69
H-Si-Mes_S0
 S                  2.76092000    0.72955200    0.15580500
 S                 -2.76132300    0.72544200    0.15573300
 Si                -5.52098800   -0.64849300    0.96997400
 Si                 5.52254600   -0.64015800    0.97039000
 C                 -0.00127400    5.00686300   -0.81779700
 C                  0.71713600   -2.63695400   -0.71955000
 C                 -0.00172200    2.18235100   -0.50044400
 C                 -6.53819000    0.33999000   -0.28137200
 C                 -1.59771000   -1.55137900   -0.25709500
 C                 -1.31247200   -0.17878900   -0.24946400
 C                  1.37387800   -3.78122600   -1.23634500
 C                  1.31345800   -0.17682800   -0.24946800
 C                 -0.00067100    4.42324300    0.45072600
 C                 -2.95491300   -1.81278900    0.13445800
 C                  1.60073400   -1.54899900   -0.25704800
 C                 -0.69394100   -4.89154100   -1.71972400
 C                 -0.71247500   -2.63802000   -0.71956800
 C                  2.95830600   -1.80838200    0.13455900
 C                 -0.00236200    3.03451100    0.62855900
 C                  0.00336200    4.15774000   -1.92825800
 C                  6.16137700   -2.41767100    1.06889300
 C                 -5.61505600    0.17715500    2.66914900
 C                 -6.15620400   -2.42713600    1.07132000
 C                  5.61468700    0.18284200    2.67095800
 C                 -3.72082600   -0.70060900    0.39930200
 C                 -0.03116400    6.50827800   -0.98697800
 C                  3.72254800   -0.69505000    0.39940700
 C                  0.70198700   -4.89050200   -1.71970100
 C                  0.00181600    2.76745800   -1.78943300
 C                  6.53780100    0.35250600   -0.27919800
 C                  0.00789300    1.89482000   -3.02779200
 C                 -0.00084400    2.47524600    2.03722200
 C                 -1.36749800   -3.78326600   -1.23638800
 B                 -0.00008800    0.60027100   -0.38172500
 H                 -6.50472500   -0.12170100   -1.27490700
 H                 -6.16447400    1.36587900   -0.38085000
 H                 -7.58962200    0.39820700    0.02624700
 H                  5.58722400   -3.01723000    1.78483600
 H                  7.20802800   -2.42816700    1.39671000
 H                  6.11673000   -2.92037000    0.09579600
 H                 -5.03230200   -0.37741900    3.41361800
 H                 -6.65189100    0.22730000    3.02418700
 H                 -5.22437500    1.20098200    2.63875900
 H                 -5.58092800   -3.02431900    1.78834500
 H                 -6.11038500   -2.93137200    0.09907300
 H                 -7.20288800   -2.43922800    1.39898000
 H                  5.03322800   -0.37433600    3.41449500
 H                  5.22161800    1.20580100    2.64225300
 H                  6.65140300    0.23481500    3.02608400
 H                  0.54851600    6.82567200   -1.86112700
 H                  0.37567900    7.01905600   -0.10761700
 H                 -1.05705500    6.87428100   -1.13030700
 H                  6.16208400    1.37783500   -0.37688800
 H                  6.50527500   -0.10750700   -1.27354100
 H                  7.58910700    0.41225100    0.02855500
 H                  0.88999500    1.24263100   -3.05795800
 H                  0.01062700    2.49983900   -3.94028900
 H                 -0.87265400    1.24083400   -3.06465000
 H                 -0.00101900    3.28057700    2.77897200
 H                  0.88149100    1.85193600    2.22479600
 H                 -0.88229300    1.85092900    2.22567700
 H                  2.45534200   -3.77324400   -1.29698300
 H                  0.00240000    5.06562800    1.32991400
 H                 -3.34874800   -2.81516000    0.25552700
 H                 -1.25138300   -5.73561400   -2.11627600
 H                  3.35365300   -2.81016000    0.25561500
 H                  0.00972000    4.58869400   -2.92839900
 H                  1.26069800   -5.73374400   -2.11623200
 H                 -2.44897000   -3.77689600   -1.29706600
69
H-Si-Mes_S1
 S                  2.80343000    0.74664400    0.16689700
 S                 -2.80338100    0.74584900    0.16686500
 Si                -5.52466600   -0.70690300    1.00052100
 Si                 5.52516100   -0.70531700    1.00047000
 C                 -0.00181100    5.03004800   -0.80005000
 C                  0.71474400   -2.58787500   -0.76467000
 C                 -0.00018600    2.19964200   -0.52385700
 C                 -6.59234200    0.25027600   -0.24078100
 C                 -1.59195800   -1.51980900   -0.23314100
 C                 -1.31188800   -0.13256200   -0.23967300
 C                  1.37026100   -3.69877800   -1.34208500
 C                  1.31221000   -0.13219600   -0.23967600
 C                 -0.00138500    4.44712100    0.48398500
 C                 -2.92718100   -1.79904200    0.18549100
 C                  1.59266900   -1.51935700   -0.23316600
 C                 -0.69513800   -4.79471900   -1.86889300
 C                 -0.71374200   -2.58807400   -0.76465400
 C                  2.92796900   -1.79820800    0.18549900
 C                 -0.00054700    3.07549300    0.64580600
 C                 -0.00104700    4.18195700   -1.94961400
 C                  6.12998900   -2.49660700    1.11069800
 C                 -5.68909800    0.11982500    2.69967900
 C                 -6.12899700   -2.49836300    1.11070500
 C                  5.68934600    0.12150200    2.69960500
 C                 -3.74190800   -0.71602400    0.44189400
 C                 -0.00348500    6.51297600   -0.98001000
 C                  3.74239600   -0.71495800    0.44185700
 C                  0.69671900   -4.79451800   -1.86892900
 C                 -0.00018600    2.81079300   -1.83575500
 C                  6.59255600    0.25212800   -0.24086500
 C                  0.00063900    1.93562700   -3.05900000
 C                 -0.00017800    2.46529900    2.01366800
 C                 -1.36896900   -3.69916900   -1.34202600
 B                  0.00005200    0.59903400   -0.38680100
 H                 -6.56428800   -0.22008700   -1.23054000
 H                 -6.24185600    1.28293400   -0.35730900
 H                 -7.63989600    0.29020900    0.08352700
 H                  5.54259800   -3.07862000    1.83035500
 H                  7.17684600   -2.52877400    1.43692800
 H                  6.07014600   -3.00434700    0.14107700
 H                 -5.10948500   -0.41907300    3.45822400
 H                 -6.73516000    0.14498600    3.03063300
 H                 -5.32272100    1.15324800    2.67812700
 H                 -5.54145300   -3.08023000    1.83035500
 H                 -6.06900400   -3.00606500    0.14107400
 H                 -7.17584900   -2.53082600    1.43692400
 H                  5.10989300   -0.41754900    3.45816200
 H                  5.32266300    1.15481500    2.67802400
 H                  6.73540000    0.14698300    3.03056000
 H                  0.87285900    6.82883400   -1.56227400
 H                 -0.00227400    7.04681300   -0.02744000
 H                 -0.88305800    6.82686300   -1.55857800
 H                  6.24177000    1.28468100   -0.35742600
 H                  6.56463600   -0.21827600   -1.23060900
 H                  7.64010000    0.29237600    0.08343800
 H                  0.87780000    1.28067600   -3.06069200
 H                  0.00052100    2.53274700   -3.97570600
 H                 -0.87574100    1.27963500   -3.06113300
 H                  0.00003600    3.23121700    2.79410800
 H                  0.87860400    1.82329000    2.13941900
 H                 -0.87901500    1.82342300    2.13984700
 H                  2.45288400   -3.68428300   -1.40037600
 H                 -0.00173400    5.09642600    1.35461300
 H                 -3.28828300   -2.81418500    0.31457700
 H                 -1.25513500   -5.62257100   -2.29612300
 H                  3.28935800   -2.81324600    0.31460500
 H                 -0.00118300    4.64661700   -2.93223700
 H                  1.25693200   -5.62220800   -2.29619100
 H                 -2.45160100   -3.68498200   -1.40026000
69
H-Si-Mes_T1
 S                  2.73377200    0.72910200    0.30080000
 S                 -2.82677000    0.70792900   -0.12993700
 Si                -5.44064100   -0.74571800    1.11813600
 Si                 5.44831600   -0.71717200    1.14303900
 C                 -0.01553800    5.07081100   -0.85108400
 C                  0.72821200   -2.55400500   -0.93907000
 C                 -0.01242700    2.24206200   -0.55261600
 C                 -6.57586400    0.05001800   -0.17017600
 C                 -1.55093300   -1.61270700   -0.22505500
 C                 -1.29736400   -0.12554000   -0.31655600
 C                  1.38514000   -3.58453300   -1.62669700
 C                  1.30959900   -0.12822300   -0.26108900
 C                 -0.12455300    4.47841100    0.40889300
 C                 -2.84415700   -1.88388800    0.27496700
 C                  1.59709900   -1.49442300   -0.35044300
 C                 -0.66127000   -4.80016200   -1.99271200
 C                 -0.69679600   -2.62996100   -0.81784800
 C                  2.91931200   -1.80057900    0.08924600
 C                 -0.12676600    3.08861300    0.57550400
 C                  0.10328600    4.22953700   -1.96114100
 C                  6.07907800   -2.50087600    1.12603200
 C                 -5.45563100    0.28840600    2.70340700
 C                 -5.99221100   -2.51824900    1.48162300
 C                  5.46597700   -0.03852900    2.90932800
 C                 -3.69112000   -0.80320500    0.43223000
 C                 -0.04926500    6.57293600   -1.01338500
 C                  3.68157400   -0.71539800    0.48485900
 C                  0.71920800   -4.69978300   -2.14497600
 C                  0.10698400    2.83796500   -1.83118100
 C                  6.53081500    0.36824900    0.03395700
 C                  0.23729400    1.97718400   -3.07105600
 C                 -0.23109800    2.51627300    1.97445600
 C                 -1.34627900   -3.77400400   -1.35491200
 B                 -0.00283800    0.66068300   -0.42225400
 H                 -6.60686000   -0.53826900   -1.09437900
 H                 -6.24170500    1.06083700   -0.43188200
 H                 -7.60127700    0.12900500    0.21162800
 H                  5.46800800   -3.15435400    1.75951400
 H                  7.10759800   -2.54463200    1.50461500
 H                  6.08334900   -2.92115400    0.11359100
 H                 -4.82339600   -0.16004100    3.47820000
 H                 -6.47331700    0.36909300    3.10529700
 H                 -5.08801200    1.30494800    2.52220700
 H                 -5.34522900   -3.00173700    2.22275500
 H                 -5.99135100   -3.13776500    0.57728100
 H                 -7.01283500   -2.52454500    1.88327100
 H                  4.85157700   -0.65298100    3.57744700
 H                  5.07475500    0.98485400    2.94824700
 H                  6.48592000   -0.02013900    3.31322800
 H                  0.58782400    6.90188900   -1.84211400
 H                  0.28834200    7.08233100   -0.10429000
 H                 -1.06618900    6.92974900   -1.22716500
 H                  6.16168500    1.40006300   -0.00003100
 H                  6.55081600   -0.00928200   -0.99486500
 H                  7.56428000    0.39747400    0.40104600
 H                  1.10827400    1.31287800   -3.01108500
 H                  0.34655700    2.59125300   -3.97110200
 H                 -0.64204000    1.33555100   -3.21150300
 H                 -0.35967200    3.31136000    2.71643000
 H                  0.66878800    1.95116100    2.24684000
 H                 -1.08230100    1.83190100    2.06809700
 H                  2.45851600   -3.51222300   -1.76514800
 H                 -0.20787800    5.11460200    1.28880000
 H                 -3.16556900   -2.89075100    0.52311300
 H                 -1.20603400   -5.65143500   -2.39113500
 H                  3.29892500   -2.81598400    0.13476300
 H                  0.19684100    4.66830800   -2.95357500
 H                  1.28052200   -5.47120500   -2.66456700
 H                 -2.42806900   -3.82461000   -1.29955000
53
OMe-H-Mes_S0
 S                 -1.49112600   -2.75797300   -0.59408100
 S                 -1.48318300    2.76676300   -0.58424500
 C                 -5.58565300    0.00059800    0.86255200
 C                  1.98323000   -0.71227300   -0.27307400
 C                 -2.82205300    0.00391000    0.19748800
 C                  0.84509500    1.60315900   -0.53986500
 C                 -0.51521300    1.31491100   -0.34796500
 C                  3.20476600   -1.37206100    0.03546700
 C                 -0.51909300   -1.30959800   -0.35257400
 C                 -5.16411000    0.00592000   -0.46856800
 C                  1.04752800    2.97182900   -0.93760000
 C                  0.84057100   -1.60101000   -0.54447800
 C                  4.38762300    0.70357600    0.32088200
 C                  1.98531400    0.71047300   -0.27128900
 C                  1.03946900   -2.96911500   -0.94598300
 C                 -3.80798500    0.00728200   -0.81689200
 C                 -4.60530700    0.00273000    1.85926900
 C                 -0.10250400    3.70366200   -1.00306900
 C                 -7.05435500   -0.03283300    1.21681600
 C                 -0.11259300   -3.69743000   -1.01448700
 C                  4.38551400   -0.71380200    0.31931900
 C                 -3.24295900    0.00256700    1.54922700
 C                 -2.22373200    0.00341100    2.66999900
 C                 -3.42732300    0.02587900   -2.28382700
 C                  3.20880000    1.36596300    0.03864500
 B                 -1.26699900    0.00348100   -0.12235200
 H                  3.19826700   -2.45009500    0.09927700
 H                 -5.91061500    0.01011000   -1.26124600
 H                  2.01021500    3.38684600   -1.20931800
 H                  2.00115500   -3.38596700   -1.21842800
 H                 -4.90915300    0.00459700    2.90508700
 H                  3.20546900    2.44386400    0.10496900
 H                 -0.21478100   -4.73338300   -1.31194000
 H                 -0.20198600    4.74078800   -1.29731600
 H                 -7.26214100    0.54645200    2.12356700
 H                 -7.39704200   -1.05957900    1.40467800
 H                 -7.67133400    0.37238800    0.40764200
 H                 -2.75069900   -0.79776100   -2.53909200
 H                 -2.91662400    0.95767900   -2.55608900
 H                 -4.31357700   -0.06316000   -2.92050900
 H                 -1.57238500   -0.87854200    2.62303300
 H                 -1.57042400    0.88373200    2.62085600
 H                 -2.71121600    0.00503300    3.65035100
 O                  5.57028500    1.29482800    0.63647800
 O                  5.56639300   -1.30925100    0.63371000
 C                  5.62288100    2.71185400    0.66859400
 H                  5.37227800    3.14663800   -0.30830400
 H                  4.94832000    3.12399200    1.43076100
 H                  6.65341700    2.96488900    0.92352400
 C                  5.61485900   -2.72649500    0.66253200
 H                  4.93906100   -3.13843700    1.42371000
 H                  5.36304200   -3.15828100   -0.31538200
 H                  6.64463900   -2.98312600    0.91692300
53
OMe-H-Mes_S1
 S                 -1.44748300   -2.77336600   -0.79658700
 S                 -1.45093100    2.77202800   -0.79390600
 C                 -5.45342800   -0.00670700    1.19036000
 C                  1.96571700   -0.72419200   -0.41489300
 C                 -2.75218000   -0.00201400    0.27860300
 C                  0.84430100    1.58959000   -0.83305600
 C                 -0.50820800    1.30928100   -0.53600700
 C                  3.11709500   -1.38466200    0.05183500
 C                 -0.50627200   -1.31021800   -0.53665900
 C                 -5.15118800   -0.00438600   -0.17245800
 C                  1.05572300    2.91316700   -1.32774900
 C                  0.84653000   -1.58883100   -0.83339600
 C                  4.26229200    0.72056200    0.46770900
 C                  1.96462800    0.72624000   -0.41462100
 C                  1.05954600   -2.91195400   -1.32889700
 C                 -3.83054100   -0.00061600   -0.63956100
 C                 -4.38752500   -0.01247300    2.09447200
 C                 -0.08019300    3.67708500   -1.37220500
 C                 -6.88511500    0.02166400    1.67423600
 C                 -0.07561500   -3.67684400   -1.37454800
 C                  4.26342900   -0.71573100    0.46723700
 C                 -3.05838200   -0.00893500    1.66186400
 C                 -1.94751600   -0.01666300    2.69210200
 C                 -3.58808900    0.00041000   -2.13593100
 C                  3.11491800    1.38807700    0.05268900
 B                 -1.23179300   -0.00094900   -0.19070100
 H                  3.09493100   -2.46459200    0.10086100
 H                 -5.96559000   -0.00680400   -0.89576100
 H                  2.02264100    3.28237600   -1.65597100
 H                  2.02697200   -3.27996600   -1.65695000
 H                 -4.59695700   -0.02129700    3.16357000
 H                  3.09119600    2.46794500    0.10230500
 H                 -0.18136800   -4.70049400   -1.70616900
 H                 -0.18705400    4.70087300   -1.70303600
