2.50839900
 H                 -3.04648100    1.77260100   -2.80380800
 H                 -3.28808700    0.03620500   -2.98127500
 C                 -2.80954600   -2.31253000   -0.50275100
 H                 -2.15061700   -2.93790700    0.11266800
 C                 -4.26144200   -2.73096600   -0.22868600
 H                 -4.54383000   -2.63570500    0.82295300
 H                 -4.39598000   -3.78441100   -0.50417200
 H                 -4.97313200   -2.15044200   -0.82248400
 C                 -2.43992300   -2.58121700   -1.96984400
 H                 -1.43419600   -2.22615300   -2.20519500
 H                 -3.14654500   -2.10104300   -2.65430300
 H                 -2.47862800   -3.65884200   -2.16999900
 Os                 0.08007100   -0.32152300    0.03943900
 H                 -0.25189300    4.20109300   -1.43760400
 H                  0.31658100    4.88705100    0.09038700
 H                  0.08823700   -0.43485900   -1.64565200
 H                  0.19301000   -1.86610500   -0.45308300
 C                 -1.83897600    4.74665300   -0.04850400
 H                 -2.03562600    4.74802800    1.02885300
 H                 -1.95291000    5.77209200   -0.41287000
 H                 -2.60373600    4.12782200   -0.52930000
78 
 TS3a-6      
 H                  0.05696700    0.97642900    1.26162200
 H                 -0.10294300   -0.78508700    1.52691100
 H                 -0.60667700    1.39381100   -2.17175800
 H                 -1.38631000    2.90999200   -0.75065500
 P                  2.32956000   -0.43270900    0.11173400
 P                 -2.38526800   -0.28231300    0.10652700
 N                  0.13296700    1.72451200   -1.55110900
 C                 -0.33086200    2.61049200   -0.73198500
 C                  0.54985700    3.45299100    0.13792600
 C                  3.16406500    0.02023300    1.74297700
 H                  4.23164000   -0.19346200    1.62111300
 C                  3.00901400    1.50965900    2.07472600
 H                  3.42956200    2.16021900    1.30183300
 H                  3.52982200    1.73987200    3.01234200
 H                  1.95341900    1.76521500    2.20200900
 C                  2.62928900   -0.83068200    2.90397200
 H                  2.78414400   -1.90263800    2.75089200
 H                  1.55768900   -0.66196000    3.04493700
 H                  3.14148600   -0.55614800    3.83428600
 C                  3.27521600    0.61574200   -1.14159500
 H                  2.82842500    1.59938400   -0.95763000
 C                  4.79601100    0.73894200   -0.97146700
 H                  5.09212900    1.07314500    0.02647500
 H                  5.18607900    1.47367300   -1.68737000
 H                  5.30685900   -0.20682400   -1.17278700
 C                  2.92041800    0.24257800   -2.58949400
 H                  1.85462300    0.03747700   -2.70217200
 H                  3.48174800   -0.63459800   -2.92515400
 H                  3.18071100    1.07085800   -3.25967300
 C                  2.84777600   -2.24749000   -0.06605400
 H                  2.22432400   -2.70103600    0.71469600
 C                  2.41664800   -2.88163100   -1.39752100
 H                  1.40320600   -2.58927200   -1.67670900
 H                  2.44745900   -3.97473700   -1.31059000
 H                  3.09159500   -2.60450200   -2.21244700
 C                  4.31343100   -2.59703300    0.23326700
 H                  4.65364400   -2.23819300    1.20790100
 H                  4.99007000   -2.19811000   -0.52794600
 H                  4.43588500   -3.68736600    0.23086200
 C                 -3.21402300    0.54556200    1.58591100
 H                 -4.28729500    0.34000400    1.51035500
 C                 -2.69900400   -0.03882700    2.90950300
 H                 -2.85033300   -1.11983300    2.98321400
 H                 -3.22677600    0.42509700    3.75172600
 H                 -1.62991900    0.15866300    3.02593800
 C                 -3.01281000    2.06646600    1.57608600
 H                 -3.43179200    2.54437900    0.68477900
 H                 -1.94798700    2.30955200    1.63285500
 H                 -3.50691800    2.51529900    2.44627400
 C                 -3.30704300    0.51276500   -1.34915000
 H                 -2.91368900    1.53643800   -1.30860300
 C                 -4.83680200    0.61517600   -1.25817600
 H                 -5.18165000    1.06724300   -0.32457500
 H                 -5.31135900   -0.36520700   -1.35395900
 H                 -5.21454400    1.23667400   -2.07987600
 C                 -2.89179700   -0.07156000   -2.71058200
 H                 -1.82403100   -0.30232500   -2.75483000
 H                 -3.13157100    0.63655300   -3.51314700
 H                 -3.43193700   -0.99716000   -2.92772900
 C                 -2.97612700   -2.07216700    0.28979300
 H                 -2.32615600   -2.40346400    1.10871400
 C                 -4.43342800   -2.30668600    0.71496200
 H                 -4.70371400   -1.78154800    1.63441200
 H                 -4.59019600   -3.37708200    0.89760100
 H                 -5.14100300   -2.00782300   -0.06326200
 C                 -2.63295900   -2.93800700   -0.93281000
 H                 -1.63399700   -2.72377100   -1.31764100
 H                 -3.35454900   -2.78969400   -1.74205500
 H                 -2.67238000   -3.99873000   -0.65705200
 Os                -0.02318700   -0.18259600    0.04079300
 H                  1.52919800    2.98323300    0.22256400
 H                  0.11809800    3.52183300    1.14110300
 H                 -0.03427100   -0.89285700   -1.48926000
 H                 -0.05809800   -1.77772800    0.15075900
 C                  0.67048300    4.86315700   -0.46965300
 H                 -0.30896800    5.34428800   -0.57253600
 H                  1.28755200    5.49870900    0.17298200
 H                  1.13569300    4.82604100   -1.45995200
78
 t6  
 H                  0.06533800    1.04254300    1.23040400
 H                 -0.05735900   -0.67036900    1.55621400
 H                 -0.45933200    1.27470100   -2.21264300
 H                 -1.40602400    2.57451400   -0.66271400
 P                  2.33753800   -0.40699100    0.12108500
 P                 -2.38091200   -0.28559800    0.10451000
 N                  0.24686500    1.69029200   -1.60262200
 C                 -0.32187700    2.43739600   -0.69788500
 C                  0.47463200    3.42516800    0.10800500
 C                  3.16245000    0.06413700    1.75244800
 H                  4.23492200   -0.12063300    1.62683800
 C                  2.96825700    1.55166100    2.07387100
 H                  3.35129000    2.20636000    1.28529200
 H                  3.50097800    1.80780500    2.99785300
 H                  1.90843800    1.77847800    2.21841500
 C                  2.66233600   -0.79624400    2.92138900
 H                  2.88552400   -1.85883900    2.78882300
 H                  1.58087400   -0.69079600    3.05022800
 H                  3.14561600   -0.47577300    3.85238000
 C                  3.30335500    0.61200000   -1.13917300
 H                  2.81762000    1.58736700   -1.02785800
 C                  4.81180600    0.79464400   -0.91611500