 H                 -7.21532000    1.04672200    1.89271600
 H                 -7.00987300   -0.55892500    2.59556700
 H                 -7.57042100   -0.38597200    0.92298000
 H                 -4.53528700   -0.00005500   -2.68621400
 H                 -3.01769200   -0.87988400   -2.45412300
 H                 -3.01952000    0.88237700   -2.45275000
 H                 -1.30235300   -0.89716500    2.58111800
 H                 -1.29949100    0.86286800    2.59041500
 H                 -2.35060300   -0.02133600    3.71097600
 O                  5.39433100    1.29998700    0.89893800
 O                  5.39638600   -1.29366100    0.89816700
 C                  5.46362400    2.72490800    0.95551000
 H                  5.32698200    3.16295200   -0.03960600
 H                  4.71051800    3.12625000    1.64283200
 H                  6.46288200    2.95310300    1.32645700
 C                  5.46786900   -2.71849700    0.95368400
 H                  4.71538200   -3.12152100    1.64070700
 H                  5.33189900   -3.15603100   -0.04175500
 H                  6.46747400   -2.94544800    1.32446500
53
OMe-H-Mes_T1
 S                 -1.49260300   -2.68937300   -1.03760100
 S                 -1.40666500    2.82102000   -0.21366800
 C                 -5.56445700   -0.03900000    0.97169900
 C                  1.94072200   -0.69966000   -0.26116800
 C                 -2.82303500    0.00622700    0.21139400
 C                  0.91257200    1.61864300   -0.64016400
 C                 -0.51867500    1.31398600   -0.33350000
 C                  3.06799500   -1.38191400    0.20747000
 C                 -0.54910100   -1.29671000   -0.54359800
 C                 -5.18807600    0.15540800   -0.35891700
 C                  1.08456400    3.01470400   -0.95989000
 C                  0.80684600   -1.56546800   -0.69859900
 C                  4.40099200    0.64983700    0.28176400
 C                  2.00696700    0.74625100   -0.36910800
 C                  1.05090000   -2.86090800   -1.25808300
 C                 -3.84463000    0.18285400   -0.75187900
 C                 -4.55145800   -0.21895600    1.91810800
 C                 -0.02043500    3.77893700   -0.79850500
 C                 -7.01918200   -0.03188400    1.38121500
 C                 -0.09147600   -3.58248500   -1.49152800
 C                  4.28988000   -0.75873000    0.48808600
 C                 -3.20059900   -0.20016800    1.56033400
 C                 -2.14653200   -0.40134200    2.62961700
 C                 -3.51190300    0.38871100   -2.21587600
 C                  3.28926900    1.35245700   -0.11917300
 B                 -1.28416500    0.01407200   -0.18011200
 H                  2.99170600   -2.45284900    0.34304000
 H                 -5.96084100    0.28757300   -1.11475100
 H                  2.01680500    3.42915600   -1.32710600
 H                  2.04011900   -3.23292100   -1.50144900
 H                 -4.82033600   -0.37974500    2.96126800
 H                  3.35811400    2.42849500   -0.17881300
 H                 -0.17291200   -4.57650200   -1.91112100
 H                 -0.13669200    4.83707200   -0.99240600
 H                 -7.33176300    0.96149900    1.73139700
 H                 -7.20983300   -0.73573000    2.19933600
 H                 -7.67270900   -0.30104400    0.54436400
 H                 -4.42207900    0.50780400   -2.81303400
 H                 -2.95397600   -0.46109100   -2.62746400
 H                 -2.89462000    1.28194700   -2.36760900
 H                 -1.51017000   -1.26758500    2.40948900
 H                 -1.48173800    0.46817200    2.70895800
 H                 -2.60273300   -0.56232800    3.61209500
 O                  5.62022700    1.18061100    0.55260300
 O                  5.40243000   -1.38313200    0.93438700
 C                  5.79363700    2.57915700    0.37980200
 H                  5.58975900    2.88278600   -0.65525400
 H                  5.14708600    3.15016100    1.05879500
 H                  6.83893700    2.78017500    0.61951400
 C                  5.34522500   -2.78101400    1.19243800
 H                  4.58898700   -3.01603100    1.95126100
 H                  5.13278500   -3.34755000    0.27724000
 H                  6.33390400   -3.05161600    1.56555800
45
F-H-FMes_S0
 S                 -0.01089000   -1.88142500    2.14863900
 S                  0.01555200    2.77389100   -0.82447000
 C                  4.17596200   -0.32565700   -0.46621300
 C                 -3.42672000   -0.48562500    0.50704800
 C                  1.38672400   -0.00494200    0.00667400
 C                 -2.29883400    1.66962900   -0.41448900
 C                 -0.92999400    1.38183700   -0.32376800
 C                 -4.61049400   -1.26354800    0.50186600
 C                 -0.94757100   -0.85107900    1.07859700
 C                  3.72923800    0.46463100    0.58356300
 C                 -2.53219300    3.02920100   -0.81985500
 C                 -2.31765000   -1.03758200    1.30546000
 C                 -5.72933600    0.27762100   -0.94537600
 C                 -3.41752600    0.72090800   -0.25998800
 C                 -2.56083300   -1.96466900    2.37619400
 C                  2.35813000    0.61966900    0.81418700
 C                  3.24746800   -0.97739100   -1.27620400
 C                 -1.38991500    3.73266700   -1.06945800
 C                  5.64845200   -0.44662200   -0.76088500
 C                 -1.42261700   -2.48788000    2.91858100
 C                 -5.73822000   -0.89703800   -0.19626000
 C                  1.88447600   -0.82167200   -1.03873100
 C                  0.93737000   -1.62822300   -1.90084300
 C                  2.00864400    1.51823900    1.98101400
 C                 -4.59385000    1.05442200   -0.97566500
 B                 -0.19680600    0.15863100    0.21807900
 H                 -4.64681400   -2.21138600    1.02254200
 H                  4.44391400    0.95457700    1.23534900
 H                 -3.51356100    3.48199200   -0.88521500
 H                 -3.54532700   -2.20467200    2.75793700
 H                  3.58631000   -1.61182600   -2.08617100
 H                 -4.61918000    1.92608400   -1.61603800
 F                  6.04431900    0.46586600   -1.67620500
 F                  6.39683500   -0.25178700    0.34508400
 F                  5.95604000   -1.66385000   -1.25769000
 F                  0.70684300    1.46019300    2.32886600
 F                  2.29346700    2.81101900    1.70417600
 F                  2.73009300    1.18847000    3.07601400
 F                 -0.16945600   -0.92771500   -2.23850100
 F                  0.51666500   -2.74134700   -1.25907200
 F                  1.51848600   -2.02988000   -3.05073900
 F                 -6.81597500    0.62275700   -1.65376700
 F                 -6.83321800   -1.67325800   -0.18904600
 H                 -1.34872400   -3.18369400    3.74429400
 H                 -1.30833400    4.77073200   -1.36455200
45
F-H-FMes_T1
 S                  0.05260400   -1.50072900   -2.44751100
 S                  0.02680200    2.73566700    1.11771600
 C                 -4.16046500   -0.45909800    0.46440000
 C                  3.41772600   -0.43187200   -0.60664000
 C                 -1.38528800    0.00257800   -0.02237300
 C                  2.30941300    1.67622900    0.48502400
 C                  0.91644600    1.39903300    0.39342000
 C                  4.59606200   -1.23155900   -0.65481300
 C                  0.96077200   -0.63557400   -1.25585100
 C                 -3.75968200    0.48431100   -0.47092000
 C                  2.57948300    2.97833000    1.01747700
 C                  2.34416200   -0.82412700   -1.49899100
 C                  5.63776700    0.06966300    1.06693100
 C                  3.38580400    0.69030200    0.32680100
 C                  2.59550100   -1.62366800   -2.68460300
 C                 -2.39907400    0.70617400   -0.71274400
 C                 -3.19523500   -1.19236500    1.15347400
 C                  1.46459000    3.67109200    1.40084000
 C                 -5.61969900   -0.66405300    0.77036000
 C                  1.47112100   -2.05578100   -3.30799000
 C                  5.68398200   -0.99071700    0.14617900
 C                 -1.84327400   -0.96581400    0.91168800
 C                 -0.85076600   -1.80281900    1.69340200
 C                 -2.11037800    1.77088700   -1.75237000
 C                  4.51019700    0.86641100    1.15826000
 B                  0.18527200    0.24122900   -0.23744900
 H                  4.64228000   -2.09504400   -1.30505100
 H                 -4.50409100    1.03770100   -1.03144000
 H                  3.57689500    3.39736900    1.09616700
 H                  3.58788600   -1.83021400   -3.06766100
 H                 -3.49922200   -1.94049500    1.87468700
 H                  4.51291700    1.64118100    1.91384600
 F                 -6.01400300    0.07680100    1.83123900
 F                 -6.40542000   -0.31448000   -0.27073000
 F                 -5.88803900   -1.95379700    1.07169400
 F                 -0.87897100    1.68611400   -2.29289800
 F                 -2.23645400    3.01462100   -1.23468500
 F                 -2.99289300    1.69263400   -2.77841200
 F                  0.01033600   -1.04496700    2.40647400
 F                 -0.10473200   -2.59115600    0.88248200
 F                 -1.46498000   -2.62634600    2.57264900
 F                  6.68768000    0.28643600    1.85939900
 F                  6.77705800   -1.76077500    0.09053900
 H                  1.37957300   -2.65116400   -4.20563600
 H                  1.40568700    4.66434500    1.82352400
45
F-H-FMes_T1
 S                 -0.02903200   -1.60017600    2.44710900
 S                 -0.06365100    2.54038900   -1.33179900
 C                  4.19078700   -0.38507300   -0.43460000
 C                 -3.40044100   -0.49890800    0.49468800
 C                  1.40572500   -0.00125500    0.01677400
 C                 -2.38113000    1.69924400   -0.34398200
 C                 -0.91477000    1.32569100   -0.40357500
 C                 -4.50056900   -1.36063600    0.41354100
 C                 -0.92896700   -0.73423100    1.21549500
 C                  3.75405700    0.53908300    0.50502100
 C                 -2.57795300    3.05242000   -0.75492400
 C                 -2.29757200   -0.93806600    1.39794400
 C                 -5.75011500    0.20473200   -0.92333300
 C                 -3.45910000    0.74729300   -0.22121600
 C                 -2.58213900   -1.74043600    2.54609400
 C                  2.38559800    0.72678100    0.72458500
 C                  3.25574400   -1.13167300   -1.14876200
 C                 -1.47715800    3.65433200   -1.28141900
 C                  5.66071500   -0.54971900   -0.71906900
 C                 -1.46047700   -2.17010400    3.20839600
 C                 -5.66198000   -1.02497900   -0.27691100
 C                  1.89451800   -0.94336800   -0.92238000
 C                  0.93299500   -1.82387100   -1.69307500
 C                  2.03727400    1.79543300    1.74025400
 C                 -4.66906600    1.05965800   -0.90778800
 B                 -0.17109600    0.18324400    0.24656000
 H                 -4.47707600   -2.32876900    0.89935300
 H                  4.47545900    1.10768400    1.08022500
 H                 -3.52813900    3.56701200   -0.66298900
 H                 -3.58549200   -1.97180900    2.88462000
 H                  3.58801200   -1.86411500   -1.87392400
 H                 -4.74799700    1.97090900   -1.48728900
 F                  6.05546500    0.23431800   -1.74756800
 F                  6.41723800   -0.21615100    0.34780900
 F                  5.96179300   -1.82246200   -1.05545500
 F                  0.79594600    1.66457000    2.25134900
 F                  2.11710200    3.03276800    1.19903200
 F                  2.89889700    1.77388400    2.78303100
 F                 -0.08047200   -1.11381500   -2.24072300
 F                  0.37136600   -2.76260600   -0.89906600
 F                  1.54515500   -2.47744400   -2.70385800
 F                 -6.86970700    0.52558400   -1.59105800
 F                 -6.69466600   -1.87761400   -0.31859400
 H                 -1.41307000   -2.77484600    4.10431500
 H                 -1.37218100    4.67095600   -1.63669600
45
H-H-Mes_S0
 S                  0.51587200    2.75285300   -0.57840700
 S                  0.50575400   -2.76364800   -0.55221600
 C                  4.71855600    0.01484500    0.58663900
 C                 -2.91207300    0.71835400    0.09994800
 C                  1.91169700   -0.00386600    0.14176200
 C                 -1.80447000   -1.60178200   -0.28433300
 C                 -0.43342500   -1.31539300   -0.21397100
 C                 -4.08601200    1.37772600    0.54187300
 C                 -0.42824000    1.31087000   -0.22658400
 C                  4.19351600    0.00223700   -0.70652600
 C                 -2.04693300   -2.96399900   -0.67607400
 C                 -1.79848100    1.60146700   -0.29713100
 C                 -5.22691600   -0.68685200    0.96232500
 C                 -2.91500300   -0.71151600    0.10508200
 C                 -2.03673000    2.96150900   -0.69904100
 C                  2.81375000   -0.01122300   -0.94699500
 C                  3.81959700    0.02243700    1.65805000
 C                  6.21063300    0.00016100    0.82549200
 C                 -5.22396400    0.70904100    0.95767300
 C                  2.43764700    0.01303500    1.45674300
 C                  1.50940700    0.02800900    2.65384400
 C                  2.32194000   -0.05277000   -2.38010600
 C                 -4.09170100   -1.36305300    0.55122800
 B                  0.33697900   -0.00326000   -0.05102300
 H                  6.48847200    0.63842800    1.67205500
 H                  6.76082200    0.34808000   -0.05515800
 H                  6.56851600   -1.01268400    1.05518700
 H                  0.85941200    0.91226200    2.64973800
 H                  2.07218600    0.03383200    3.59289000
 H                  0.85150500   -0.85025800    2.66549600
 H                  1.51190100    0.66291500   -2.55772300
 H                  1.93669400   -1.04640000   -2.64206000
 H                  3.13117300    0.18051700   -3.07981600
 H                 -4.08140700    2.45931800    0.59917800
 H                  4.87505900    0.00430000   -1.55568900
 H                 -3.03229400   -3.37529700   -0.85660700
 H                 -6.09480700   -1.24209700    1.30695100
 H                 -3.02087600    3.37483600   -0.88153600
 H                  4.20494900    0.04061300    2.67646600
 H                 -6.08948000    1.27022500    1.29863400
 H                 -4.09152100   -2.44424100    0.61595900
 C                 -0.89543000    3.68722100   -0.88575100
 H                 -0.82066900    4.71853400   -1.20638100
 C                 -0.90803300   -3.69550000   -0.85502500
 H                 -0.83654000   -4.72961400   -1.16723600
33
1-H_S0
 S                  1.80507300    2.74515400   -0.57595600
 S                  1.80505300   -2.74516500   -0.57595900
 C                 -1.64202100    0.71196600   -0.04588300
 C                 -0.49371600   -1.58422800   -0.40673400
 C                  0.81676400   -1.43860200    0.02617700
 C                 -2.84080900    1.37652200    0.28728400
 C                  0.81677400    1.43859600    0.02617700
 C                 -0.67533100   -2.75985400   -1.21640200
 C                 -0.49370400    1.58423200   -0.40673400
 C                 -4.00817900   -0.69749700    0.61232300
 C                 -1.64202600   -0.71195400   -0.04588300
 C                 -0.67531100    2.75985800   -1.21640300
 C                 -4.00817500    0.69752600    0.61232300
 C                 -2.84081900   -1.37650200    0.28728400
 H                 -2.83728900    2.46229900    0.30651100
 H                 -1.62395300   -3.02880200   -1.66814700
 H                 -4.90522100   -1.25278100    0.87251300
 H                 -1.62393000    3.02881200   -1.66814900
 H                 -4.90521200    1.25281600    0.87251300
 H                 -2.83730600   -2.46227800    0.30651100
 C                  0.47007700    3.47870800   -1.39703800
 H                  0.60710800    4.38379400   -1.97402700
 C                  0.47005100   -3.47871400   -1.39703500
 H                  0.60707500   -4.38380200   -1.97402200
 Si                 1.50323300   -0.00000500    1.00652700
 C                  0.87549600   -0.00000400    2.78655300
 H                  1.23089000    0.88727400    3.32415100
 H                 -0.21879500    0.00000100    2.82147000
 H                  1.23088200   -0.88728500    3.32415000
 C                  3.38932200   -0.00001100    0.97296700
 H                  3.78024800   -0.00003700   -0.05007200
 H                  3.78894400    0.88291500    1.48597400
 H                  3.78894000   -0.88291400    1.48601900
24
model2_S0
 S                  2.44867200   -1.77145000    0.00003700
 S                  2.44867100    1.77145000   -0.00020300
 C                 -1.40368900   -0.71555500   -0.00001400
 C                 -0.14402700    1.42066900    0.00001800
 C                  1.06136400    0.70692600    0.00013100
 C                 -2.64446800   -1.39500900   -0.00002900
 C                  1.06136300   -0.70692500    0.00011000
 C                  0.08581700    2.84024500    0.00024700
 C                 -0.14402700   -1.42067000    0.00000200
 C                 -3.84051100    0.70394000   -0.00006900
 C                 -1.40368800    0.71555400   -0.00000700
 C                  0.08581800   -2.84024600    0.00013800
 C                 -3.84051100   -0.70394000   -0.00008200
 C                 -2.64446700    1.39500800   -0.00000700
 H                 -2.65531900   -2.48078600   -0.00013100
 H                 -0.70265900    3.58383300    0.00057200
 H                 -4.78119800    1.24767200   -0.00013100
 H                 -0.70265800   -3.58383400    0.00038300
 H                 -4.78119800   -1.24767100   -0.00015400
 H                 -2.65531700    2.48078600   -0.00009200
 C                  1.40510400    3.17147500    0.00006700
 H                  1.84289000    4.16066200   -0.00006200
 C                  1.40510500   -3.17147500   -0.00007700
 H                  1.84289100   -4.16066200   -0.00028600
29
model3_S0
 S                  2.72986200   -2.01393900   -0.10273300
 S                 -2.72995800   -2.01390400   -0.10290300
 C                  0.71367300    1.48284800    0.01361900
 C                 -1.58797500    0.31312600   -0.19806900
 C                 -1.30680700   -1.01244400    0.15282100
 C                  1.37267500    2.71327900    0.24795800
 C                  1.30673300   -1.01231800    0.15292200
 C                 -2.92490200    0.46822000   -0.70373000
 C                  1.58800100    0.31315500   -0.19822600
 C                 -0.69800800    3.90338200    0.46405000
 C                 -0.71362800    1.48280300    0.01382500
 C                  2.92494900    0.46811200   -0.70383000
 C                  0.69803800    3.90344600    0.46372700
 C                 -1.37263600    2.71316900    0.24851000
 B                 -0.00002000   -1.70994700    0.55798500
 H                  2.45529700    2.71830200    0.30054400
 H                 -3.32019200    1.40266500   -1.08318500
 H                 -1.25503900    4.81681200    0.65312900
 H                  3.32032300    1.40248400   -1.08337800
 H                  1.25507400    4.81693800    0.65249100
 H                 -2.45523700    2.71808800    0.30154100
 C                  3.64433400   -0.69172200   -0.71831500
 H                  4.65375000   -0.83611500   -1.08135200
 C                 -3.64431100   -0.69159300   -0.71849200
 H                 -4.65368100   -0.83594600   -1.08167200
 C                  0.00003600   -3.14057000    1.24166900
 H                  0.88509000   -3.74773500    1.01863700
 H                  0.00087900   -2.99039700    2.33301300
 H                 -0.88565600   -3.74723200    1.01985700
23
model4_S0
 S                  2.83774400   -1.18018900    0.00024400
 S                 -2.83233700   -1.16910800    0.00023500
 C                 -1.61135800    1.11335000    0.00009700
 C                 -1.32278400   -0.26611000    0.00053500
 C                  1.32848100   -0.27484500    0.00042000
 C                 -3.02320300    1.38978400   -0.00040000
 C                  1.62056300    1.10537400    0.00004200
 C                  3.03211700    1.37812500   -0.00043600
 B                  0.00206000   -1.04089300    0.00065200
 H                 -3.42635400    2.39745600   -0.00073600
 H                  3.43781100    2.38480000   -0.00075600
 C                  3.80057700    0.25343900   -0.00035300
 H                  4.88132900    0.19077200   -0.00062300
 C                 -3.79406100    0.26744800   -0.00039400
 H                 -4.87487100    0.20638000   -0.00073500
 C                 -0.03296200   -2.63367500   -0.00051300
 H                  0.95049800   -3.11547000    0.00826900
 H                 -0.58402200   -3.01556000    0.87048000
 H                 -0.56685900   -3.01297700   -0.88337600
 C                 -0.67441800    2.20145500    0.00018800
 H                 -1.13904600    3.18622000    0.00019700
 C                  0.68816300    2.19760400    0.00017500
 H                  1.15800900    3.17988900    0.00019000
39
model5_S0
 S                  0.26243100   -2.82532600   -0.00010400
 S                  0.24514200    2.82545200   -0.00000700
 C                 -4.02473100   -0.01474100    0.00002700
 C                 -1.18338100   -0.00366000   -0.00000200
 C                  2.54405600    1.62442400    0.00003100
 C                  1.16465800    1.32731100   -0.00000200
 C                  1.17269800   -1.32156700   -0.00001900
 C                 -3.30443700   -0.01469900   -1.19741300
 C                  2.80672400    3.03751600    0.00002200
 C                  2.55390500   -1.61019400    0.00000600
 C                  2.82525600   -3.02164600   -0.00000200
 C                 -1.90599900   -0.00778700   -1.21609900
 C                 -3.30440800   -0.01478000    1.19745700
 C                 -5.53573500    0.01085100    0.00006000
 C                 -1.90597700   -0.00786600    1.21611700
 C                 -1.18038300   -0.00925400    2.54602400
 C                 -1.18043600   -0.00909300   -2.54602700
 B                  0.40491400    0.00055500   -0.00000500
 H                 -5.94560200   -0.48624100    0.88611800
 H                 -5.94561900   -0.48517600   -0.88658400
 H                 -5.91795000    1.04086100    0.00069300
 H                 -0.53516500   -0.89009800    2.65325700
 H                 -1.88664700   -0.01104900    3.38256000
 H                 -0.53709200    0.87271700    2.65553400
 H                 -1.88672100   -0.01077200   -3.38254500
 H                 -0.53527400   -0.88996500   -2.65335600
 H                 -0.53709800    0.87285100   -2.65547200
 H                 -3.84486000   -0.02148300   -2.14277600
 H                  3.81027700    3.45111000    0.00002600
 H                  3.83133000   -3.42906800    0.00001400
 H                 -3.84481600   -0.02163000    2.14283000
 C                  1.67483600    3.79666200   -0.00003400
 H                  1.60616000    4.87718300   -0.00007600
 C                  1.69805400   -3.78773300   -0.00004200
 H                  1.63599400   -4.86865400   -0.00006800
 C                  3.64001900   -0.67146300    0.00005600
 H                  4.62537000   -1.13494600    0.00013300
 C                  3.63587800    0.69234100    0.00006600
 H                  4.61838800    1.16181300    0.00014600
1035
NEDA_H-Si-Mes_CR
 S                 -6.18970000    5.91520000    1.96150000
 S                 -2.52240000    5.34190000    6.00580000
 Si                -0.39780000    6.46170000    8.06190000
 Si                -7.91800000    7.51700000   -0.12490000
 C                 -4.43180000    1.29250000    3.64940000
 C                 -5.81030000    8.77420000    4.76950000
 C                 -4.61410000    4.09630000    3.96750000
 C                 -0.05980000    4.65440000    8.37040000
 C                 -3.88350000    7.53110000    6.00210000
 C                 -3.86190000    6.26350000    5.39150000
 C                 -6.69520000    9.87490000    4.85250000
 C                 -5.59080000    6.56530000    3.44210000
 C                 -3.51530000    2.14890000    3.03530000
 C                 -2.78880000    7.68480000    6.90180000
 C                 -5.96790000    7.91640000    3.58010000
 C                 -5.92330000   10.50320000    7.01860000
 C                 -4.92250000    8.57420000    5.86730000
 C                 -6.70680000    8.34420000    2.42380000
 C                 -3.59250000    3.53430000    3.17730000
 C                 -5.46170000    1.86350000    4.38510000
 C                 -8.30930000    9.32290000   -0.41450000
 C                  1.01710000    7.22040000    7.12030000
 C                 -0.69480000    7.37510000    9.66430000
 C                 -6.89990000    6.81060000   -1.51500000
 C                 -1.95640000    6.59640000    7.01250000
 C                 -4.29790000   -0.21770000    3.54180000
 C                 -6.92350000    7.38920000    1.46350000
 C                 -6.75810000   10.72800000    5.91930000
 C                 -5.57060000    3.23480000    4.54040000
 C                 -9.48180000    6.52330000    0.10180000
 C                 -6.71120000    3.80380000    5.34870000
 C                 -2.59330000    4.40190000    2.46680000
 C                 -5.03570000    9.45530000    6.96640000
 B                 -4.70510000    5.65100000    4.29300000
 H                 -0.83140000    4.25450000    8.77840000
 H                  0.12230000    4.21820000    7.53490000
 H                  0.69640000    4.55750000    8.95340000
 H                 -7.50290000    9.83980000   -0.34370000
 H                 -8.68510000    9.43630000   -1.29040000
 H                 -8.93900000    9.62230000    0.24510000
 H                  0.94230000    8.17760000    7.14040000
 H                  1.85140000    6.95750000    7.51700000
 H                  0.98680000    6.91690000    6.21010000
 H                 -1.21470000    8.16230000    9.48610000
 H                 -1.16830000    6.81300000   10.28240000
 H                  0.14900000    7.62840000   10.04450000
 H                 -6.08690000    7.31150000   -1.61090000
 H                 -6.68960000    5.89510000   -1.31560000
 H                 -7.39970000    6.85220000   -2.33370000
 H                 -5.16460000   -0.62570000    3.60360000
 H                 -3.89820000   -0.44240000    2.69840000
 H                 -3.74150000   -0.53960000    4.25480000
 H                 -9.25000000    5.61660000    0.31580000
 H                -10.00310000    6.89680000    0.81640000
 H                 -9.99490000    6.53880000   -0.70970000
 H                 -7.35340000    4.20200000    4.75710000
 H                 -7.13080000    3.09970000    5.84890000
 H                 -6.37670000    4.46980000    5.95340000
 H                 -2.29310000    3.96920000    1.66420000
 H                 -3.00530000    5.23970000    2.24300000
 H                 -1.84360000    4.55890000    3.04510000
 H                 -7.26270000   10.03460000    4.13300000
 H                 -2.83000000    1.78570000    2.52200000
 H                 -2.64470000    8.47310000    7.37360000
 H                 -5.96440000   11.04970000    7.77000000
 H                 -7.02630000    9.21250000    2.33350000
 H                 -6.09150000    1.30770000    4.78380000
 H                 -7.35040000   11.44470000    5.91910000
 H                 -4.47420000    9.30990000    7.69350000
 S                 -3.18040000   15.18790000    1.96150000
 S                  0.48690000   14.61460000    6.00580000
 Si                 2.61140000   15.73440000    8.06190000
 Si                -4.90870000   16.78980000   -0.12490000
 C                 -1.42260000   10.56520000    3.64940000
 C                 -2.80100000   18.04690000    4.76950000
 C                 -1.60480000   13.36900000    3.96750000
 C                  2.94950000   13.92710000    8.37040000
 C                 -0.87420000   16.80390000    6.00210000
 C                 -0.85260000   15.53630000    5.39150000
 C                 -3.68590000   19.14770000    4.85250000
 C                 -2.58150000   15.83800000    3.44210000
 C                 -0.50600000   11.42160000    3.03530000
 C                  0.22050000   16.95750000    6.90180000
 C                 -2.95860000   17.18910000    3.58010000
 C                 -2.91400000   19.77590000    7.01860000
 C                 -1.91320000   17.84690000    5.86730000
 C                 -3.69760000   17.61700000    2.42380000
 C                 -0.58320000   12.80700000    3.17730000
 C                 -2.45240000   11.13620000    4.38510000
 C                 -5.30000000   18.59560000   -0.41450000
 C                  4.02640000   16.49310000    7.12030000
 C                  2.31440000   16.64780000    9.66430000
 C                 -3.89060000   16.08330000   -1.51500000
 C                  1.05290000   15.86910000    7.01250000
 C                 -1.28860000    9.05500000    3.54180000
 C                 -3.91420000   16.66190000    1.46350000
 C                 -3.74890000   20.00070000    5.91930000
 C                 -2.56130000   12.50750000    4.54040000
 C                 -6.47250000   15.79600000    0.10180000
 C                 -3.70190000   13.07650000    5.34870000
 C                  0.41600000   13.67460000    2.46680000
 C                 -2.02640000   18.72800000    6.96640000
 B                 -1.69580000   14.92370000    4.29300000
 H                  2.17790000   13.52720000    8.77840000
 H                  3.13160000   13.49090000    7.53490000
 H                  3.70570000   13.83020000    8.95340000
 H                 -4.49360000   19.11250000   -0.34370000
 H                 -5.67580000   18.70900000   -1.29040000
 H                 -5.92970000   18.89500000    0.24510000
 H                  3.95160000   17.45030000    7.14040000
 H                  4.86060000   16.23020000    7.51700000
 H                  3.99610000   16.18960000    6.21010000
 H                  1.79460000   17.43500000    9.48610000
 H                  1.84100000   16.08570000   10.28240000
 H                  3.15830000   16.90110000   10.04450000
 H                 -3.07770000   16.58430000   -1.61090000
 H                 -3.68030000   15.16780000   -1.31560000
 H                 -4.39040000   16.12490000   -2.33370000
 H                 -2.15530000    8.64700000    3.60360000
 H                 -0.88890000    8.83030000    2.69840000
 H                 -0.73220000    8.73310000    4.25480000
 H                 -6.24070000   14.88930000    0.31580000
 H                 -6.99390000   16.16950000    0.81640000
 H                 -6.98560000   15.81150000   -0.70970000
 H                 -4.34410000   13.47470000    4.75710000
 H                 -4.12150000   12.37240000    5.84890000
 H                 -3.36740000   13.74250000    5.95340000
 H                  0.71620000   13.24190000    1.66420000
 H                  0.00400000   14.51250000    2.24300000
 H                  1.16570000   13.83160000    3.04510000
 H                 -4.25340000   19.30730000    4.13300000
 H                  0.17930000   11.05840000    2.52200000
 H                  0.36460000   17.74580000    7.37360000
 H                 -2.95510000   20.32250000    7.77000000
 H                 -4.01700000   18.48520000    2.33350000
 H                 -3.08220000   10.58050000    4.78380000
 H                 -4.34110000   20.71740000    5.91910000
 H                 -1.46490000   18.58260000    7.69350000
 S                 -0.21020000   -3.35750000    1.96150000
 S                  3.45710000   -3.93080000    6.00580000
 Si                 5.58170000   -2.81100000    8.06190000
 Si                -1.93850000   -1.75570000   -0.12490000
 C                  1.54770000   -7.98020000    3.64940000
 C                  0.16920000   -0.49850000    4.76950000
 C                  1.36540000   -5.17640000    3.96750000
 C                  5.91980000   -4.61840000    8.37040000
 C                  2.09600000   -1.74160000    6.00210000
 C                  2.11760000   -3.00920000    5.39150000
 C                 -0.71560000    0.60220000    4.85250000
 C                  0.38870000   -2.70740000    3.44210000
 C                  2.46420000   -7.12380000    3.03530000
 C                  3.19070000   -1.58790000    6.90180000
 C                  0.01160000   -1.35630000    3.58010000
 C                  0.05620000    1.23040000    7.01860000
 C                  1.05700000   -0.69850000    5.86730000
 C                 -0.72730000   -0.92850000    2.42380000
 C                  2.38700000   -5.73850000    3.17730000
 C                  0.51780000   -7.40920000    4.38510000
 C                 -2.32980000    0.05020000   -0.41450000
 C                  6.99660000   -2.05230000    7.12030000
 C                  5.28470000   -1.89760000    9.66430000
 C                 -0.92040000   -2.46210000   -1.51500000
 C                  4.02310000   -2.67630000    7.01250000
 C                  1.68160000   -9.49050000    3.54180000
 C                 -0.94400000   -1.88360000    1.46350000
 C                 -0.77860000    1.45530000    5.91930000
 C                  0.40890000   -6.03790000    4.54040000
 C                 -3.50230000   -2.74940000    0.10180000
 C                 -0.73170000   -5.46890000    5.34870000
 C                  3.38620000   -4.87090000    2.46680000
 C                  0.94380000    0.18250000    6.96640000
 B                  1.27440000   -3.62170000    4.29300000
 H                  5.14810000   -5.01830000    8.77840000
 H                  6.10180000   -5.05460000    7.53490000
 H                  6.67590000   -4.71520000    8.95340000
 H                 -1.52330000    0.56710000   -0.34370000
 H                 -2.70560000    0.16360000   -1.29040000
 H                 -2.95950000    0.34960000    0.24510000
 H                  6.92180000   -1.09510000    7.14040000
 H                  7.83090000   -2.31520000    7.51700000
 H                  6.96640000   -2.35580000    6.21010000
 H                  4.76480000   -1.11040000    9.48610000
 H                  4.81120000   -2.45970000   10.28240000
 H                  6.12850000   -1.64430000   10.04450000
 H                 -0.10740000   -1.96120000   -1.61090000
 H                 -0.71010000   -3.37760000   -1.31560000
 H                 -1.42010000   -2.42050000   -2.33370000
 H                  0.81490000   -9.89840000    3.60360000
 H                  2.08130000   -9.71510000    2.69840000