 H                  5.05322900    1.22044600    0.06120900
 H                  5.20894500    1.48269100   -1.67329600
 H                  5.36094100   -0.14531600   -1.01631800
 C                  3.02222100    0.14834000   -2.57638400
 H                  1.96746000   -0.09017100   -2.72557600
 H                  3.61950100   -0.73190900   -2.83455800
 H                  3.29297200    0.94343200   -3.28150700
 C                  2.84705300   -2.22568000   -0.02846700
 H                  2.29279200   -2.65329100    0.81658400
 C                  2.32247800   -2.92458300   -1.29223900
 H                  1.27124900   -2.69923400   -1.47458700
 H                  2.42698300   -4.01056800   -1.17675500
 H                  2.89097600   -2.63820600   -2.18120000
 C                  4.33741100   -2.54433900    0.16450700
 H                  4.76380900   -2.10032300    1.06776900
 H                  4.93167200   -2.20901500   -0.69074100
 H                  4.47334200   -3.63016000    0.24189900
 C                 -3.23097900    0.54253400    1.57196100
 H                 -4.29908300    0.31290600    1.49291300
 C                 -2.71061600   -0.01831300    2.90384100
 H                 -2.84557100   -1.10034600    2.99126900
 H                 -3.24790500    0.44800000    3.73859400
 H                 -1.64508200    0.19688500    3.02197700
 C                 -3.06485400    2.06769500    1.55267400
 H                 -3.47364900    2.52895300    0.64792000
 H                 -2.00821600    2.33797100    1.63434500
 H                 -3.59021900    2.51115300    2.40707500
 C                 -3.31183700    0.46135100   -1.37047100
 H                 -2.93316000    1.49129500   -1.36089000
 C                 -4.84287700    0.54529900   -1.27942300
 H                 -5.19213500    1.01681800   -0.35717900
 H                 -5.30515100   -0.44312800   -1.34963200
 H                 -5.22948600    1.14086400   -2.11590500
 C                 -2.89027500   -0.15298000   -2.71666100
 H                 -1.81850700   -0.36471500   -2.75928200
 H                 -3.14422800    0.52981400   -3.53629700
 H                 -3.41496400   -1.09315600   -2.90696800
 C                 -2.93101800   -2.08546000    0.31633300
 H                 -2.27897300   -2.38678000    1.14505000
 C                 -4.38555700   -2.34359900    0.73751300
 H                 -4.67307600   -1.80948500    1.64637900
 H                 -4.52030000   -3.41395200    0.93681300
 H                 -5.09400400   -2.07282000   -0.05003100
 C                 -2.56365300   -2.96858000   -0.88701600
 H                 -1.57240400   -2.73471500   -1.27986600
 H                 -3.29106600   -2.86068600   -1.69733900
 H                 -2.57190500   -4.02317200   -0.58628200
 Os                -0.01835000   -0.13898700    0.03866000
 H                  1.50222200    3.07097400    0.19748600
 H                  0.05719300    3.51326000    1.11496000
 H                 -0.02001800   -0.89265400   -1.46975900
 H                 -0.07504900   -1.72997900    0.21981000
 C                  0.43880400    4.79553800   -0.59240600
 H                  0.99767800    5.53538600   -0.01051700
 H                  0.88618400    4.73579700   -1.58983900
 H                 -0.58726900    5.16569600   -0.70246700
78
 TS6-5 
 H                  0.02904500    1.30586500    1.01708000
 H                 -0.08099300   -0.38689700    1.66055700
 H                 -0.69653700    1.36621900   -2.03037200
 H                 -1.23011000    2.63494600   -0.26791900
 P                  2.31663600   -0.42297300    0.11618000
 P                 -2.39730400   -0.25531100    0.10191900
 N                  0.14193000    1.62210600   -1.50995100
 C                 -0.18568100    2.36589500   -0.45376400
 C                  0.80219200    3.36877900    0.09660800
 C                  3.17252700   -0.03293600    1.75443600
 H                  4.24186000   -0.21931500    1.60696300
 C                  2.99289800    1.43905700    2.14451300
 H                  3.40265800    2.12474100    1.39733100
 H                  3.51006400    1.64166200    3.09029300
 H                  1.93390200    1.67633000    2.28002700
 C                  2.67999400   -0.94184400    2.88990200
 H                  2.91185400   -1.99643300    2.71647100
 H                  1.59766800   -0.85098800    3.02347000
 H                  3.16200000   -0.65366200    3.83196100
 C                  3.29368700    0.59796300   -1.13409800
 H                  2.83005000    1.58117100   -1.00712100
 C                  4.80600600    0.75189700   -0.91840300
 H                  5.05837800    1.15880900    0.06452900
 H                  5.21082000    1.44479200   -1.66699400
 H                  5.33908800   -0.19537300   -1.03491600
 C                  2.98611500    0.16362900   -2.57499000
 H                  1.92039400   -0.02699400   -2.71646700
 H                  3.54687100   -0.73521700   -2.84967800
 H                  3.28227400    0.95739200   -3.27141400
 C                  2.77756200   -2.25021500   -0.09273100
 H                  2.23341300   -2.68562200    0.75440700
 C                  2.21169700   -2.91333700   -1.35777300
 H                  1.16203300   -2.66144200   -1.51130700
 H                  2.29456200   -4.00328400   -1.26380600
 H                  2.76661400   -2.62307500   -2.25386400
 C                  4.26520300   -2.60303700    0.05809900
 H                  4.72245400   -2.18754000    0.95966400
 H                  4.84531300   -2.26093200   -0.80414200
 H                  4.38033300   -3.69282300    0.10859800
 C                 -3.25445100    0.43346400    1.63717500
 H                 -4.33159700    0.31734100    1.47681000
 C                 -2.87349500   -0.33845900    2.90800100
 H                 -3.19092600   -1.38459100    2.87655300
 H                 -3.35521400    0.12120200    3.77951400
 H                 -1.79161700   -0.31738000    3.07072400
 C                 -2.95607200    1.92770100    1.82117800
 H                 -3.23729300    2.52595300    0.94854200
 H                 -1.89174300    2.08693800    2.01666100
 H                 -3.51769800    2.31889000    2.67787200
 C                 -3.29521800    0.65362400   -1.29836700
 H                 -2.78646900    1.62736000   -1.29383000
 C                 -4.79591800    0.93816600   -1.13373500
 H                 -5.02140400    1.52062700   -0.23681600
 H                 -5.38513900    0.01878600   -1.09399000
 H                 -5.15471200    1.51742900   -1.99377700
 C                 -3.01864000   -0.00059000   -2.66299100
 H                 -1.98383700   -0.34303300   -2.76049100
 H                 -3.22402700    0.71007100   -3.47218500
 H                 -3.66974100   -0.86552100   -2.82072000
 C                 -2.98477400   -2.05314000    0.12736600
 H                 -2.48032600   -2.40103600    1.03720800
 C                 -4.49453200   -2.28412900    0.29383200
 H                 -4.93517800   -1.71017300    1.11315100
 H                 -4.68163600   -3.34433500    0.50371800
 H                 -5.03992600   -2.04025400   -0.62296300