 H                  2.23800000   -9.81230000    4.25480000
 H                 -3.27050000   -3.65610000    0.31580000
 H                 -4.02360000   -2.37590000    0.81640000
 H                 -4.01540000   -2.73390000   -0.70970000
 H                 -1.37380000   -5.07070000    4.75710000
 H                 -1.15130000   -6.17300000    5.84890000
 H                 -0.39720000   -4.80290000    5.95340000
 H                  3.68640000   -5.30350000    1.66420000
 H                  2.97420000   -4.03300000    2.24300000
 H                  4.13590000   -4.71390000    3.04510000
 H                 -1.28320000    0.76190000    4.13300000
 H                  3.14950000   -7.48700000    2.52200000
 H                  3.33480000   -0.79960000    7.37360000
 H                  0.01510000    1.77700000    7.77000000
 H                 -1.04680000   -0.06020000    2.33350000
 H                 -0.11200000   -7.96500000    4.78380000
 H                 -1.37090000    2.17200000    5.91910000
 H                  1.50530000    0.03720000    7.69350000
 S                  2.79910000    5.91520000    1.96150000
 S                  6.46640000    5.34190000    6.00580000
 Si                 8.59100000    6.46170000    8.06190000
 Si                 1.07080000    7.51700000   -0.12490000
 C                  4.55700000    1.29250000    3.64940000
 C                  3.17850000    8.77420000    4.76950000
 C                  4.37470000    4.09630000    3.96750000
 C                  8.92900000    4.65440000    8.37040000
 C                  5.10530000    7.53110000    6.00210000
 C                  5.12690000    6.26350000    5.39150000
 C                  2.29360000    9.87490000    4.85250000
 C                  3.39800000    6.56530000    3.44210000
 C                  5.47350000    2.14890000    3.03530000
 C                  6.20000000    7.68480000    6.90180000
 C                  3.02090000    7.91640000    3.58010000
 C                  3.06550000   10.50320000    7.01860000
 C                  4.06630000    8.57420000    5.86730000
 C                  2.28200000    8.34420000    2.42380000
 C                  5.39630000    3.53430000    3.17730000
 C                  3.52710000    1.86350000    4.38510000
 C                  0.67950000    9.32290000   -0.41450000
 C                 10.00590000    7.22040000    7.12030000
 C                  8.29400000    7.37510000    9.66430000
 C                  2.08890000    6.81060000   -1.51500000
 C                  7.03240000    6.59640000    7.01250000
 C                  4.69090000   -0.21770000    3.54180000
 C                  2.06530000    7.38920000    1.46350000
 C                  2.23070000   10.72800000    5.91930000
 C                  3.41820000    3.23480000    4.54040000
 C                 -0.49300000    6.52330000    0.10180000
 C                  2.27760000    3.80380000    5.34870000
 C                  6.39550000    4.40190000    2.46680000
 C                  3.95310000    9.45530000    6.96640000
 B                  4.28370000    5.65100000    4.29300000
 H                  8.15740000    4.25450000    8.77840000
 H                  9.11110000    4.21820000    7.53490000
 H                  9.68520000    4.55750000    8.95340000
 H                  1.48590000    9.83980000   -0.34370000
 H                  0.30370000    9.43630000   -1.29040000
 H                  0.04980000    9.62230000    0.24510000
 H                  9.93110000    8.17760000    7.14040000
 H                 10.84020000    6.95750000    7.51700000
 H                  9.97560000    6.91690000    6.21010000
 H                  7.77410000    8.16230000    9.48610000
 H                  7.82050000    6.81300000   10.28240000
 H                  9.13780000    7.62840000   10.04450000
 H                  2.90190000    7.31150000   -1.61090000
 H                  2.29920000    5.89510000   -1.31560000
 H                  1.58910000    6.85220000   -2.33370000
 H                  3.82420000   -0.62570000    3.60360000
 H                  5.09060000   -0.44240000    2.69840000
 H                  5.24730000   -0.53960000    4.25480000
 H                 -0.26120000    5.61660000    0.31580000
 H                 -1.01430000    6.89680000    0.81640000
 H                 -1.00610000    6.53880000   -0.70970000
 H                  1.63540000    4.20200000    4.75710000
 H                  1.85800000    3.09970000    5.84890000
 H                  2.61210000    4.46980000    5.95340000
 H                  6.69570000    3.96920000    1.66420000
 H                  5.98350000    5.23970000    2.24300000
 H                  7.14520000    4.55890000    3.04510000
 H                  1.72610000   10.03460000    4.13300000
 H                  6.15880000    1.78570000    2.52200000
 H                  6.34410000    8.47310000    7.37360000
 H                  3.02440000   11.04970000    7.77000000
 H                  1.96250000    9.21250000    2.33350000
 H                  2.89730000    1.30770000    4.78380000
 H                  1.63840000   11.44470000    5.91910000
 H                  4.51460000    9.30990000    7.69350000
 S                  5.80840000   15.18790000    1.96150000
 S                  9.47570000   14.61460000    6.00580000
 Si                11.60020000   15.73440000    8.06190000
 Si                 4.08010000   16.78980000   -0.12490000
 C                  7.56620000   10.56520000    3.64940000
 C                  6.18780000   18.04690000    4.76950000
 C                  7.38400000   13.36900000    3.96750000
 C                 11.93830000   13.92710000    8.37040000
 C                  8.11460000   16.80390000    6.00210000
 C                  8.13620000   15.53630000    5.39150000
 C                  5.30290000   19.14770000    4.85250000
 C                  6.40730000   15.83800000    3.44210000
 C                  8.48280000   11.42160000    3.03530000
 C                  9.20930000   16.95750000    6.90180000
 C                  6.03020000   17.18910000    3.58010000
 C                  6.07480000   19.77590000    7.01860000
 C                  7.07560000   17.84690000    5.86730000
 C                  5.29120000   17.61700000    2.42380000
 C                  8.40560000   12.80700000    3.17730000
 C                  6.53640000   11.13620000    4.38510000
 C                  3.68880000   18.59560000   -0.41450000
 C                 13.01520000   16.49310000    7.12030000
 C                 11.30320000   16.64780000    9.66430000
 C                  5.09820000   16.08330000   -1.51500000
 C                 10.04170000   15.86910000    7.01250000
 C                  7.70020000    9.05500000    3.54180000
 C                  5.07460000   16.66190000    1.46350000
 C                  5.23990000   20.00070000    5.91930000
 C                  6.42750000   12.50750000    4.54040000
 C                  2.51630000   15.79600000    0.10180000
 C                  5.28690000   13.07650000    5.34870000
 C                  9.40480000   13.67460000    2.46680000
 C                  6.96240000   18.72800000    6.96640000
 B                  7.29300000   14.92370000    4.29300000
 H                 11.16670000   13.52720000    8.77840000
 H                 12.12040000   13.49090000    7.53490000
 H                 12.69450000   13.83020000    8.95340000
 H                  4.49520000   19.11250000   -0.34370000
 H                  3.31300000   18.70900000   -1.29040000
 H                  3.05910000   18.89500000    0.24510000
 H                 12.94040000   17.45030000    7.14040000
 H                 13.84940000   16.23020000    7.51700000
 H                 12.98490000   16.18960000    6.21010000
 H                 10.78340000   17.43500000    9.48610000
 H                 10.82980000   16.08570000   10.28240000
 H                 12.14710000   16.90110000   10.04450000
 H                  5.91110000   16.58430000   -1.61090000
 H                  5.30850000   15.16780000   -1.31560000
 H                  4.59840000   16.12490000   -2.33370000
 H                  6.83350000    8.64700000    3.60360000
 H                  8.09990000    8.83030000    2.69840000
 H                  8.25660000    8.73310000    4.25480000
 H                  2.74810000   14.88930000    0.31580000
 H                  1.99490000   16.16950000    0.81640000
 H                  2.00320000   15.81150000   -0.70970000
 H                  4.64470000   13.47470000    4.75710000
 H                  4.86730000   12.37240000    5.84890000
 H                  5.62140000   13.74250000    5.95340000
 H                  9.70500000   13.24190000    1.66420000
 H                  8.99280000   14.51250000    2.24300000
 H                 10.15450000   13.83160000    3.04510000
 H                  4.73540000   19.30730000    4.13300000
 H                  9.16810000   11.05840000    2.52200000
 H                  9.35340000   17.74580000    7.37360000
 H                  6.03370000   20.32250000    7.77000000
 H                  4.97180000   18.48520000    2.33350000
 H                  5.90660000   10.58050000    4.78380000
 H                  4.64770000   20.71740000    5.91910000
 H                  7.52390000   18.58260000    7.69350000
 S                  8.77860000   -3.35750000    1.96150000
 S                 12.44590000   -3.93080000    6.00580000
 Si                14.57050000   -2.81100000    8.06190000
 Si                 7.05030000   -1.75570000   -0.12490000
 C                 10.53650000   -7.98020000    3.64940000
 C                  9.15800000   -0.49850000    4.76950000
 C                 10.35420000   -5.17640000    3.96750000
 C                 14.90860000   -4.61840000    8.37040000
 C                 11.08480000   -1.74160000    6.00210000
 C                 11.10640000   -3.00920000    5.39150000
 C                  8.27320000    0.60220000    4.85250000
 C                  9.37750000   -2.70740000    3.44210000
 C                 11.45300000   -7.12380000    3.03530000
 C                 12.17950000   -1.58790000    6.90180000
 C                  9.00040000   -1.35630000    3.58010000
 C                  9.04500000    1.23040000    7.01860000
 C                 10.04580000   -0.69850000    5.86730000
 C                  8.26150000   -0.92850000    2.42380000
 C                 11.37580000   -5.73850000    3.17730000
 C                  9.50660000   -7.40920000    4.38510000
 C                  6.65900000    0.05020000   -0.41450000
 C                 15.98540000   -2.05230000    7.12030000
 C                 14.27350000   -1.89760000    9.66430000
 C                  8.06840000   -2.46210000   -1.51500000
 C                 13.01190000   -2.67630000    7.01250000
 C                 10.67040000   -9.49050000    3.54180000
 C                  8.04480000   -1.88360000    1.46350000
 C                  8.21020000    1.45530000    5.91930000
 C                  9.39770000   -6.03790000    4.54040000
 C                  5.48650000   -2.74940000    0.10180000
 C                  8.25710000   -5.46890000    5.34870000
 C                 12.37500000   -4.87090000    2.46680000
 C                  9.93260000    0.18250000    6.96640000
 B                 10.26320000   -3.62170000    4.29300000
 H                 14.13690000   -5.01830000    8.77840000
 H                 15.09060000   -5.05460000    7.53490000
 H                 15.66470000   -4.71520000    8.95340000
 H                  7.46550000    0.56710000   -0.34370000
 H                  6.28320000    0.16360000   -1.29040000
 H                  6.02930000    0.34960000    0.24510000
 H                 15.91060000   -1.09510000    7.14040000
 H                 16.81970000   -2.31520000    7.51700000
 H                 15.95520000   -2.35580000    6.21010000
 H                 13.75360000   -1.11040000    9.48610000
 H                 13.80000000   -2.45970000   10.28240000
 H                 15.11730000   -1.64430000   10.04450000
 H                  8.88140000   -1.96120000   -1.61090000
 H                  8.27870000   -3.37760000   -1.31560000
 H                  7.56870000   -2.42050000   -2.33370000
 H                  9.80370000   -9.89840000    3.60360000
 H                 11.07010000   -9.71510000    2.69840000
 H                 11.22680000   -9.81230000    4.25480000
 H                  5.71830000   -3.65610000    0.31580000
 H                  4.96520000   -2.37590000    0.81640000
 H                  4.97340000   -2.73390000   -0.70970000
 H                  7.61500000   -5.07070000    4.75710000
 H                  7.83750000   -6.17300000    5.84890000
 H                  8.59160000   -4.80290000    5.95340000
 H                 12.67520000   -5.30350000    1.66420000
 H                 11.96300000   -4.03300000    2.24300000
 H                 13.12470000   -4.71390000    3.04510000
 H                  7.70560000    0.76190000    4.13300000
 H                 12.13830000   -7.48700000    2.52200000
 H                 12.32360000   -0.79960000    7.37360000
 H                  9.00390000    1.77700000    7.77000000
 H                  7.94200000   -0.06020000    2.33350000
 H                  8.87680000   -7.96500000    4.78380000
 H                  7.61790000    2.17200000    5.91910000
 H                 10.49410000    0.03720000    7.69350000
 S                 11.78790000    5.91520000    1.96150000
 S                 15.45520000    5.34190000    6.00580000
 Si                17.57980000    6.46170000    8.06190000
 Si                10.05960000    7.51700000   -0.12490000
 C                 13.54580000    1.29250000    3.64940000
 C                 12.16730000    8.77420000    4.76950000
 C                 13.36350000    4.09630000    3.96750000
 C                 17.91780000    4.65440000    8.37040000
 C                 14.09410000    7.53110000    6.00210000
 C                 14.11570000    6.26350000    5.39150000
 C                 11.28240000    9.87490000    4.85250000
 C                 12.38680000    6.56530000    3.44210000
 C                 14.46230000    2.14890000    3.03530000
 C                 15.18880000    7.68480000    6.90180000
 C                 12.00970000    7.91640000    3.58010000
 C                 12.05430000   10.50320000    7.01860000
 C                 13.05510000    8.57420000    5.86730000
 C                 11.27080000    8.34420000    2.42380000
 C                 14.38510000    3.53430000    3.17730000
 C                 12.51590000    1.86350000    4.38510000
 C                  9.66830000    9.32290000   -0.41450000
 C                 18.99470000    7.22040000    7.12030000
 C                 17.28280000    7.37510000    9.66430000
 C                 11.07770000    6.81060000   -1.51500000
 C                 16.02120000    6.59640000    7.01250000
 C                 13.67970000   -0.21770000    3.54180000
 C                 11.05410000    7.38920000    1.46350000
 C                 11.21950000   10.72800000    5.91930000
 C                 12.40700000    3.23480000    4.54040000
 C                  8.49580000    6.52330000    0.10180000
 C                 11.26640000    3.80380000    5.34870000
 C                 15.38430000    4.40190000    2.46680000
 C                 12.94190000    9.45530000    6.96640000
 B                 13.27250000    5.65100000    4.29300000
 H                 17.14620000    4.25450000    8.77840000
 H                 18.09990000    4.21820000    7.53490000
 H                 18.67400000    4.55750000    8.95340000
 H                 10.47470000    9.83980000   -0.34370000
 H                  9.29250000    9.43630000   -1.29040000
 H                  9.03860000    9.62230000    0.24510000
 H                 18.91990000    8.17760000    7.14040000
 H                 19.82900000    6.95750000    7.51700000
 H                 18.96440000    6.91690000    6.21010000
 H                 16.76290000    8.16230000    9.48610000
 H                 16.80930000    6.81300000   10.28240000
 H                 18.12660000    7.62840000   10.04450000
 H                 11.89070000    7.31150000   -1.61090000
 H                 11.28800000    5.89510000   -1.31560000
 H                 10.57790000    6.85220000   -2.33370000
 H                 12.81300000   -0.62570000    3.60360000
 H                 14.07940000   -0.44240000    2.69840000
 H                 14.23610000   -0.53960000    4.25480000
 H                  8.72760000    5.61660000    0.31580000
 H                  7.97450000    6.89680000    0.81640000
 H                  7.98270000    6.53880000   -0.70970000
 H                 10.62420000    4.20200000    4.75710000
 H                 10.84680000    3.09970000    5.84890000
 H                 11.60090000    4.46980000    5.95340000
 H                 15.68450000    3.96920000    1.66420000
 H                 14.97230000    5.23970000    2.24300000
 H                 16.13400000    4.55890000    3.04510000
 H                 10.71490000   10.03460000    4.13300000
 H                 15.14760000    1.78570000    2.52200000
 H                 15.33290000    8.47310000    7.37360000
 H                 12.01320000   11.04970000    7.77000000
 H                 10.95130000    9.21250000    2.33350000
 H                 11.88610000    1.30770000    4.78380000
 H                 10.62720000   11.44470000    5.91910000
 H                 13.50340000    9.30990000    7.69350000
 S                 -5.76930000   12.63020000   -1.96150000
 S                 -9.43660000   13.20350000   -6.00580000
 Si               -11.56120000   12.08370000   -8.06190000
 Si                -4.04100000   11.02840000    0.12490000
 C                 -7.52720000   17.25290000   -3.64940000
 C                 -6.14870000    9.77120000   -4.76950000
 C                 -7.34490000   14.44910000   -3.96750000
 C                -11.89930000   13.89110000   -8.37040000
 C                 -8.07550000   11.01430000   -6.00210000
 C                 -8.09710000   12.28190000   -5.39150000
 C                 -5.26390000    8.67050000   -4.85250000
 C                 -6.36820000   11.98010000   -3.44210000
 C                 -8.44370000   16.39650000   -3.03530000
 C                 -9.17020000   10.86060000   -6.90180000
 C                 -5.99110000   10.62900000   -3.58010000
 C                 -6.03570000    8.04230000   -7.01860000
 C                 -7.03650000    9.97130000   -5.86730000
 C                 -5.25220000   10.20120000   -2.42380000
 C                 -8.36650000   15.01120000   -3.17730000
 C                 -6.49730000   16.68190000   -4.38510000
 C                 -3.64970000    9.22250000    0.41450000
 C                -12.97610000   11.32500000   -7.12030000
 C                -11.26420000   11.17030000   -9.66430000
 C                 -5.05910000   11.73480000    1.51500000
 C                -10.00260000   11.94900000   -7.01250000
 C                 -7.66110000   18.76320000   -3.54180000
 C                 -5.03550000   11.15630000   -1.46350000
 C                 -5.20090000    7.81740000   -5.91930000
 C                 -6.38840000   15.31060000   -4.54040000
 C                 -2.47720000   12.02210000   -0.10180000
 C                 -5.24790000   14.74170000   -5.34870000
 C                 -9.36570000   14.14360000   -2.46680000
 C                 -6.92330000    9.09020000   -6.96640000
 B                 -7.25390000   12.89440000   -4.29300000
 H                -11.12760000   14.29100000   -8.77840000
 H                -12.08130000   14.32730000   -7.53490000
 H                -12.65540000   13.98790000   -8.95340000
 H                 -4.45620000    8.70560000    0.34370000
 H                 -3.27390000    9.10910000    1.29040000
 H                 -3.02000000    8.92310000   -0.24510000
 H                -12.90130000   10.36780000   -7.14040000
 H                -13.81040000   11.58790000   -7.51700000
 H                -12.94590000   11.62860000   -6.21010000
 H                -10.74430000   10.38320000   -9.48610000
 H                -10.79080000   11.73250000  -10.28240000
 H                -12.10800000   10.91700000  -10.04450000
 H                 -5.87210000   11.23390000    1.61090000
 H                 -5.26940000   12.65030000    1.31560000
 H                 -4.55940000   11.69320000    2.33370000
 H                 -6.79440000   19.17110000   -3.60360000
 H                 -8.06080000   18.98790000   -2.69840000
 H                 -8.21750000   19.08500000   -4.25480000
 H                 -2.70900000   12.92880000   -0.31580000
 H                 -1.95590000   11.64860000   -0.81640000
 H                 -1.96410000   12.00660000    0.70970000
 H                 -4.60570000   14.34340000   -4.75710000
 H                 -4.82820000   15.44580000   -5.84890000
 H                 -5.58230000   14.07560000   -5.95340000
 H                 -9.66590000   14.57630000   -1.66420000
 H                 -8.95370000   13.30570000   -2.24300000
 H                -10.11540000   13.98660000   -3.04510000
 H                 -4.69630000    8.51090000   -4.13300000
 H                 -9.12900000   16.75980000   -2.52200000
 H                 -9.31430000   10.07230000   -7.37360000
 H                 -5.99460000    7.49570000   -7.77000000
 H                 -4.93270000    9.33290000   -2.33350000
 H                 -5.86750000   17.23770000   -4.78380000
 H                 -4.60860000    7.10070000   -5.91910000
 H                 -7.48480000    9.23560000   -7.69350000
 S                  0.21020000    3.35750000   -1.96150000
 S                 -3.45710000    3.93080000   -6.00580000
 Si                -5.58170000    2.81100000   -8.06190000
 Si                 1.93850000    1.75570000    0.12490000
 C                 -1.54770000    7.98020000   -3.64940000
 C                 -0.16920000    0.49850000   -4.76950000
 C                 -1.36540000    5.17640000   -3.96750000
 C                 -5.91980000    4.61840000   -8.37040000
 C                 -2.09600000    1.74160000   -6.00210000
 C                 -2.11760000    3.00920000   -5.39150000
 C                  0.71560000   -0.60220000   -4.85250000
 C                 -0.38870000    2.70740000   -3.44210000
 C                 -2.46420000    7.12380000   -3.03530000
 C                 -3.19070000    1.58790000   -6.90180000
 C                 -0.01160000    1.35630000   -3.58010000
 C                 -0.05620000   -1.23040000   -7.01860000
 C                 -1.05700000    0.69850000   -5.86730000
 C                  0.72730000    0.92850000   -2.42380000
 C                 -2.38700000    5.73850000   -3.17730000
 C                 -0.51780000    7.40920000   -4.38510000
 C                  2.32980000   -0.05020000    0.41450000
 C                 -6.99660000    2.05230000   -7.12030000
 C                 -5.28470000    1.89760000   -9.66430000
 C                  0.92040000    2.46210000    1.51500000
 C                 -4.02310000    2.67630000   -7.01250000
 C                 -1.68160000    9.49050000   -3.54180000
 C                  0.94400000    1.88360000   -1.46350000
 C                  0.77860000   -1.45530000   -5.91930000
 C                 -0.40890000    6.03790000   -4.54040000
 C                  3.50230000    2.74940000   -0.10180000
 C                  0.73170000    5.46890000   -5.34870000
 C                 -3.38620000    4.87090000   -2.46680000
 C                 -0.94380000   -0.18250000   -6.96640000
 B                 -1.27440000    3.62170000   -4.29300000
 H                 -5.14810000    5.01830000   -8.77840000
 H                 -6.10180000    5.05460000   -7.53490000
 H                 -6.67590000    4.71520000   -8.95340000
 H                  1.52330000   -0.56710000    0.34370000
 H                  2.70560000   -0.16360000    1.29040000
 H                  2.95950000   -0.34960000   -0.24510000
 H                 -6.92180000    1.09510000   -7.14040000
 H                 -7.83090000    2.31520000   -7.51700000
 H                 -6.96640000    2.35580000   -6.21010000
 H                 -4.76480000    1.11040000   -9.48610000
 H                 -4.81120000    2.45970000  -10.28240000
 H                 -6.12850000    1.64430000  -10.04450000
 H                  0.10740000    1.96120000    1.61090000
 H                  0.71010000    3.37760000    1.31560000
 H                  1.42010000    2.42050000    2.33370000
 H                 -0.81490000    9.89840000   -3.60360000
 H                 -2.08130000    9.71510000   -2.69840000
 H                 -2.23800000    9.81230000   -4.25480000
 H                  3.27050000    3.65610000   -0.31580000
 H                  4.02360000    2.37590000   -0.81640000
 H                  4.01540000    2.73390000    0.70970000
 H                  1.37380000    5.07070000   -4.75710000
 H                  1.15130000    6.17300000   -5.84890000
 H                  0.39720000    4.80290000   -5.95340000
 H                 -3.68640000    5.30350000   -1.66420000
 H                 -2.97420000    4.03300000   -2.24300000
 H                 -4.13590000    4.71390000   -3.04510000
 H                  1.28320000   -0.76190000   -4.13300000
 H                 -3.14950000    7.48700000   -2.52200000
 H                 -3.33480000    0.79960000   -7.37360000
 H                 -0.01510000   -1.77700000   -7.77000000
 H                  1.04680000    0.06020000   -2.33350000
 H                  0.11200000    7.96500000   -4.78380000
 H                  1.37090000   -2.17200000   -5.91910000
 H                 -1.50530000   -0.03720000   -7.69350000
 S                  3.21950000   12.63020000   -1.96150000
 S                 -0.44780000   13.20350000   -6.00580000
 Si                -2.57240000   12.08370000   -8.06190000
 Si                 4.94780000   11.02840000    0.12490000
 C                  1.46160000   17.25290000   -3.64940000
 C                  2.84010000    9.77120000   -4.76950000
 C                  1.64390000   14.44910000   -3.96750000
 C                 -2.91050000   13.89110000   -8.37040000
 C                  0.91330000   11.01430000   -6.00210000
 C                  0.89170000   12.28190000   -5.39150000
 C                  3.72490000    8.67050000   -4.85250000
 C                  2.62060000   11.98010000   -3.44210000
 C                  0.54510000   16.39650000   -3.03530000
 C                 -0.18140000   10.86060000   -6.90180000
 C                  2.99770000   10.62900000   -3.58010000
 C                  2.95310000    8.04230000   -7.01860000
 C                  1.95230000    9.97130000   -5.86730000
 C                  3.73660000   10.20120000   -2.42380000
 C                  0.62230000   15.01120000   -3.17730000
 C                  2.49150000   16.68190000   -4.38510000
 C                  5.33910000    9.22250000    0.41450000
 C                 -3.98730000   11.32500000   -7.12030000
 C                 -2.27540000   11.17030000   -9.66430000
 C                  3.92970000   11.73480000    1.51500000
 C                 -1.01380000   11.94900000   -7.01250000
 C                  1.32770000   18.76320000   -3.54180000
 C                  3.95330000   11.15630000   -1.46350000
 C                  3.78790000    7.81740000   -5.91930000
 C                  2.60040000   15.31060000   -4.54040000
 C                  6.51160000   12.02210000   -0.10180000
 C                  3.74090000   14.74170000   -5.34870000
 C                 -0.37690000   14.14360000   -2.46680000
 C                  2.06550000    9.09020000   -6.96640000
 B                  1.73490000   12.89440000   -4.29300000
 H                 -2.13880000   14.29100000   -8.77840000
 H                 -3.09250000   14.32730000   -7.53490000
 H                 -3.66660000   13.98790000   -8.95340000
 H                  4.53260000    8.70560000    0.34370000
 H                  5.71490000    9.10910000    1.29040000
 H                  5.96880000    8.92310000   -0.24510000
 H                 -3.91250000   10.36780000   -7.14040000
 H                 -4.82160000   11.58790000   -7.51700000
 H                 -3.95710000   11.62860000   -6.21010000
 H                 -1.75550000   10.38320000   -9.48610000
 H                 -1.80200000   11.73250000  -10.28240000
 H                 -3.11920000   10.91700000  -10.04450000
 H                  3.11670000   11.23390000    1.61090000
 H                  3.71940000   12.65030000    1.31560000
 H                  4.42940000   11.69320000    2.33370000
 H                  2.19440000   19.17110000   -3.60360000
 H                  0.92800000   18.98790000   -2.69840000
 H                  0.77130000   19.08500000   -4.25480000
 H                  6.27980000   12.92880000   -0.31580000
 H                  7.03290000   11.64860000   -0.81640000
 H                  7.02470000   12.00660000    0.70970000
 H                  4.38310000   14.34340000   -4.75710000
 H                  4.16060000   15.44580000   -5.84890000
 H                  3.40650000   14.07560000   -5.95340000
 H                 -0.67710000   14.57630000   -1.66420000
 H                  0.03510000   13.30570000   -2.24300000
 H                 -1.12660000   13.98660000   -3.04510000
 H                  4.29250000    8.51090000   -4.13300000
 H                 -0.14020000   16.75980000   -2.52200000
 H                 -0.32550000   10.07230000   -7.37360000
 H                  2.99420000    7.49570000   -7.77000000
 H                  4.05610000    9.33290000   -2.33350000
 H                  3.12130000   17.23770000   -4.78380000
 H                  4.38020000    7.10070000   -5.91910000
 H                  1.50400000    9.23560000   -7.69350000
 S                  4.25370000   12.78190000   15.50480000
 S                  0.58640000   13.35530000   11.46050000
 Si                -1.53820000   12.23540000    9.40440000
 Si                 5.98200000   11.18010000   17.59110000
 C                  2.49580000   17.40470000   13.81690000
 C                  3.87430000    9.92300000   12.69670000
 C                  2.67810000   14.60090000   13.49880000
 C                 -1.87630000   14.04280000    9.09590000
 C                  1.94750000   11.16600000   11.46410000
 C                  1.92590000   12.43360000   12.07480000
 C                  4.75910000    8.82220000   12.61380000
 C                  3.65470000   12.13190000   14.02420000
 C                  1.57930000   16.54830000   14.43100000
 C                  0.85270000   11.01230000   10.56450000
 C                  4.03190000   10.78070000   13.88620000
 C                  3.98720000    8.19400000   10.44760000
 C                  2.98650000   10.12300000   11.59900000
 C                  4.77080000   10.35290000   15.04250000
 C                  1.65650000   15.16290000   14.28900000
 C                  3.52560000   16.83360000   13.08120000
 C                  6.37330000    9.37430000   17.88070000
 C                 -2.95320000   11.47680000   10.34600000
 C                 -1.24120000   11.32210000    7.80200000
 C                  4.96390000   11.88650000   18.98130000
 C                  0.02040000   12.10070000   10.45370000
 C                  2.36190000   18.91490000   13.92440000
 C                  4.98750000   11.30800000   16.00280000
 C                  4.82210000    7.96910000   11.54690000
 C                  3.63460000   15.46230000   12.92590000
 C                  7.54570000   12.17390000   17.36440000
 C                  4.77510000   14.89340000   12.11760000
 C                  0.65720000   14.29530000   14.99950000
 C                  3.09970000    9.24190000   10.49980000
 B                  2.76910000   13.04620000   13.17320000
 H                 -1.10460000   14.44270000    8.68790000
 H                 -2.05830000   14.47900000    9.93130000
 H                 -2.63240000   14.13960000    8.51290000
 H                  5.56680000    8.85730000   17.81000000
 H                  6.74910000    9.26090000   18.75670000
 H                  7.00300000    9.07490000   17.22120000
 H                 -2.87830000   10.51960000   10.32590000
 H                 -3.78740000   11.73960000    9.94930000
 H                 -2.92290000   11.78030000   11.25610000
 H                 -0.72130000   10.53490000    7.98020000
 H                 -0.76780000   11.88420000    7.18390000
 H                 -2.08510000   11.06880000    7.42180000
 H                  4.15090000   11.38560000   19.07720000
 H                  4.75360000   12.80210000   18.78180000
 H                  5.46360000   11.84500000   19.79990000
 H                  3.22860000   19.32280000   13.86260000
 H                  1.96220000   19.13960000   14.76790000
 H                  1.80550000   19.23680000   13.21150000
 H                  7.31390000   13.08050000   17.15050000
 H                  8.06710000   11.80040000   16.64990000
 H                  8.05880000   12.15840000   18.17590000
 H                  5.41730000   14.49520000   12.70910000
 H                  5.19470000   15.59750000   11.61730000
 H                  4.44070000   14.22740000   11.51290000
 H                  0.35710000   14.72800000   15.80210000
 H                  1.06930000   13.45740000   15.22320000
 H                 -0.09240000   14.13830000   14.42120000
 H                  5.32670000    8.66260000   13.33320000
 H                  0.89400000   16.91150000   14.94430000
 H                  0.70860000   10.22410000   10.09270000
 H                  4.02830000    7.64740000    9.69620000
 H                  5.09030000    9.48470000   15.13280000
 H                  4.15540000   17.38940000   12.68240000
 H                  5.41430000    7.25250000   11.54710000
 H                  2.53810000    9.38730000    9.77270000
 S                  9.19900000    3.35750000   -1.96150000
 S                  5.53170000    3.93080000   -6.00580000
 Si                 3.40710000    2.81100000   -8.06190000
 Si                10.92730000    1.75570000    0.12490000
 C                  7.44110000    7.98020000   -3.64940000
 C                  8.81960000    0.49850000   -4.76950000
 C                  7.62340000    5.17640000   -3.96750000
 C                  3.06900000    4.61840000   -8.37040000
 C                  6.89280000    1.74160000   -6.00210000
 C                  6.87120000    3.00920000   -5.39150000
 C                  9.70440000   -0.60220000   -4.85250000
 C                  8.60010000    2.70740000   -3.44210000
 C                  6.52460000    7.12380000   -3.03530000
 C                  5.79810000    1.58790000   -6.90180000
 C                  8.97720000    1.35630000   -3.58010000
 C                  8.93260000   -1.23040000   -7.01860000
 C                  7.93180000    0.69850000   -5.86730000
 C                  9.71610000    0.92850000   -2.42380000
 C                  6.60180000    5.73850000   -3.17730000
 C                  8.47100000    7.40920000   -4.38510000
 C                 11.31860000   -0.05020000    0.41450000