 C                 -2.44549800   -2.91352000   -1.02614700
 H                 -1.38348000   -2.73930400   -1.20093800
 H                 -2.98138300   -2.72382700   -1.96017000
 H                 -2.58469500   -3.97407500   -0.78318100
 Os                -0.03213500   -0.09818200    0.06208700
 H                  1.80781100    2.95094300    0.05619300
 H                  0.57162900    3.58652200    1.14433900
 H                 -0.04511100   -0.98055300   -1.35287000
 H                 -0.07315900   -1.66831500    0.43469600
 C                  0.73294200    4.65761300   -0.73713000
 H                  1.42911800    5.40633500   -0.34523500
 H                  0.99520700    4.45768800   -1.78081200
 H                 -0.27196400    5.09587600   -0.71770000
78
 t5 
 H                 -0.01288500    1.65043800    0.85097100
 H                 -0.09085000   -0.51798100    1.68302300
 H                 -0.71453100    1.58391800   -1.87715700
 H                 -1.12761700    2.72791600   -0.02608300
 P                  2.31710500   -0.42981800    0.10772600
 P                 -2.40596700   -0.25721600    0.09619400
 N                  0.12590300    1.55565500   -1.30474300
 C                 -0.10948100    2.32811400   -0.12728900
 C                  0.89927000    3.45337100    0.13747500
 C                  3.17578400   -0.07174900    1.75173700
 H                  4.25279400   -0.17958100    1.58328800
 C                  2.90188900    1.36796400    2.20387700
 H                  3.25100400    2.10821700    1.47950600
 H                  3.41620300    1.56934200    3.15129700
 H                  1.83095500    1.52884000    2.36418100
 C                  2.76132500   -1.05848700    2.85265300
 H                  3.08331600   -2.08224900    2.64256500
 H                  1.67522700   -1.06465600    2.98755000
 H                  3.21856700   -0.76345800    3.80480600
 C                  3.25749300    0.63714700   -1.12773600
 H                  2.73421900    1.59116000   -1.01606700
 C                  4.75521700    0.87310200   -0.88967600
 H                  4.96387800    1.32061200    0.08602400
 H                  5.13821300    1.56675800   -1.64893100
 H                  5.34095200   -0.04677400   -0.96816100
 C                  2.98800000    0.18091800   -2.56853800
 H                  1.92891800   -0.03639200   -2.72539500
 H                  3.57656500   -0.70474100   -2.82833700
 H                  3.27236800    0.97774400   -3.26627800
 C                  2.79761200   -2.24045200   -0.16002300
 H                  2.31806800   -2.70632100    0.70928000
 C                  2.17745900   -2.90195600   -1.40068300
 H                  1.10525400   -2.71605800   -1.46783600
 H                  2.33221000   -3.98673600   -1.34581600
 H                  2.64036200   -2.55502200   -2.32746800
 C                  4.30281600   -2.54290000   -0.10318400
 H                  4.79719000   -2.11756300    0.77408600
 H                  4.81608000   -2.17071800   -0.99511900
 H                  4.46008800   -3.62804200   -0.07155200
 C                 -3.25859600    0.27361400    1.69507800
 H                 -4.33713500    0.23208100    1.50930100
 C                 -2.93891200   -0.66279200    2.86883000
 H                 -3.33381400   -1.67172900    2.71947200
 H                 -3.38945900   -0.27094900    3.78873900
 H                 -1.85907600   -0.74103900    3.02803300
 C                 -2.89006600    1.71995100    2.05610500
 H                 -3.11239900    2.42607700    1.25022500
 H                 -1.82550900    1.80228000    2.29541400
 H                 -3.45535500    2.04204200    2.93864400
 C                 -3.26690500    0.81678000   -1.20228700
 H                 -2.71257400    1.75975900   -1.10735200
 C                 -4.75308500    1.14967300   -1.00427600
 H                 -4.94827100    1.66167400   -0.05841800
 H                 -5.38421000    0.25816500   -1.04032100
 H                 -5.08758400    1.81814900   -1.80747500
 C                 -3.01429400    0.28270700   -2.62205500
 H                 -1.98708500   -0.06955700   -2.75708900
 H                 -3.20413200    1.07095800   -3.36018200
 H                 -3.68814700   -0.54755600   -2.85454900
 C                 -3.02218700   -2.03479700   -0.08206000
 H                 -2.57916500   -2.48577600    0.81428300
 C                 -4.54496500   -2.22931000   -0.02146900
 H                 -5.01501600   -1.71821200    0.82279500
 H                 -4.77546800   -3.29718900    0.07573000
 H                 -5.02655600   -1.88039600   -0.94010400
 C                 -2.44206200   -2.79698500   -1.28337900
 H                 -1.35972200   -2.68514900   -1.35102700
 H                 -2.87849100   -2.46666100   -2.22938600
 H                 -2.66811900   -3.86501400   -1.17698000
 Os                -0.03702900   -0.11556100    0.08627400
 H                  1.91112500    3.04736800    0.08288000
 H                  0.75868300    3.84186700    1.15492200
 H                 -0.06535700   -1.01242900   -1.25651800
 H                 -0.05785600   -1.70089000    0.37297000
 C                  0.73473000    4.57578900   -0.88826700
 H                  1.45813900    5.38017100   -0.71731400
 H                  0.88487900    4.18808200   -1.90080900
 H                 -0.26926900    5.01555900   -0.83966300
78
 TS3b-5 
 H                  0.10342400    1.28970100    1.07162600
 H                 -0.02018500   -0.53085300    1.62817300
 H                  0.94046600    1.80642400   -1.70507600
 H                 -1.26624200    2.53328300    0.00301400
 P                  2.31837100   -0.41608700    0.10671300
 P                 -2.39452700   -0.29391500    0.09648800
 N                 -0.01543000    1.65920100   -1.37928400
 C                 -0.22842800    2.39207400   -0.28757700
 C                  0.70050200    3.49676100    0.16877400
 C                  3.19700000    0.03265900    1.71589500
 H                  4.25333700   -0.22115000    1.57576000
 C                  3.10299400    1.53223200    2.02139000
 H                  3.54781600    2.15116600    1.23619900
 H                  3.63610100    1.75838500    2.95284500
 H                  2.06016900    1.83597600    2.14931900
 C                  2.66111600   -0.77933500    2.90412400
 H                  2.75203900   -1.85915300    2.75606900
 H                  1.60602500   -0.55535900    3.08467300
 H                  3.22300900   -0.52440000    3.81088600
 C                  3.30627900    0.56564900   -1.17428400
 H                  2.95905700    1.58664000   -0.96476300
 C                  4.83682600    0.57979800   -1.05519300
 H                  5.18517200    0.87838700   -0.06299700
 H                  5.25551200    1.29442000   -1.77490900
 H                  5.26906400   -0.39764600   -1.28437700
 C                  2.88039000    0.22381500   -2.61346300
 H                  1.80405600    0.05208900   -2.70086700
 H                  3.38811600   -0.67676400   -2.96948200
 H                  3.15742000    1.03947000   -3.29239000