 C                  1.99220000    2.05230000   -7.12030000
 C                  3.70410000    1.89760000   -9.66430000
 C                  9.90920000    2.46210000    1.51500000
 C                  4.96570000    2.67630000   -7.01250000
 C                  7.30720000    9.49050000   -3.54180000
 C                  9.93280000    1.88360000   -1.46350000
 C                  9.76740000   -1.45530000   -5.91930000
 C                  8.57990000    6.03790000   -4.54040000
 C                 12.49110000    2.74940000   -0.10180000
 C                  9.72050000    5.46890000   -5.34870000
 C                  5.60260000    4.87090000   -2.46680000
 C                  8.04500000   -0.18250000   -6.96640000
 B                  7.71440000    3.62170000   -4.29300000
 H                  3.84070000    5.01830000   -8.77840000
 H                  2.88700000    5.05460000   -7.53490000
 H                  2.31290000    4.71520000   -8.95340000
 H                 10.51210000   -0.56710000    0.34370000
 H                 11.69440000   -0.16360000    1.29040000
 H                 11.94830000   -0.34960000   -0.24510000
 H                  2.06700000    1.09510000   -7.14040000
 H                  1.15790000    2.31520000   -7.51700000
 H                  2.02240000    2.35580000   -6.21010000
 H                  4.22400000    1.11040000   -9.48610000
 H                  4.17760000    2.45970000  -10.28240000
 H                  2.86030000    1.64430000  -10.04450000
 H                  9.09620000    1.96120000    1.61090000
 H                  9.69890000    3.37760000    1.31560000
 H                 10.40890000    2.42050000    2.33370000
 H                  8.17390000    9.89840000   -3.60360000
 H                  6.90750000    9.71510000   -2.69840000
 H                  6.75080000    9.81230000   -4.25480000
 H                 12.25930000    3.65610000   -0.31580000
 H                 13.01240000    2.37590000   -0.81640000
 H                 13.00420000    2.73390000    0.70970000
 H                 10.36260000    5.07070000   -4.75710000
 H                 10.14010000    6.17300000   -5.84890000
 H                  9.38600000    4.80290000   -5.95340000
 H                  5.30240000    5.30350000   -1.66420000
 H                  6.01460000    4.03300000   -2.24300000
 H                  4.85290000    4.71390000   -3.04510000
 H                 10.27200000   -0.76190000   -4.13300000
 H                  5.83930000    7.48700000   -2.52200000
 H                  5.65400000    0.79960000   -7.37360000
 H                  8.97370000   -1.77700000   -7.77000000
 H                 10.03560000    0.06020000   -2.33350000
 H                  9.10080000    7.96500000   -4.78380000
 H                 10.35970000   -2.17200000   -5.91910000
 H                  7.48350000   -0.03720000   -7.69350000
 S                 10.23320000    3.50920000   15.50480000
 S                  6.56590000    4.08260000   11.46050000
 Si                 4.44130000    2.96270000    9.40440000
 Si                11.96150000    1.90740000   17.59110000
 C                  8.47530000    8.13190000   13.81690000
 C                  9.85380000    0.65020000   12.69670000
 C                  8.65760000    5.32820000   13.49880000
 C                  4.10320000    4.77010000    9.09590000
 C                  7.92700000    1.89330000   11.46410000
 C                  7.90540000    3.16090000   12.07480000
 C                 10.73860000   -0.45050000   12.61380000
 C                  9.63430000    2.85910000   14.02420000
 C                  7.55880000    7.27560000   14.43100000
 C                  6.83220000    1.73960000   10.56450000
 C                 10.01140000    1.50800000   13.88620000
 C                  9.96680000   -1.07870000   10.44760000
 C                  8.96600000    0.85030000   11.59900000
 C                 10.75030000    1.08020000   15.04250000
 C                  7.63600000    5.89020000   14.28900000
 C                  9.50520000    7.56090000   13.08120000
 C                 12.35280000    0.10160000   17.88070000
 C                  3.02640000    2.20410000   10.34600000
 C                  4.73830000    2.04940000    7.80200000
 C                 10.94340000    2.61380000   18.98130000
 C                  5.99990000    2.82800000   10.45370000
 C                  8.34140000    9.64220000   13.92440000
 C                 10.96700000    2.03530000   16.00280000
 C                 10.80160000   -1.30360000   11.54690000
 C                  9.61410000    6.18960000   12.92590000
 C                 13.52520000    2.90110000   17.36440000
 C                 10.75460000    5.62070000   12.11760000
 C                  6.63670000    5.02260000   14.99950000
 C                  9.07920000   -0.03080000   10.49980000
 B                  8.74860000    3.77350000   13.17320000
 H                  4.87490000    5.17000000    8.68790000
 H                  3.92120000    5.20630000    9.93130000
 H                  3.34710000    4.86690000    8.51290000
 H                 11.54630000   -0.41540000   17.81000000
 H                 12.72860000   -0.01180000   18.75670000
 H                 12.98250000   -0.19780000   17.22120000
 H                  3.10120000    1.24680000   10.32590000
 H                  2.19210000    2.46690000    9.94930000
 H                  3.05660000    2.50760000   11.25610000
 H                  5.25820000    1.26220000    7.98020000
 H                  5.21170000    2.61150000    7.18390000
 H                  3.89440000    1.79610000    7.42180000
 H                 10.13040000    2.11290000   19.07720000
 H                 10.73310000    3.52930000   18.78180000
 H                 11.44310000    2.57220000   19.79990000
 H                  9.20810000   10.05010000   13.86260000
 H                  7.94170000    9.86690000   14.76790000
 H                  7.78500000    9.96410000   13.21150000
 H                 13.29340000    3.80780000   17.15050000
 H                 14.04660000    2.52760000   16.64990000
 H                 14.03830000    2.88570000   18.17590000
 H                 11.39680000    5.22250000   12.70910000
 H                 11.17420000    6.32480000   11.61730000
 H                 10.42020000    4.95470000   11.51290000
 H                  6.33660000    5.45530000   15.80210000
 H                  7.04880000    4.18470000   15.22320000
 H                  5.88710000    4.86560000   14.42120000
 H                 11.30620000   -0.61010000   13.33320000
 H                  6.87350000    7.63880000   14.94430000
 H                  6.68810000    0.95130000   10.09270000
 H                 10.00790000   -1.62530000    9.69620000
 H                 11.06980000    0.21190000   15.13280000
 H                 10.13490000    8.11670000   12.68240000
 H                 11.39380000   -2.02030000   11.54710000
 H                  8.51770000    0.11460000    9.77270000
 S                 13.24250000   12.78190000   15.50480000
 S                  9.57520000   13.35530000   11.46050000
 Si                 7.45060000   12.23540000    9.40440000
 Si                14.97080000   11.18010000   17.59110000
 C                 11.48460000   17.40470000   13.81690000
 C                 12.86310000    9.92300000   12.69670000
 C                 11.66690000   14.60090000   13.49880000
 C                  7.11250000   14.04280000    9.09590000
 C                 10.93630000   11.16600000   11.46410000
 C                 10.91470000   12.43360000   12.07480000
 C                 13.74790000    8.82220000   12.61380000
 C                 12.64350000   12.13190000   14.02420000
 C                 10.56810000   16.54830000   14.43100000
 C                  9.84150000   11.01230000   10.56450000
 C                 13.02070000   10.78070000   13.88620000
 C                 12.97600000    8.19400000   10.44760000
 C                 11.97530000   10.12300000   11.59900000
 C                 13.75960000   10.35290000   15.04250000
 C                 10.64530000   15.16290000   14.28900000
 C                 12.51440000   16.83360000   13.08120000
 C                 15.36210000    9.37430000   17.88070000
 C                  6.03560000   11.47680000   10.34600000
 C                  7.74760000   11.32210000    7.80200000
 C                 13.95270000   11.88650000   18.98130000
 C                  9.00920000   12.10070000   10.45370000
 C                 11.35070000   18.91490000   13.92440000
 C                 13.97630000   11.30800000   16.00280000
 C                 13.81090000    7.96910000   11.54690000
 C                 12.62340000   15.46230000   12.92590000
 C                 16.53450000   12.17390000   17.36440000
 C                 13.76390000   14.89340000   12.11760000
 C                  9.64600000   14.29530000   14.99950000
 C                 12.08850000    9.24190000   10.49980000
 B                 11.75790000   13.04620000   13.17320000
 H                  7.88420000   14.44270000    8.68790000
 H                  6.93050000   14.47900000    9.93130000
 H                  6.35640000   14.13960000    8.51290000
 H                 14.55560000    8.85730000   17.81000000
 H                 15.73790000    9.26090000   18.75670000
 H                 15.99180000    9.07490000   17.22120000
 H                  6.11050000   10.51960000   10.32590000
 H                  5.20140000   11.73960000    9.94930000
 H                  6.06590000   11.78030000   11.25610000
 H                  8.26750000   10.53490000    7.98020000
 H                  8.22100000   11.88420000    7.18390000
 H                  6.90370000   11.06880000    7.42180000
 H                 13.13970000   11.38560000   19.07720000
 H                 13.74240000   12.80210000   18.78180000
 H                 14.45240000   11.84500000   19.79990000
 H                 12.21740000   19.32280000   13.86260000
 H                 10.95100000   19.13960000   14.76790000
 H                 10.79430000   19.23680000   13.21150000
 H                 16.30270000   13.08050000   17.15050000
 H                 17.05590000   11.80040000   16.64990000
 H                 17.04760000   12.15840000   18.17590000
 H                 14.40610000   14.49520000   12.70910000
 H                 14.18350000   15.59750000   11.61730000
 H                 13.42950000   14.22740000   11.51290000
 H                  9.34590000   14.72800000   15.80210000
 H                 10.05810000   13.45740000   15.22320000
 H                  8.89640000   14.13830000   14.42120000
 H                 14.31550000    8.66260000   13.33320000
 H                  9.88280000   16.91150000   14.94430000
 H                  9.69740000   10.22410000   10.09270000
 H                 13.01710000    7.64740000    9.69620000
 H                 14.07910000    9.48470000   15.13280000
 H                 13.14420000   17.38940000   12.68240000
 H                 14.40310000    7.25250000   11.54710000
 H                 11.52690000    9.38730000    9.77270000
 S                 19.22200000    3.50920000   15.50480000
 S                 15.55470000    4.08260000   11.46050000
 Si                13.43010000    2.96270000    9.40440000
 Si                20.95030000    1.90740000   17.59110000
 C                 17.46410000    8.13190000   13.81690000
 C                 18.84260000    0.65020000   12.69670000
 C                 17.64640000    5.32820000   13.49880000
 C                 13.09200000    4.77010000    9.09590000
 C                 16.91580000    1.89330000   11.46410000
 C                 16.89420000    3.16090000   12.07480000
 C                 19.72740000   -0.45050000   12.61380000
 C                 18.62310000    2.85910000   14.02420000
 C                 16.54760000    7.27560000   14.43100000
 C                 15.82100000    1.73960000   10.56450000
 C                 19.00020000    1.50800000   13.88620000
 C                 18.95560000   -1.07870000   10.44760000
 C                 17.95480000    0.85030000   11.59900000
 C                 19.73910000    1.08020000   15.04250000
 C                 16.62480000    5.89020000   14.28900000
 C                 18.49400000    7.56090000   13.08120000
 C                 21.34160000    0.10160000   17.88070000
 C                 12.01520000    2.20410000   10.34600000
 C                 13.72710000    2.04940000    7.80200000
 C                 19.93220000    2.61380000   18.98130000
 C                 14.98870000    2.82800000   10.45370000
 C                 17.33020000    9.64220000   13.92440000
 C                 19.95580000    2.03530000   16.00280000
 C                 19.79040000   -1.30360000   11.54690000
 C                 18.60290000    6.18960000   12.92590000
 C                 22.51400000    2.90110000   17.36440000
 C                 19.74340000    5.62070000   12.11760000
 C                 15.62550000    5.02260000   14.99950000
 C                 18.06800000   -0.03080000   10.49980000
 B                 17.73740000    3.77350000   13.17320000
 H                 13.86370000    5.17000000    8.68790000
 H                 12.91000000    5.20630000    9.93130000
 H                 12.33590000    4.86690000    8.51290000
 H                 20.53510000   -0.41540000   17.81000000
 H                 21.71740000   -0.01180000   18.75670000
 H                 21.97130000   -0.19780000   17.22120000
 H                 12.09000000    1.24680000   10.32590000
 H                 11.18090000    2.46690000    9.94930000
 H                 12.04540000    2.50760000   11.25610000
 H                 14.24700000    1.26220000    7.98020000
 H                 14.20050000    2.61150000    7.18390000
 H                 12.88320000    1.79610000    7.42180000
 H                 19.11920000    2.11290000   19.07720000
 H                 19.72190000    3.52930000   18.78180000
 H                 20.43190000    2.57220000   19.79990000
 H                 18.19690000   10.05010000   13.86260000
 H                 16.93050000    9.86690000   14.76790000
 H                 16.77380000    9.96410000   13.21150000
 H                 22.28220000    3.80780000   17.15050000
 H                 23.03540000    2.52760000   16.64990000
 H                 23.02710000    2.88570000   18.17590000
 H                 20.38560000    5.22250000   12.70910000
 H                 20.16300000    6.32480000   11.61730000
 H                 19.40900000    4.95470000   11.51290000
 H                 15.32540000    5.45530000   15.80210000
 H                 16.03760000    4.18470000   15.22320000
 H                 14.87590000    4.86560000   14.42120000
 H                 20.29500000   -0.61010000   13.33320000
 H                 15.86230000    7.63880000   14.94430000
 H                 15.67690000    0.95130000   10.09270000
 H                 18.99670000   -1.62530000    9.69620000
 H                 20.05860000    0.21190000   15.13280000
 H                 19.12370000    8.11670000   12.68240000
 H                 20.38260000   -2.02030000   11.54710000
 H                 17.50650000    0.11460000    9.77270000
897
NEDA_H-Si-Mes_CB
 B                 -3.92100000    5.56130000   12.21890000
 C                 -5.89520000    0.59350000   14.10940000
 H                 -6.44880000   -0.17800000   14.08230000
 C                 -4.66550000    0.56300000   14.76320000
 H                 -4.36500000   -0.23300000   15.18560000
 C                 -3.89400000    1.69740000   14.78930000
 H                 -3.05790000    1.66070000   15.23900000
 C                 -4.27220000    2.91280000   14.18680000
 C                 -5.52050000    2.94810000   13.50690000
 C                 -6.29320000    1.76720000   13.50140000
 H                 -7.13200000    1.78070000   13.05560000
 C                 -3.30620000    4.02200000   14.31840000
 C                 -2.34720000    4.07710000   15.38450000
 H                 -2.33900000    3.44670000   16.09520000
 C                 -1.44160000    5.10710000   15.30360000
 C                 -3.11650000    5.07080000   13.40990000
 C                 -6.08100000    4.08260000   12.74720000
 C                 -5.36630000    5.08260000   12.08850000
 C                 -7.83850000    5.20260000   11.61540000
 C                 -7.49070000    4.18990000   12.47720000
 H                 -8.13150000    3.60550000   12.86490000
 C                 -0.21110000    4.68820000   18.03970000
 H                 -1.03970000    5.00140000   18.45880000
 H                  0.54880000    4.89680000   18.62240000
 H                 -0.26060000    3.71930000   17.90180000
 C                  1.55900000    4.92420000   15.56190000
 H                  1.51970000    3.94860000   15.47350000
 H                  2.34240000    5.17220000   16.09590000
 H                  1.62780000    5.33000000   14.67270000
 C                  0.07880000    7.39240000   16.58190000
 H                  0.17570000    7.80110000   15.69640000
 H                  0.84490000    7.64040000   17.14120000
 H                 -0.74770000    7.71070000   17.00030000
 C                -10.03260000    7.32380000   11.72490000
 H                -10.06340000    7.23590000   12.70050000
 H                -10.91810000    7.58220000   11.39260000
 H                 -9.37860000    8.01050000   11.47900000
 C                 -9.39880000    5.88930000    9.11860000
 H                 -8.71360000    6.55880000    8.91130000
 H                -10.26120000    6.18190000    8.75570000
 H                 -9.14960000    5.03130000    8.71700000