 C                  2.76445100   -2.25099900   -0.05275700
 H                  2.11974700   -2.67030800    0.72916000
 C                  2.31446600   -2.87846600   -1.38080700
 H                  1.31041400   -2.55740400   -1.66256300
 H                  2.31076000   -3.97125800   -1.28724700
 H                  2.99887900   -2.62860600   -2.19686500
 C                  4.21311700   -2.65870000    0.25661600
 H                  4.56633800   -2.30229800    1.22733200
 H                  4.90968400   -2.30257000   -0.50742400
 H                  4.28547200   -3.75322100    0.27008700
 C                 -3.25697200    0.28321600    1.67367200
 H                 -4.33081800    0.12759500    1.52355400
 C                 -2.81633200   -0.53571000    2.89536500
 H                 -3.05686900   -1.59859700    2.80181000
 H                 -3.32226900   -0.16451000    3.79493100
 H                 -1.73718100   -0.44844200    3.05309400
 C                 -3.02271500    1.77726000    1.93562600
 H                 -3.35562400    2.40961500    1.10645700
 H                 -1.96185000    1.97453900    2.11944100
 H                 -3.57853000    2.09275100    2.82673800
 C                 -3.27452000    0.70466400   -1.24354300
 H                 -2.83838600    1.69856200   -1.08739000
 C                 -4.79988400    0.84938300   -1.14584100
 H                 -5.13254900    1.23236100   -0.17703900
 H                 -5.31314100   -0.09922900   -1.32518600
 H                 -5.14967900    1.55501600   -1.90983500
 C                 -2.85121800    0.26571500   -2.65379400
 H                 -1.77311900    0.10327700   -2.71213400
 H                 -3.11746700    1.04603900   -3.37705600
 H                 -3.36641600   -0.64933800   -2.96031500
 C                 -2.95257900   -2.10029200    0.01079600
 H                 -2.37619900   -2.51770600    0.84575300
 C                 -4.44060800   -2.38589500    0.26560900
 H                 -4.82045400   -1.93006300    1.18333100
 H                 -4.59214600   -3.46855500    0.35616200
 H                 -5.06540600   -2.04444500   -0.56450900
 C                 -2.48779600   -2.83388800   -1.25680700
 H                 -1.44798800   -2.60988000   -1.49846300
 H                 -3.10509600   -2.57557600   -2.12195900
 H                 -2.58010500   -3.91642200   -1.10585200
 Os                -0.03255000   -0.10678500    0.05905400
 H                  1.73758800    3.15987100    0.09146700
 H                  0.51125600    3.72989700    1.22125600
 H                 -0.06788000   -0.93946900   -1.37573200
 H                 -0.07110900   -1.69844000    0.31373500
 C                  0.48515000    4.75149200   -0.69293000
 H                  1.13316500    5.56646600   -0.35462000
 H                  0.71088500    4.55091100   -1.74542400
 H                 -0.55151000    5.10148600   -0.63474100
78
 TS5-7 
 H                  0.41106400    2.00586500    1.31650400
 H                 -0.16444300   -1.24330400    1.40020500
 H                 -0.65152500    1.94474100   -1.37256100
 H                 -1.02239100    2.80570800    0.70574600
 P                  2.33749500   -0.45546600    0.06064100
 P                 -2.40204500   -0.32551000    0.06761400
 N                  0.11808200    1.70218600   -0.75530100
 C                  0.01730900    2.54898600    0.43143400
 C                  0.81570200    3.86394900    0.33161000
 C                  3.16358400   -0.34512500    1.75287500
 H                  4.24534700   -0.31746500    1.58366300
 C                  2.75035600    0.95397500    2.46024500
 H                  2.89195400    1.84280400    1.83799600
 H                  3.33932900    1.09038400    3.37503100
 H                  1.69529800    0.91498100    2.75259300
 C                  2.84474300   -1.55488300    2.64278100
 H                  3.28126200   -2.48230900    2.26164800
 H                  1.76361100   -1.70261600    2.73577800
 H                  3.25102000   -1.39490700    3.64889200
 C                  3.19346200    0.89260600   -0.93258000
 H                  2.56676100    1.75171800   -0.67251000
 C                  4.65575500    1.21851100   -0.60321000
 H                  4.80003100    1.50965700    0.44105800
 H                  4.98557800    2.06503000   -1.21882300
 H                  5.33019700    0.38346000   -0.81428400
 C                  2.99575100    0.68325300   -2.44077700
 H                  1.96587100    0.40168300   -2.67574400
 H                  3.67082400   -0.08251200   -2.83714100
 H                  3.21311500    1.61687500   -2.97348000
 C                  2.92928300   -2.14334100   -0.54246300
 H                  2.50974500   -2.79915900    0.23005400
 C                  2.31149600   -2.59434700   -1.87579100
 H                  1.22651600   -2.47819200   -1.88039100
 H                  2.53850700   -3.65497400   -2.03967600
 H                  2.71554000   -2.04061300   -2.72635000
 C                  4.45297400   -2.33411100   -0.56802900
 H                  4.93663800   -2.05549600    0.37232600
 H                  4.91294900   -1.74935300   -1.37048300
 H                  4.69232300   -3.38757700   -0.75838700
 C                 -3.20403800   -0.21154400    1.77035300
 H                 -4.28310900   -0.10098700    1.61871500
 C                 -2.97001900   -1.46460100    2.62520600
 H                 -3.45268600   -2.35245100    2.20696500
 H                 -3.38669900   -1.31122600    3.62794600
 H                 -1.90218700   -1.67844600    2.73390800
 C                 -2.68253100    1.03747600    2.49571900
 H                 -2.86550200    1.95754000    1.93309500
 H                 -1.60320000    0.96260700    2.67117500
 H                 -3.17112400    1.14386400    3.47153100
 C                 -3.20722700    1.10872800   -0.86197200
 H                 -2.59585100    1.95065900   -0.51602600
 C                 -4.67031100    1.45211300   -0.54835400
 H                 -4.82769300    1.69327300    0.50648200
 H                 -5.35513800    0.64276200   -0.81406200
 H                 -4.96920300    2.33505200   -1.12708800
 C                 -2.98542700    0.98033800   -2.37792800
 H                 -1.97577000    0.63532500   -2.62175000
 H                 -3.13654400    1.95137600   -2.86429300
 H                 -3.69847700    0.27984500   -2.82397700
 C                 -3.09620300   -1.95260200   -0.58792800
 H                 -2.69639600   -2.65344500    0.15525300
 C                 -4.62751700   -2.07002300   -0.59308700
 H                 -5.08436900   -1.78167600    0.35756800
 H                 -4.91822000   -3.10828400   -0.79393900
 H                 -5.07026100   -1.45454800   -1.38217300
 C                 -2.52157200   -2.38530300   -1.94587300
 H                 -1.43134300   -2.34097200   -1.95690900
 H                 -2.89614500   -1.76986400   -2.76769900
 H                 -2.81999700   -3.42042200   -2.15209400
 Os                -0.03835800   -0.25763000    0.09269800
 H                  1.87758300    3.62769800    0.19003200
 H                  0.73099700    4.40853500    1.28354100
 H                 -0.12548300   -0.78128000   -1.39977300
 H                  0.02453100   -1.86336500   -0.05578900
 C                  0.33025700    4.74333600   -0.82038900
 H                  0.90202700    5.67555000   -0.88757800
 H                  0.43432300    4.21331200   -1.77275600
 H                 -0.72730100    5.01002600   -0.69476500
78
 t7      
 H                 -1.90366100    2.32843800   -0.64148700
 H                  0.10988700   -0.81479700    1.51969900
 H                  0.99604300    2.20505500   -0.57523400
 H                 -0.85031500    2.98170200   -1.88784700
 P                  2.46238000   -0.19560000    0.08577800
 P                 -2.24463400   -0.59955200    0.11202200
 N                  0.09119700    1.75576900   -0.44428900
 C                 -0.91261100    2.74781800   -0.81001100
 C                 -0.78060600    4.05800800   -0.02176900
 C                  3.21649500    0.60008600    1.62001000
 H                  4.30529300    0.49942400    1.54155100
 C                  2.87129200    2.09415500    1.71308700
 H                  3.30951700    2.68013800    0.89921000
 H                  3.25891000    2.50824500    2.65164000
 H                  1.78734900    2.24719300    1.69967600
 C                  2.74477600   -0.12127800    2.89230200
 H                  2.94950100   -1.19553900    2.87648300
 H                  1.66676500    0.00530800    3.02953000
 H                  3.25085800    0.29950100    3.76944100
 C                  3.29608500    0.76573000   -1.31212500
 H                  3.05521400    1.80446900   -1.04979400
 C                  4.82440000    0.66109500   -1.40554600
 H                  5.32329300    0.83022300   -0.44690700
 H                  5.20710800    1.40909200   -2.11079500
 H                  5.13304900   -0.31968700   -1.77924400
 C                  2.63920000    0.49527400   -2.67528700
 H                  1.55657900    0.63202300   -2.62867200
 H                  2.83349400   -0.52110000   -3.02847100
 H                  3.04378400    1.18742800   -3.42435600
 C                  3.17049100   -1.94469000    0.12639900
 H                  2.50954200   -2.40899300    0.86744800
 C                  2.94546200   -2.67963300   -1.20359700
 H                  1.92275500   -2.55556300   -1.56697000
 H                  3.12890500   -3.75237600   -1.06974500
 H                  3.63566300   -2.32856100   -1.97766300
 C                  4.62054400   -2.12185700    0.60372500
 H                  4.80542400   -1.67691400    1.58462800
 H                  5.34418200   -1.70062300   -0.09798000
 H                  4.84075500   -3.19308100    0.69048300
 C                 -3.11966400    0.02533100    1.66319700
 H                 -4.17054800   -0.27926000    1.58942400
 C                 -2.50873000   -0.59883200    2.92832000
 H                 -2.49452200   -1.69177600    2.90682400
 H                 -3.08345400   -0.29253300    3.81069000
 H                 -1.47684900   -0.26046700    3.06225000
 C                 -3.06262700    1.55524300    1.77401300
 H                 -3.60235200    2.05963500    0.96733500
 H                 -2.02567500    1.90534000    1.76504500
 H                 -3.51817600    1.87900000    2.71760700
 C                 -3.32501400    0.10672900   -1.27209900
 H                 -3.40521400    1.16240800   -0.99145600
 C                 -4.75685600   -0.43272600   -1.39040900
 H                 -5.29652700   -0.40780200   -0.43900100
 H                 -4.77349300   -1.45988900   -1.76477100
 H                 -5.32359200    0.17937200   -2.10304800
 C                 -2.59782400    0.06068100   -2.62464800
 H                 -1.59430400    0.48656900   -2.55090000
 H                 -3.16284900    0.62872400   -3.37412600
 H                 -2.49484400   -0.96333200   -2.99569300
 C                 -2.57691700   -2.46455500    0.18370500
 H                 -1.80877500   -2.77482100    0.90048200
 C                 -3.93812100   -2.94624800    0.71223400
 H                 -4.19798200   -2.51925700    1.68377200
 H                 -3.90458100   -4.03540700    0.84090000
 H                 -4.75599500   -2.73042300    0.02186700
 C                 -2.24911400   -3.14991100   -1.15186400
 H                 -1.27659000   -2.83717300   -1.53802000
 H                 -3.00876200   -2.93912300   -1.91129600
 H                 -2.22361300   -4.23771900   -1.01413500
 Os                 0.09397900   -0.19265900    0.02410300
 H                 -0.84943800    3.83173600    1.04965300
 H                  0.22282600    4.47612000   -0.18633200
 H                  0.12950100   -1.09612100   -1.30063700
 H                  0.22660800   -1.83936300    0.22030700
 C                 -1.84085200    5.09105700   -0.41015100
 H                 -2.85159200    4.71208400   -0.21694900
 H                 -1.72316900    6.02111500    0.15599300
 H                 -1.78173900    5.34144900   -1.47611100
80
 t7+H2 
 H                  0.09219800   -0.53484900    1.60354400
 H                 -0.10753700    2.31682600    3.79567700
 H                 -1.89795600    2.28467200   -0.79584700
 P                  2.46290000   -0.21086300    0.07600700
 P                 -2.25061500   -0.60063100    0.11256500
 N                  0.09577900    1.69557600   -0.63670800
 C                 -0.90709300    2.69213100   -0.99254000
 C                 -0.74446700    4.00706900   -0.21724300
 C                  3.23497100    0.66314100    1.55651500
 H                  4.32279400    0.55969900    1.47053000
 C                  2.88512200    2.15870600    1.56523100
 H                  3.34082100    2.70092100    0.73084700
 H                  3.24974400    2.62359700    2.48895300
 H                  1.80224900    2.30823400    1.51866600
 C                  2.78180600    0.00962700    2.87157200
 H                  2.99971400   -1.06137200    2.91353000
 H                  1.70456100    0.13149200    3.01283300
 H                  3.29087100    0.48498600    3.71852500
 C                  3.29059300    0.66642100   -1.38031300
 H                  3.04626700    1.71777100   -1.17898600
 C                  4.81940600    0.56541900   -1.47185900
 H                  5.32024400    0.79748100   -0.52748400
 H                  5.19449200    1.27157700   -2.22290600
 H                  5.13431500   -0.43410400   -1.78593500
 C                  2.63329800    0.31347900   -2.72454500
 H                  1.54856400    0.43306600   -2.68107700
 H                  2.84598500   -0.71572400   -3.02587700
 H                  3.02205000    0.97325300   -3.51036200
 C                  3.16416600   -1.95852400    0.20391800
 H                  2.50858200   -2.38185900    0.97361900
 C                  2.93033400   -2.76357800   -1.08314500
 H                  1.90577700   -2.65903600   -1.44749000
 H                  3.11485300   -3.82752700   -0.89274600
 H                  3.61580300   -2.45479500   -1.87909700
 C                  4.61826500   -2.11382000    0.67695100
 H                  4.81586900   -1.61298700    1.62781900
 H                  5.33592700   -1.73763200   -0.05576200