 C                -10.75700000    4.37690000   11.44340000
 H                -10.67450000    3.61850000   10.82820000
 H                -11.66590000    4.74030000   11.39390000
 H                -10.57470000    4.07680000   12.35830000
 C                 -3.28020000    6.61710000   11.22920000
 C                 -3.25370000    8.00430000   11.47570000
 C                 -2.57770000    8.84920000   10.59940000
 H                 -2.57630000    9.78430000   10.76690000
 C                 -1.90300000    8.35870000    9.48300000
 C                 -1.95830000    6.99960000    9.22930000
 H                 -1.52160000    6.65260000    8.46030000
 C                 -2.64100000    6.12800000   10.07700000
 C                 -2.69610000    4.65680000    9.73420000
 H                 -2.71640000    4.12940000   10.56010000
 H                 -1.90440000    4.41340000    9.21060000
 H                 -3.50360000    4.47360000    9.20990000
 C                 -3.92550000    8.58120000   12.69930000
 H                 -4.83040000    8.21370000   12.77910000
 H                 -3.97510000    9.55640000   12.61550000
 H                 -3.40660000    8.34800000   13.49730000
 C                 -1.10620000    9.27660000    8.58670000
 H                 -1.57780000   10.13030000    8.49160000
 H                 -1.00050000    8.86160000    7.70530000
 H                 -0.22320000    9.43340000    8.98210000
 S                 -1.75310000    6.02510000   13.88830000
 S                 -6.42750000    6.03840000   11.11960000
 Si                 0.01280000    5.53420000   16.40590000
 Si                -9.53740000    5.69380000   10.96930000
 B                 -3.92100000   18.39480000   12.21890000
 C                 -5.89520000   13.42700000   14.10940000
 H                 -6.44880000   12.65550000   14.08230000
 C                 -4.66550000   13.39650000   14.76320000
 H                 -4.36500000   12.60050000   15.18560000
 C                 -3.89400000   14.53090000   14.78930000
 H                 -3.05790000   14.49420000   15.23900000
 C                 -4.27220000   15.74630000   14.18680000
 C                 -5.52050000   15.78160000   13.50690000
 C                 -6.29320000   14.60070000   13.50140000
 H                 -7.13200000   14.61420000   13.05560000
 C                 -3.30620000   16.85550000   14.31840000
 C                 -2.34720000   16.91060000   15.38450000
 H                 -2.33900000   16.28020000   16.09520000
 C                 -1.44160000   17.94060000   15.30360000
 C                 -3.11650000   17.90430000   13.40990000
 C                 -6.08100000   16.91610000   12.74720000
 C                 -5.36630000   17.91610000   12.08850000
 C                 -7.83850000   18.03610000   11.61540000
 C                 -7.49070000   17.02340000   12.47720000
 H                 -8.13150000   16.43900000   12.86490000
 C                 -0.21110000   17.52170000   18.03970000
 H                 -1.03970000   17.83490000   18.45880000
 H                  0.54880000   17.73030000   18.62240000
 H                 -0.26060000   16.55280000   17.90180000
 C                  1.55900000   17.75770000   15.56190000
 H                  1.51970000   16.78210000   15.47350000
 H                  2.34240000   18.00570000   16.09590000
 H                  1.62780000   18.16350000   14.67270000
 C                  0.07880000   20.22590000   16.58190000
 H                  0.17570000   20.63460000   15.69640000
 H                  0.84490000   20.47390000   17.14120000
 H                 -0.74770000   20.54420000   17.00030000
 C                -10.03260000   20.15730000   11.72490000
 H                -10.06340000   20.06940000   12.70050000
 H                -10.91810000   20.41570000   11.39260000
 H                 -9.37860000   20.84400000   11.47900000
 C                 -9.39880000   18.72280000    9.11860000
 H                 -8.71360000   19.39230000    8.91130000
 H                -10.26120000   19.01540000    8.75570000
 H                 -9.14960000   17.86480000    8.71700000
 C                -10.75700000   17.21040000   11.44340000
 H                -10.67450000   16.45200000   10.82820000
 H                -11.66590000   17.57380000   11.39390000
 H                -10.57470000   16.91030000   12.35830000
 C                 -3.28020000   19.45060000   11.22920000
 C                 -3.25370000   20.83780000   11.47570000
 C                 -2.57770000   21.68270000   10.59940000
 H                 -2.57630000   22.61780000   10.76690000
 C                 -1.90300000   21.19220000    9.48300000
 C                 -1.95830000   19.83310000    9.22930000
 H                 -1.52160000   19.48610000    8.46030000
 C                 -2.64100000   18.96150000   10.07700000
 C                 -2.69610000   17.49030000    9.73420000
 H                 -2.71640000   16.96290000   10.56010000
 H                 -1.90440000   17.24690000    9.21060000
 H                 -3.50360000   17.30710000    9.20990000
 C                 -3.92550000   21.41470000   12.69930000
 H                 -4.83040000   21.04720000   12.77910000
 H                 -3.97510000   22.38990000   12.61550000
 H                 -3.40660000   21.18150000   13.49730000
 C                 -1.10620000   22.11010000    8.58670000
 H                 -1.57780000   22.96380000    8.49160000
 H                 -1.00050000   21.69510000    7.70530000
 H                 -0.22320000   22.26690000    8.98210000
 S                 -1.75310000   18.85860000   13.88830000
 S                 -6.42750000   18.87190000   11.11960000
 Si                 0.01280000   18.36770000   16.40590000
 Si                -9.53740000   18.52730000   10.96930000
 B                  7.33640000    5.56130000   12.21890000
 C                  5.36220000    0.59350000   14.10940000
 H                  4.80860000   -0.17800000   14.08230000
 C                  6.59190000    0.56300000   14.76320000
 H                  6.89240000   -0.23300000   15.18560000
 C                  7.36340000    1.69740000   14.78930000
 H                  8.19950000    1.66070000   15.23900000
 C                  6.98520000    2.91280000   14.18680000
 C                  5.73690000    2.94810000   13.50690000
 C                  4.96420000    1.76720000   13.50140000
 H                  4.12540000    1.78070000   13.05560000
 C                  7.95120000    4.02200000   14.31840000
 C                  8.91020000    4.07710000   15.38450000
 H                  8.91840000    3.44670000   16.09520000
 C                  9.81580000    5.10710000   15.30360000
 C                  8.14090000    5.07080000   13.40990000
 C                  5.17640000    4.08260000   12.74720000
 C                  5.89110000    5.08260000   12.08850000
 C                  3.41890000    5.20260000   11.61540000
 C                  3.76670000    4.18990000   12.47720000
 H                  3.12590000    3.60550000   12.86490000
 C                 11.04630000    4.68820000   18.03970000
 H                 10.21770000    5.00140000   18.45880000
 H                 11.80620000    4.89680000   18.62240000
 H                 10.99680000    3.71930000   17.90180000
 C                 12.81640000    4.92420000   15.56190000
 H                 12.77710000    3.94860000   15.47350000
 H                 13.59980000    5.17220000   16.09590000
 H                 12.88520000    5.33000000   14.67270000
 C                 11.33620000    7.39240000   16.58190000
 H                 11.43310000    7.80110000   15.69640000
 H                 12.10230000    7.64040000   17.14120000
 H                 10.50970000    7.71070000   17.00030000
 C                  1.22480000    7.32380000   11.72490000
 H                  1.19400000    7.23590000   12.70050000
 H                  0.33930000    7.58220000   11.39260000
 H                  1.87880000    8.01050000   11.47900000
 C                  1.85860000    5.88930000    9.11860000
 H                  2.54380000    6.55880000    8.91130000
 H                  0.99620000    6.18190000    8.75570000
 H                  2.10780000    5.03130000    8.71700000
 C                  0.50040000    4.37690000   11.44340000
 H                  0.58290000    3.61850000   10.82820000
 H                 -0.40850000    4.74030000   11.39390000
 H                  0.68270000    4.07680000   12.35830000
 C                  7.97720000    6.61710000   11.22920000
 C                  8.00370000    8.00430000   11.47570000
 C                  8.67970000    8.84920000   10.59940000
 H                  8.68110000    9.78430000   10.76690000
 C                  9.35440000    8.35870000    9.48300000
 C                  9.29910000    6.99960000    9.22930000
 H                  9.73580000    6.65260000    8.46030000
 C                  8.61640000    6.12800000   10.07700000
 C                  8.56130000    4.65680000    9.73420000
 H                  8.54100000    4.12940000   10.56010000
 H                  9.35300000    4.41340000    9.21060000
 H                  7.75380000    4.47360000    9.20990000
 C                  7.33190000    8.58120000   12.69930000
 H                  6.42700000    8.21370000   12.77910000
 H                  7.28230000    9.55640000   12.61550000
 H                  7.85080000    8.34800000   13.49730000
 C                 10.15120000    9.27660000    8.58670000
 H                  9.67960000   10.13030000    8.49160000
 H                 10.25690000    8.86160000    7.70530000
 H                 11.03420000    9.43340000    8.98210000
 S                  9.50430000    6.02510000   13.88830000
 S                  4.82990000    6.03840000   11.11960000
 Si                11.27020000    5.53420000   16.40590000
 Si                 1.72000000    5.69380000   10.96930000
 B                  7.33640000   18.39480000   12.21890000
 C                  5.36220000   13.42700000   14.10940000
 H                  4.80860000   12.65550000   14.08230000
 C                  6.59190000   13.39650000   14.76320000
 H                  6.89240000   12.60050000   15.18560000
 C                  7.36340000   14.53090000   14.78930000
 H                  8.19950000   14.49420000   15.23900000
 C                  6.98520000   15.74630000   14.18680000
 C                  5.73690000   15.78160000   13.50690000
 C                  4.96420000   14.60070000   13.50140000
 H                  4.12540000   14.61420000   13.05560000
 C                  7.95120000   16.85550000   14.31840000
 C                  8.91020000   16.91060000   15.38450000
 H                  8.91840000   16.28020000   16.09520000
 C                  9.81580000   17.94060000   15.30360000
 C                  8.14090000   17.90430000   13.40990000
 C                  5.17640000   16.91610000   12.74720000
 C                  5.89110000   17.91610000   12.08850000
 C                  3.41890000   18.03610000   11.61540000
 C                  3.76670000   17.02340000   12.47720000
 H                  3.12590000   16.43900000   12.86490000
 C                 11.04630000   17.52170000   18.03970000
 H                 10.21770000   17.83490000   18.45880000
 H                 11.80620000   17.73030000   18.62240000
 H                 10.99680000   16.55280000   17.90180000
 C                 12.81640000   17.75770000   15.56190000
 H                 12.77710000   16.78210000   15.47350000
 H                 13.59980000   18.00570000   16.09590000
 H                 12.88520000   18.16350000   14.67270000
 C                 11.33620000   20.22590000   16.58190000
 H                 11.43310000   20.63460000   15.69640000
 H                 12.10230000   20.47390000   17.14120000
 H                 10.50970000   20.54420000   17.00030000
 C                  1.22480000   20.15730000   11.72490000
 H                  1.19400000   20.06940000   12.70050000
 H                  0.33930000   20.41570000   11.39260000
 H                  1.87880000   20.84400000   11.47900000
 C                  1.85860000   18.72280000    9.11860000
 H                  2.54380000   19.39230000    8.91130000
 H                  0.99620000   19.01540000    8.75570000
 H                  2.10780000   17.86480000    8.71700000
 C                  0.50040000   17.21040000   11.44340000
 H                  0.58290000   16.45200000   10.82820000
 H                 -0.40850000   17.57380000   11.39390000
 H                  0.68270000   16.91030000   12.35830000
 C                  7.97720000   19.45060000   11.22920000
 C                  8.00370000   20.83780000   11.47570000
 C                  8.67970000   21.68270000   10.59940000
 H                  8.68110000   22.61780000   10.76690000
 C                  9.35440000   21.19220000    9.48300000
 C                  9.29910000   19.83310000    9.22930000
 H                  9.73580000   19.48610000    8.46030000
 C                  8.61640000   18.96150000   10.07700000
 C                  8.56130000   17.49030000    9.73420000
 H                  8.54100000   16.96290000   10.56010000
 H                  9.35300000   17.24690000    9.21060000
 H                  7.75380000   17.30710000    9.20990000
 C                  7.33190000   21.41470000   12.69930000
 H                  6.42700000   21.04720000   12.77910000
 H                  7.28230000   22.38990000   12.61550000
 H                  7.85080000   21.18150000   13.49730000
 C                 10.15120000   22.11010000    8.58670000
 H                  9.67960000   22.96380000    8.49160000
 H                 10.25690000   21.69510000    7.70530000
 H                 11.03420000   22.26690000    8.98210000
 S                  9.50430000   18.85860000   13.88830000
 S                  4.82990000   18.87190000   11.11960000
 Si                11.27020000   18.36770000   16.40590000
 Si                 1.72000000   18.52730000   10.96930000
 B                 -1.70770000    7.27220000   22.11580000
 C                  0.26650000   12.24000000   24.00630000
 H                  0.82010000   13.01150000   23.97920000
 C                 -0.96320000   12.27050000   24.66010000
 H                 -1.26370000   13.06650000   25.08250000
 C                 -1.73470000   11.13610000   24.68620000
 H                 -2.57080000   11.17280000   25.13590000
 C                 -1.35650000    9.92070000   24.08370000
 C                 -0.10820000    9.88540000   23.40380000
 C                  0.66450000   11.06630000   23.39830000
 H                  1.50330000   11.05280000   22.95250000
 C                 -2.32250000    8.81150000   24.21530000
 C                 -3.28150000    8.75640000   25.28140000
 H                 -3.28970000    9.38680000   25.99210000
 C                 -4.18710000    7.72640000   25.20050000
 C                 -2.51220000    7.76270000   23.30680000
 C                  0.45230000    8.75090000   22.64410000
 C                 -0.26240000    7.75090000   21.98540000
 C                  2.20980000    7.63090000   21.51230000
 C                  1.86200000    8.64360000   22.37410000
 H                  2.50280000    9.22800000   22.76180000
 C                 -5.41760000    8.14530000   27.93660000
 H                 -4.58900000    7.83210000   28.35570000
 H                 -6.17750000    7.93670000   28.51930000
 H                 -5.36810000    9.11420000   27.79870000
 C                 -7.18770000    7.90930000   25.45880000
 H                 -7.14840000    8.88490000   25.37040000
 H                 -7.97110000    7.66130000   25.99280000
 H                 -7.25650000    7.50350000   24.56960000
 C                 -5.70750000    5.44110000   26.47880000
 H                 -5.80440000    5.03240000   25.59330000
 H                 -6.47360000    5.19310000   27.03810000
 H                 -4.88100000    5.12280000   26.89720000
 C                  4.40390000    5.50970000   21.62180000
 H                  4.43470000    5.59760000   22.59740000
 H                  5.28940000    5.25130000   21.28950000
 H                  3.74990000    4.82300000   21.37590000
 C                  3.77010000    6.94420000   19.01550000
 H                  3.08490000    6.27470000   18.80820000
 H                  4.63250000    6.65160000   18.65260000
 H                  3.52090000    7.80220000   18.61390000
 C                  5.12830000    8.45660000   21.34030000
 H                  5.04580000    9.21500000   20.72510000
 H                  6.03720000    8.09320000   21.29080000
 H                  4.94600000    8.75670000   22.25520000
 C                 -2.34850000    6.21640000   21.12610000
 C                 -2.37500000    4.82920000   21.37260000
 C                 -3.05100000    3.98430000   20.49630000
 H                 -3.05240000    3.04920000   20.66380000
 C                 -3.72570000    4.47480000   19.37990000
 C                 -3.67040000    5.83390000   19.12620000
 H                 -4.10710000    6.18090000   18.35720000
 C                 -2.98770000    6.70550000   19.97390000
 C                 -2.93260000    8.17670000   19.63110000
 H                 -2.91230000    8.70410000   20.45700000
 H                 -3.72430000    8.42010000   19.10750000
 H                 -2.12510000    8.35990000   19.10680000
 C                 -1.70320000    4.25230000   22.59620000
 H                 -0.79830000    4.61980000   22.67600000
 H                 -1.65360000    3.27710000   22.51240000