 H                  4.83497500   -3.17910700    0.82406600
 C                 -3.15582300    0.09145200    1.61583500
 H                 -4.20742700   -0.20731600    1.52958000
 C                 -2.58151100   -0.48614900    2.91946700
 H                 -2.59428800   -1.57887600    2.94803700
 H                 -3.16435300   -0.12532300    3.77540500
 H                 -1.54519200   -0.16590600    3.05863000
 C                 -3.08477800    1.62417700    1.65834500
 H                 -3.62109900    2.09464500    0.82920600
 H                 -2.04536800    1.96371300    1.63203800
 H                 -3.53532200    1.99511100    2.58679500
 C                 -3.30770300    0.03837200   -1.32191500
 H                 -3.39753900    1.10510000   -1.09046500
 C                 -4.73526900   -0.51156400   -1.44321700
 H                 -5.29354500   -0.44689400   -0.50454300
 H                 -4.74164200   -1.55404400   -1.77268700
 H                 -5.28967600    0.06649900   -2.19307900
 C                 -2.55533800   -0.06663300   -2.65741600
 H                 -1.55680100    0.37092400   -2.58668600
 H                 -3.11038100    0.46013600   -3.44358600
 H                 -2.43848900   -1.10660100   -2.97637200
 C                 -2.58433900   -2.46188800    0.26271000
 H                 -1.83414900   -2.73609600    1.01247300
 C                 -3.95782700   -2.92058600    0.78118000
 H                 -4.25123000   -2.43592600    1.71515900
 H                 -3.92085500   -3.99923600    0.97900400
 H                 -4.75572800   -2.75662600    0.05415500
 C                 -2.22679900   -3.21387400   -1.02882400
 H                 -1.24645900   -2.92009500   -1.40966800
 H                 -2.96930600   -3.04318300   -1.81496600
 H                 -2.20392200   -4.29324300   -0.83550700
 Os                 0.09108400   -0.19294000    0.02751100
 H                  0.25689300    4.41696700   -0.41200800
 H                 -0.78495400    3.78673400    0.85656900
 H                  0.13771400   -1.33245200   -1.10553000
 H                  0.21218300   -1.78395700    0.51281300
 H                 -0.04809900    1.92504800    3.16602100
 H                  1.00175200    2.13005500   -0.80591000
 H                 -0.86602700    2.91514200   -2.07357000
 C                 -1.80783800    5.04569000   -0.58085500
 H                 -2.81500000    4.67637700   -0.35357200
 H                 -1.66552800    5.97832100   -0.02458100
 H                 -1.77946400    5.28882900   -1.64973400
80
 TS7-8 
 H                  0.18855300   -1.35509600    1.30352500
 H                  0.37365500    0.68727500    2.23019400
 H                 -1.89115800    2.45209000   -0.09447700
 P                  2.46490300   -0.21994400    0.06887000
 P                 -2.25068400   -0.61342400    0.08941100
 N                  0.09090400    1.85195100   -0.25911100
 C                 -0.96925900    2.79073800   -0.57339000
 C                 -0.66911800    4.21076400   -0.06965400
 C                  3.36365500    0.27920300    1.64789300
 H                  4.43378100    0.12048200    1.47334800
 C                  3.14436100    1.76497700    1.97368500
 H                  3.65791800    2.42283500    1.26633500
 H                  3.53804100    1.99253800    2.97127300
 H                  2.08178200    2.03061600    1.96145700
 C                  2.93484500   -0.60843500    2.82652300
 H                  3.07142000   -1.67450300    2.62427900
 H                  1.88084000   -0.45853400    3.07545900
 H                  3.52793500   -0.36004700    3.71460600
 C                  3.25544500    0.93176300   -1.20456400
 H                  3.05183600    1.91717300   -0.76622300
 C                  4.77662300    0.81274600   -1.37763600
 H                  5.31836500    0.82847300   -0.42766000
 H                  5.14777400    1.65197300   -1.97851900
 H                  5.04620300   -0.10567100   -1.90752000
 C                  2.54918300    0.90205300   -2.56999500
 H                  1.47074600    1.03564700   -2.46796200
 H                  2.72377700   -0.03690000   -3.10187900
 H                  2.93784600    1.71175500   -3.19999700
 C                  3.08970400   -1.97575500   -0.23721900
 H                  2.43906600   -2.54164800    0.43948400
 C                  2.78160200   -2.44751900   -1.66675600
 H                  1.75991600   -2.20335400   -1.96711000
 H                  2.90239600   -3.53532300   -1.73205100
 H                  3.47144400   -2.00226200   -2.39094200
 C                  4.54832100   -2.29182100    0.12934700
 H                  4.78587700   -2.06399600    1.17136600
 H                  5.26156100   -1.75737800   -0.50249000
 H                  4.72931300   -3.36419200   -0.01406300
 C                 -3.25275200   -0.25583200    1.64904500
 H                 -4.26913600   -0.61925000    1.45923200
 C                 -2.68413900   -1.02161700    2.85489500
 H                 -2.62304800   -2.09967300    2.68478800
 H                 -3.32124800   -0.86057700    3.73257300
 H                 -1.67758700   -0.67654300    3.10625000
 C                 -3.34100800    1.24405900    1.96568100
 H                 -3.86283400    1.80709500    1.18654700
 H                 -2.34980100    1.68980500    2.09718200
 H                 -3.89661300    1.39351400    2.89941400
 C                 -3.26576500    0.25891600   -1.24759300
 H                 -3.32472500    1.27960100   -0.85796600
 C                 -4.70466000   -0.23485500   -1.45725600
 H                 -5.26765000   -0.32286000   -0.52354500
 H                 -4.72806400   -1.20544500   -1.96077600
 H                 -5.24551900    0.47208100   -2.09835200
 C                 -2.51716500    0.34284300   -2.58732700
 H                 -1.49706600    0.70621600   -2.45412700
 H                 -3.04365600    1.02921400   -3.26177200
 H                 -2.46317000   -0.62929000   -3.08550600
 C                 -2.52506700   -2.47831700   -0.13268300
 H                 -1.77872900   -2.87642700    0.56350200
 C                 -3.89187600   -3.06763100    0.25296000
 H                 -4.18964200   -2.83243100    1.27731600
 H                 -3.84088600   -4.16114900    0.17874300
 H                 -4.69245100   -2.73776900   -0.41222300
 C                 -2.12925800   -2.94811600   -1.54165200
 H                 -1.17295200   -2.52795400   -1.86094700
 H                 -2.88960700   -2.67855200   -2.28140200
 H                 -2.03823600   -4.04092200   -1.55513700
 Os                 0.09280000   -0.17220700    0.15720500
 H                  0.26502700    4.56401600   -0.53072900
 H                 -0.48157200    4.16474500    1.01131100
 H                  0.12148100   -0.47529800   -1.40313300
 H                  0.17368500   -1.74661700   -0.22993200
 H                 -0.38308600    0.68725000    2.17442200
 H                  0.95491400    2.23687700   -0.62935500
 H                 -1.19391100    2.85815100   -1.65752500
 C                 -1.79635000    5.20205100   -0.36950300
 H                 -2.73155100    4.89506000    0.11489100
 H                 -1.55608400    6.21017700   -0.01418700
 H                 -1.99149500    5.26832400   -1.44675800
80
 t8 
 H                  0.15651700   -1.41305600    1.34941500
 H                  0.44822600    0.62730700    1.73262200
 H                 -0.74583000    2.88820500    1.02912300
 P                  2.44492800   -0.31593000    0.05359200
 P                 -2.30147400   -0.55338400    0.07711900
 N                  0.25131200    1.84142100   -0.46636800
 C                 -0.70461000    2.85913400   -0.07138100
 C                 -0.31631100    4.25771400   -0.57246000
 C                  3.36191800    0.24030300    1.59934500
 H                  4.42965300    0.09422500    1.40232900
 C                  3.12998900    1.72996800    1.89248000
 H                  3.50442600    2.37732900    1.09566300
 H                  3.64645900    2.00964700    2.81844000
 H                  2.06662300    1.95508600    2.02002200
 C                  2.97694600   -0.61833000    2.81324800
 H                  3.18045500   -1.68223900    2.65971400
 H                  1.91294100   -0.51746600    3.04858600
 H                  3.54758700   -0.29730200    3.69268400
 C                  3.14426400    0.81691300   -1.27077000
 H                  2.69104000    1.76158300   -0.94699100
 C                  4.66984900    0.97664800   -1.31949800
 H                  5.11168500    1.21129600   -0.34748100
 H                  4.92801500    1.79920200   -1.99806700
 H                  5.16063500    0.07768900   -1.70489500
 C                  2.59062400    0.52853200   -2.67517300
 H                  1.51549500    0.33551300   -2.66210200
 H                  3.08098500   -0.33215500   -3.13951100
 H                  2.77334100    1.39400500   -3.32324100
 C                  3.06063600   -2.08139800   -0.18471300
 H                  2.49965200   -2.59806000    0.60400500
 C                  2.61398000   -2.68434000   -1.52603100
 H                  1.57109500   -2.45383400   -1.75413900
 H                  2.72113300   -3.77510700   -1.49358700
 H                  3.23393900   -2.32317500   -2.35188100
 C                  4.55783900   -2.33717800    0.04345800
 H                  4.90376100   -2.00738300    1.02650900
 H                  5.17625200   -1.84673300   -0.71336600
 H                  4.75693500   -3.41379700   -0.02390900
 C                 -3.25535000   -0.31667100    1.68406400
 H                 -4.28670900   -0.62834500    1.48336000
 C                 -2.68050800   -1.20947800    2.79465800
 H                 -2.65399200   -2.26734200    2.51888900
 H                 -3.28936700   -1.11721400    3.70168000
 H                 -1.65717600   -0.91319300    3.04334300
 C                 -3.28443800    1.14656300    2.14607800
 H                 -3.78222900    1.80766500    1.43179800
 H                 -2.27499300    1.53613000    2.31354400
 H                 -3.82790900    1.22283300    3.09527000
 C                 -3.27611900    0.52109700   -1.13002900
 H                 -3.29388900    1.48256200   -0.60633100
 C                 -4.73242600    0.11242200   -1.39297400
 H                 -5.30079200   -0.05494700   -0.47334000
 H                 -4.79498700   -0.79392200   -2.00193800
 H                 -5.24121400    0.90961400   -1.94854600
 C                 -2.51851500    0.75413300   -2.44577000
 H                 -1.50284100    1.10597000   -2.25784300
 H                 -3.04244100    1.51033900   -3.04307500
 H                 -2.45409200   -0.15542100   -3.04935500
 C                 -2.66484100   -2.36546100   -0.34543000
 H                 -1.93678200   -2.87443200    0.29598900
 C                 -4.05594400   -2.92573700   -0.00728800
 H                 -4.32491800   -2.79785300    1.04409900
 H                 -4.06277200   -4.00397100   -0.20956300
 H                 -4.84696300   -2.48017800   -0.61386000
 C                 -2.29689900   -2.69069800   -1.80170200
 H                 -1.31703000   -2.29344800   -2.07591700
 H                 -3.03798000   -2.29090500   -2.50095200
 H                 -2.27228700   -3.77766000   -1.94399800
 Os                 0.06250300   -0.23240500    0.21073400
 H                 -0.26959700    4.23762600   -1.67149000
 H                  0.69959200    4.48440000   -0.22444900
 H                  0.06645800   -0.55132000   -1.38813500
 H                  0.05187900   -1.81004100   -0.12863700
 H                 -0.41205700    0.62734800    1.70061000
 H                  0.32763700    1.86787300   -1.48076700
 H                 -1.74878000    2.67244800   -0.39411500
 C                 -1.28890600    5.35032700   -0.12118000
 H                 -1.33459900    5.41030700    0.97321700
 H                 -0.99274000    6.33754600   -0.49311800
 H                 -2.30573400    5.15253100   -0.48179800
80
 TS8-9 
 H                  0.18014900   -1.64905300    0.92539400
 H                  0.02736500    0.99599100    1.55464100
 H                 -1.89133800    2.54335300    0.12374800
 P                  2.46521200   -0.24431900    0.04376600
 P                 -2.24880000   -0.63555400    0.05010300
 N                  0.09884000    1.97729800    0.29282200
 C                 -0.91275700    2.86806200   -0.24218000
 C                 -0.70417200    4.32860900    0.18050300
 C                  3.33361200   -0.18632300    1.71500100
 H                  4.40473000   -0.32561500    1.52912000
 C                  3.14155800    1.16389400    2.42144500
 H                  3.63391900    1.98717500    1.89586000
 H                  3.57321300    1.12007100    3.42839300
 H                  2.08159700    1.41582200    2.52736400
 C                  2.83920600   -1.33105900    2.61327100
 H                  2.94824700   -2.31467000    2.14674000
 H                  1.78140000   -1.20131100    2.85898100
 H                  3.40796600   -1.34340500    3.55069200
 C                  3.27032500    1.19734700   -0.87384700
 H                  3.09734400    2.02990800   -0.18012300
 C                  4.78626500    1.09702000   -1.09609700
 H                  5.33477600    0.83895200   -0.18555800
 H                  5.17391600    2.06041900   -1.44911300
 H                  5.02791800    0.35324700   -1.86103500
 C                  2.54551900    1.55587000   -2.18140900
 H                  1.47201000    1.67900300   -2.02432900
 H                  2.68579500    0.79188000   -2.95049800
 H                  2.94716700    2.49727600   -2.57648600
 C                  3.09602100   -1.86000800   -0.70609800
 H                  2.42630800   -2.58173700   -0.22414300
 C                  2.82384700   -1.92345100   -2.21703400
 H                  1.81057300   -1.59717300   -2.46340500
 H                  2.94339700   -2.95352900   -2.57318900
 H                  3.53223900   -1.30399100   -2.77632800
 C                  4.54236400   -2.27789800   -0.39871300
 H                  4.74737400   -2.34327300    0.67278700
 H                  5.27579600   -1.59947800   -0.84069700
 H                  4.72570100   -3.27336600   -0.82152900
 C                 -3.14636700   -0.44053000    1.69646600
 H                 -4.17766700   -0.77733200    1.54073400
 C                 -2.50455400   -1.32463200    2.77813300
 H                 -2.44281600   -2.37717800    2.48798200
 H                 -3.09220600   -1.26886300    3.70225600
 H                 -1.48897700   -0.98858600    3.00504400
 C                 -3.18653200    1.02053500    2.16736800
 H                 -3.75655300    1.66466200    1.49169300
 H                 -2.17945500    1.43798000    2.26596600
 H                 -3.66744900    1.07943600    3.15118100
 C                 -3.31684300    0.39995400   -1.11649200
 H                 -3.31094900    1.37473700   -0.61944900
 C                 -4.78322800   -0.02891400   -1.26918400
 H                 -5.28554000   -0.18711300   -0.31041900
 H                 -4.87399300   -0.94675300   -1.85691900
 H                 -5.33977000    0.75125400   -1.80301300
 C                 -2.66609800    0.60592800   -2.49300000
 H                 -1.61759400    0.89366700   -2.40346800
 H                 -3.19592300    1.39807400   -3.03604100
 H                 -2.71329400   -0.29860300   -3.10550100
 C                 -2.56140800   -2.45809400   -0.37072400
 H                 -1.78040700   -2.94133400    0.22641700
 C                 -3.91112800   -3.07414400    0.03212100
 H                 -4.13022000   -2.96701700    1.09713700
 H                 -3.89153200   -4.14981000   -0.18342300
 H                 -4.74824600   -2.64960900   -0.52624300
 C                 -2.25796400   -2.76092100   -1.84678800
 H                 -1.32607700   -2.29758600   -2.17987600
 H                 -3.06612000   -2.41595700   -2.49940400
 H                 -2.16613700   -3.84387900   -1.99242900
 Os                 0.09668100   -0.22671000    0.12116900
 H                  0.28438000    4.66313200   -0.16699500
 H                 -0.67995900    4.37568100    1.27715100
 H                  0.09404300   -0.09378900   -1.49858200
 H                  0.19671700   -1.60600000   -0.70733700
 H                  0.03227500    0.21514500    1.94973600
 H                  1.01367500    2.34932300    0.06206800
 H                 -0.97543600    2.83253500   -1.34769800
 C                 -1.78471500    5.26480000   -0.36664600
 H                 -2.77964700    4.96943500   -0.01134400
 H                 -1.61773400    6.30222800   -0.05686200
 H                 -1.80848500    5.24629600   -1.46288300
80
 t9 
 H                 -0.00337400   -1.92428900    0.34873100
 H                 -0.80004700    1.87447800    1.45364300
 H                 -0.88414600    2.86303100   -0.72584200
 P                  2.35251300   -0.47415900    0.00554300
 P                 -2.35568200   -0.46842200    0.00598800
 N                  0.00332200    1.79504300    0.83200400
 C                  0.00212100    2.95148000   -0.09504600
 C                  0.03145900    4.30457100    0.61602900
 C                  3.12450100   -0.86867100    1.68266200
 H                  4.21170600   -0.87962600    1.54968900
 C                  2.77536800    0.21764800    2.71121100
 H                  3.09769900    1.21729100    2.39912900
 H                  3.26720500    0.00570200    3.66823200
 H                  1.69514400    0.23716800    2.88872100
 C                  2.68510400   -2.24590700    2.19813300
 H                  3.02168800   -3.06084900    1.55025300
 H                  1.59531500   -2.29931700    2.27305600
 H                  3.10723600   -2.42552500    3.19468200
 C                  3.26517000    1.12491000   -0.45349700
 H                  2.73698300    1.85615300    0.17350500
 C                  4.75892000    1.23243100   -0.11084900
 H                  4.96796200    1.06645300    0.94889500
 H                  5.12014700    2.23884500   -0.35782200
 H                  5.36123100    0.52439300   -0.68589500
 C                  3.02128900    1.52748900   -1.91636000
 H                  1.98684000    1.34856700   -2.21993800
 H                  3.67549900    0.96928500   -2.59263100
 H                  3.24638900    2.59178900   -2.05875200
 C                  3.01546000   -1.88419800   -1.06601400
 H                  2.45048400   -2.72175000   -0.63816400
 C                  2.59946300   -1.77906700   -2.54178100
 H                  1.55516800   -1.48065800   -2.64777400
 H                  2.72896900   -2.75271800   -3.03032900
 H                  3.21900900   -1.06047100   -3.08597800
 C                  4.51272600   -2.20916300   -0.96027300
 H                  4.86017300   -2.32239400    0.06994200
 H                  5.12569000   -1.44112900   -1.44148300
 H                  4.72043800   -3.15406800   -1.47766500
 C                 -3.12782200   -0.86679600    1.68205500
 H                 -4.21504300   -0.87634000    1.54911300
 C                 -2.68981200   -2.24599400    2.19342300
 H                 -3.02534200   -3.05856100    1.54201100
 H                 -3.11387600   -2.42899600    3.18853500
 H                 -1.60019500   -2.30005400    2.27016700
 C                 -2.77745400    0.21621900    2.71366100
 H                 -3.10151800    1.21657900    2.40581400
 H                 -1.69683800    0.23621000    2.88872100
 H                 -3.26692200    0.00026900    3.67100300
 C                 -3.26509800    1.13421400   -0.44668000
 H                 -2.73715300    1.86069800    0.18611200
 C                 -4.75949000    1.24204000   -0.10698700
 H                 -4.97193800    1.06676000    0.95057500
 H                 -5.36176300    0.54071500   -0.69026600
 H                 -5.11779900    2.25148800   -0.34570000
 C                 -3.01730800    1.54521100   -1.90655500
 H                 -1.98201200    1.36835600   -2.20841200
 H                 -3.24236500    2.61025900   -2.04347200
 H                 -3.66949700    0.99075300   -2.58780300
 C                 -3.02177800   -1.87330400   -1.07033100
 H                 -2.45602400   -2.71296100   -0.64768500
 C                 -4.51889100   -2.19832800   -0.96281100
 H                 -4.86384500   -2.31734100    0.06758200
 H                 -4.72820800   -3.14018900   -1.48508700
 H                 -5.13276100   -1.42733800   -1.43807300
 C                 -2.60903400   -1.76106000   -2.54649600
 H                 -1.56539700   -1.46063100   -2.65339300
 H                 -3.23088100   -1.04091300   -3.08606400
 H                 -2.73819300   -2.73268000   -3.03916800
 Os                -0.00156400   -0.34002000    0.00280000
 H                  0.93045200    4.36375500    1.24557600
 H                 -0.82985000    4.37778400    1.29486900
 H                 -0.00074500    0.48248700   -1.47651300
 H                 -0.00338100   -1.37634000   -1.23266200
 H                 -0.00149500   -0.59713000    1.66684200
 H                  0.81228700    1.87074600    1.44672300
 H                  0.86364000    2.84112000   -0.75592900
 C                  0.01255200    5.47230200   -0.37296000
 H                 -0.89736300    5.45736200   -0.98378800
 H                  0.04978600    6.43518700    0.14619000
 H                  0.86932700    5.42735200   -1.05501500
    
      