 H                 -2.22210000    4.48550000   23.39420000
 C                 -4.52250000    3.55690000   18.48360000
 H                 -4.05090000    2.70320000   18.38850000
 H                 -4.62820000    3.97190000   17.60220000
 H                 -5.40550000    3.40010000   18.87900000
 S                 -3.87560000    6.80840000   23.78520000
 S                  0.79880000    6.79510000   21.01650000
 Si                -5.64150000    7.29930000   26.30280000
 Si                 3.90870000    7.13970000   20.86620000
 B                 -1.70770000   20.10570000   22.11580000
 C                  0.26650000   25.07350000   24.00630000
 H                  0.82010000   25.84500000   23.97920000
 C                 -0.96320000   25.10400000   24.66010000
 H                 -1.26370000   25.90000000   25.08250000
 C                 -1.73470000   23.96960000   24.68620000
 H                 -2.57080000   24.00630000   25.13590000
 C                 -1.35650000   22.75420000   24.08370000
 C                 -0.10820000   22.71890000   23.40380000
 C                  0.66450000   23.89980000   23.39830000
 H                  1.50330000   23.88630000   22.95250000
 C                 -2.32250000   21.64500000   24.21530000
 C                 -3.28150000   21.58990000   25.28140000
 H                 -3.28970000   22.22030000   25.99210000
 C                 -4.18710000   20.55990000   25.20050000
 C                 -2.51220000   20.59620000   23.30680000
 C                  0.45230000   21.58440000   22.64410000
 C                 -0.26240000   20.58440000   21.98540000
 C                  2.20980000   20.46440000   21.51230000
 C                  1.86200000   21.47710000   22.37410000
 H                  2.50280000   22.06150000   22.76180000
 C                 -5.41760000   20.97880000   27.93660000
 H                 -4.58900000   20.66560000   28.35570000
 H                 -6.17750000   20.77020000   28.51930000
 H                 -5.36810000   21.94770000   27.79870000
 C                 -7.18770000   20.74280000   25.45880000
 H                 -7.14840000   21.71840000   25.37040000
 H                 -7.97110000   20.49480000   25.99280000
 H                 -7.25650000   20.33700000   24.56960000
 C                 -5.70750000   18.27460000   26.47880000
 H                 -5.80440000   17.86590000   25.59330000
 H                 -6.47360000   18.02660000   27.03810000
 H                 -4.88100000   17.95630000   26.89720000
 C                  4.40390000   18.34320000   21.62180000
 H                  4.43470000   18.43110000   22.59740000
 H                  5.28940000   18.08480000   21.28950000
 H                  3.74990000   17.65650000   21.37590000
 C                  3.77010000   19.77770000   19.01550000
 H                  3.08490000   19.10820000   18.80820000
 H                  4.63250000   19.48510000   18.65260000
 H                  3.52090000   20.63570000   18.61390000
 C                  5.12830000   21.29010000   21.34030000
 H                  5.04580000   22.04850000   20.72510000
 H                  6.03720000   20.92670000   21.29080000
 H                  4.94600000   21.59020000   22.25520000
 C                 -2.34850000   19.04990000   21.12610000
 C                 -2.37500000   17.66270000   21.37260000
 C                 -3.05100000   16.81780000   20.49630000
 H                 -3.05240000   15.88270000   20.66380000
 C                 -3.72570000   17.30830000   19.37990000
 C                 -3.67040000   18.66740000   19.12620000
 H                 -4.10710000   19.01440000   18.35720000
 C                 -2.98770000   19.53900000   19.97390000
 C                 -2.93260000   21.01020000   19.63110000
 H                 -2.91230000   21.53760000   20.45700000
 H                 -3.72430000   21.25360000   19.10750000
 H                 -2.12510000   21.19340000   19.10680000
 C                 -1.70320000   17.08580000   22.59620000
 H                 -0.79830000   17.45330000   22.67600000
 H                 -1.65360000   16.11060000   22.51240000
 H                 -2.22210000   17.31900000   23.39420000
 C                 -4.52250000   16.39040000   18.48360000
 H                 -4.05090000   15.53670000   18.38850000
 H                 -4.62820000   16.80540000   17.60220000
 H                 -5.40550000   16.23360000   18.87900000
 S                 -3.87560000   19.64190000   23.78520000
 S                  0.79880000   19.62860000   21.01650000
 Si                -5.64150000   20.13280000   26.30280000
 Si                 3.90870000   19.97320000   20.86620000
 B                  9.54970000    7.27220000   22.11580000
 C                 11.52390000   12.24000000   24.00630000
 H                 12.07750000   13.01150000   23.97920000
 C                 10.29420000   12.27050000   24.66010000
 H                  9.99370000   13.06650000   25.08250000
 C                  9.52270000   11.13610000   24.68620000
 H                  8.68660000   11.17280000   25.13590000
 C                  9.90090000    9.92070000   24.08370000
 C                 11.14920000    9.88540000   23.40380000
 C                 11.92190000   11.06630000   23.39830000
 H                 12.76070000   11.05280000   22.95250000
 C                  8.93490000    8.81150000   24.21530000
 C                  7.97590000    8.75640000   25.28140000
 H                  7.96770000    9.38680000   25.99210000
 C                  7.07030000    7.72640000   25.20050000
 C                  8.74520000    7.76270000   23.30680000
 C                 11.70970000    8.75090000   22.64410000
 C                 10.99500000    7.75090000   21.98540000
 C                 13.46720000    7.63090000   21.51230000
 C                 13.11940000    8.64360000   22.37410000
 H                 13.76020000    9.22800000   22.76180000
 C                  5.83980000    8.14530000   27.93660000
 H                  6.66840000    7.83210000   28.35570000
 H                  5.07990000    7.93670000   28.51930000
 H                  5.88930000    9.11420000   27.79870000
 C                  4.06970000    7.90930000   25.45880000
 H                  4.10900000    8.88490000   25.37040000
 H                  3.28630000    7.66130000   25.99280000
 H                  4.00090000    7.50350000   24.56960000
 C                  5.54990000    5.44110000   26.47880000
 H                  5.45300000    5.03240000   25.59330000
 H                  4.78380000    5.19310000   27.03810000
 H                  6.37640000    5.12280000   26.89720000
 C                 15.66130000    5.50970000   21.62180000
 H                 15.69210000    5.59760000   22.59740000
 H                 16.54680000    5.25130000   21.28950000
 H                 15.00730000    4.82300000   21.37590000
 C                 15.02750000    6.94420000   19.01550000
 H                 14.34230000    6.27470000   18.80820000
 H                 15.88990000    6.65160000   18.65260000
 H                 14.77830000    7.80220000   18.61390000
 C                 16.38570000    8.45660000   21.34030000
 H                 16.30320000    9.21500000   20.72510000
 H                 17.29460000    8.09320000   21.29080000
 H                 16.20340000    8.75670000   22.25520000
 C                  8.90890000    6.21640000   21.12610000
 C                  8.88240000    4.82920000   21.37260000
 C                  8.20640000    3.98430000   20.49630000
 H                  8.20500000    3.04920000   20.66380000
 C                  7.53170000    4.47480000   19.37990000
 C                  7.58700000    5.83390000   19.12620000
 H                  7.15030000    6.18090000   18.35720000
 C                  8.26970000    6.70550000   19.97390000
 C                  8.32480000    8.17670000   19.63110000
 H                  8.34510000    8.70410000   20.45700000
 H                  7.53310000    8.42010000   19.10750000
 H                  9.13230000    8.35990000   19.10680000
 C                  9.55420000    4.25230000   22.59620000
 H                 10.45910000    4.61980000   22.67600000
 H                  9.60380000    3.27710000   22.51240000
 H                  9.03530000    4.48550000   23.39420000
 C                  6.73490000    3.55690000   18.48360000
 H                  7.20650000    2.70320000   18.38850000
 H                  6.62920000    3.97190000   17.60220000
 H                  5.85190000    3.40010000   18.87900000
 S                  7.38180000    6.80840000   23.78520000
 S                 12.05620000    6.79510000   21.01650000
 Si                 5.61590000    7.29930000   26.30280000
 Si                15.16610000    7.13970000   20.86620000
 B                  9.54970000   20.10570000   22.11580000
 C                 11.52390000   25.07350000   24.00630000
 H                 12.07750000   25.84500000   23.97920000
 C                 10.29420000   25.10400000   24.66010000
 H                  9.99370000   25.90000000   25.08250000
 C                  9.52270000   23.96960000   24.68620000
 H                  8.68660000   24.00630000   25.13590000
 C                  9.90090000   22.75420000   24.08370000
 C                 11.14920000   22.71890000   23.40380000
 C                 11.92190000   23.89980000   23.39830000
 H                 12.76070000   23.88630000   22.95250000
 C                  8.93490000   21.64500000   24.21530000
 C                  7.97590000   21.58990000   25.28140000
 H                  7.96770000   22.22030000   25.99210000
 C                  7.07030000   20.55990000   25.20050000
 C                  8.74520000   20.59620000   23.30680000
 C                 11.70970000   21.58440000   22.64410000
 C                 10.99500000   20.58440000   21.98540000
 C                 13.46720000   20.46440000   21.51230000
 C                 13.11940000   21.47710000   22.37410000
 H                 13.76020000   22.06150000   22.76180000
 C                  5.83980000   20.97880000   27.93660000
 H                  6.66840000   20.66560000   28.35570000
 H                  5.07990000   20.77020000   28.51930000
 H                  5.88930000   21.94770000   27.79870000
 C                  4.06970000   20.74280000   25.45880000
 H                  4.10900000   21.71840000   25.37040000
 H                  3.28630000   20.49480000   25.99280000
 H                  4.00090000   20.33700000   24.56960000
 C                  5.54990000   18.27460000   26.47880000
 H                  5.45300000   17.86590000   25.59330000
 H                  4.78380000   18.02660000   27.03810000
 H                  6.37640000   17.95630000   26.89720000
 C                 15.66130000   18.34320000   21.62180000
 H                 15.69210000   18.43110000   22.59740000
 H                 16.54680000   18.08480000   21.28950000
 H                 15.00730000   17.65650000   21.37590000
 C                 15.02750000   19.77770000   19.01550000
 H                 14.34230000   19.10820000   18.80820000
 H                 15.88990000   19.48510000   18.65260000
 H                 14.77830000   20.63570000   18.61390000
 C                 16.38570000   21.29010000   21.34030000
 H                 16.30320000   22.04850000   20.72510000
 H                 17.29460000   20.92670000   21.29080000
 H                 16.20340000   21.59020000   22.25520000
 C                  8.90890000   19.04990000   21.12610000
 C                  8.88240000   17.66270000   21.37260000
 C                  8.20640000   16.81780000   20.49630000
 H                  8.20500000   15.88270000   20.66380000
 C                  7.53170000   17.30830000   19.37990000
 C                  7.58700000   18.66740000   19.12620000
 H                  7.15030000   19.01440000   18.35720000
 C                  8.26970000   19.53900000   19.97390000
 C                  8.32480000   21.01020000   19.63110000
 H                  8.34510000   21.53760000   20.45700000
 H                  7.53310000   21.25360000   19.10750000
 H                  9.13230000   21.19340000   19.10680000
 C                  9.55420000   17.08580000   22.59620000
 H                 10.45910000   17.45330000   22.67600000
 H                  9.60380000   16.11060000   22.51240000
 H                  9.03530000   17.31900000   23.39420000
 C                  6.73490000   16.39040000   18.48360000
 H                  7.20650000   15.53670000   18.38850000
 H                  6.62920000   16.80540000   17.60220000
 H                  5.85190000   16.23360000   18.87900000
 S                  7.38180000   19.64190000   23.78520000
 S                 12.05620000   19.62860000   21.01650000
 Si                 5.61590000   20.13280000   26.30280000
 Si                15.16610000   19.97320000   20.86620000
 B                 -7.33640000   11.97800000   17.47180000
 C                 -5.36220000    7.01030000   15.58130000
 H                 -4.80860000    6.23870000   15.60840000
 C                 -6.59190000    6.97980000   14.92750000
 H                 -6.89240000    6.18370000   14.50510000
 C                 -7.36340000    8.11410000   14.90140000
 H                 -8.19950000    8.07750000   14.45170000
 C                 -6.98520000    9.32960000   15.50390000
 C                 -5.73690000    9.36490000   16.18380000
 C                 -4.96420000    8.18390000   16.18930000
 H                 -4.12540000    8.19750000   16.63510000
 C                 -7.95120000   10.43880000   15.37230000
 C                 -8.91020000   10.49380000   14.30620000
 H                 -8.91840000    9.86340000   13.59550000
 C                 -9.81580000   11.52380000   14.38710000
 C                 -8.14090000   11.48750000   16.28080000
 C                 -5.17640000   10.49930000   16.94350000
 C                 -5.89110000   11.49930000   17.60220000
 C                 -3.41890000   11.61930000   18.07530000
 C                 -3.76670000   10.60660000   17.21350000
 H                 -3.12590000   10.02220000   16.82580000
 C                -11.04630000   11.10500000   11.65100000
 H                -10.21770000   11.41810000   11.23190000
 H                -11.80620000   11.31350000   11.06830000
 H                -10.99680000   10.13600000   11.78890000
 C                -12.81640000   11.34100000   14.12880000
 H                -12.77710000   10.36540000   14.21720000
 H                -13.59980000   11.58890000   13.59480000
 H                -12.88520000   11.74670000   15.01800000
 C                -11.33620000   13.80910000   13.10880000
 H                -11.43310000   14.21790000   13.99430000
 H                -12.10230000   14.05710000   12.54950000
 H                -10.50970000   14.12750000   12.69040000
 C                 -1.22480000   13.74060000   17.96580000
 H                 -1.19400000   13.65270000   16.99020000
 H                 -0.33930000   13.99900000   18.29810000
 H                 -1.87880000   14.42720000   18.21170000
 C                 -1.85860000   12.30600000   20.57210000
 H                 -2.54380000   12.97560000   20.77940000
 H                 -0.99620000   12.59870000   20.93500000
 H                 -2.10780000   11.44800000   20.97370000
 C                 -0.50040000   10.79360000   18.24730000
 H                 -0.58290000   10.03530000   18.86250000
 H                  0.40850000   11.15700000   18.29680000
 H                 -0.68270000   10.49350000   17.33240000
 C                 -7.97720000   13.03380000   18.46150000
 C                 -8.00370000   14.42100000   18.21500000
 C                 -8.67970000   15.26600000   19.09130000
 H                 -8.68110000   16.20100000   18.92380000
 C                 -9.35440000   14.77550000   20.20770000
 C                 -9.29910000   13.41640000   20.46140000
 H                 -9.73580000   13.06940000   21.23040000
 C                 -8.61640000   12.54470000   19.61370000
 C                 -8.56130000   11.07350000   19.95650000
 H                 -8.54100000   10.54620000   19.13060000
 H                 -9.35300000   10.83010000   20.48010000
 H                 -7.75380000   10.89030000   20.48080000
 C                 -7.33190000   14.99800000   16.99140000
 H                 -6.42700000   14.63050000   16.91160000
 H                 -7.28230000   15.97320000   17.07520000
 H                 -7.85080000   14.76480000   16.19340000
 C                -10.15120000   15.69330000   21.10400000
 H                 -9.67960000   16.54710000   21.19910000
 H                -10.25690000   15.27840000   21.98540000
 H                -11.03420000   15.85010000   20.70860000
 S                 -9.50430000   12.44180000   15.80240000
 S                 -4.82990000   12.45520000   18.57110000
 Si               -11.27020000   11.95090000   13.28480000
 Si                -1.72000000   12.11060000   18.72140000
 B                  3.92100000   11.97800000   17.47180000
 C                  5.89520000    7.01030000   15.58130000
 H                  6.44880000    6.23870000   15.60840000
 C                  4.66550000    6.97980000   14.92750000
 H                  4.36500000    6.18370000   14.50510000
 C                  3.89400000    8.11410000   14.90140000
 H                  3.05790000    8.07750000   14.45170000
 C                  4.27220000    9.32960000   15.50390000
 C                  5.52050000    9.36490000   16.18380000
 C                  6.29320000    8.18390000   16.18930000
 H                  7.13200000    8.19750000   16.63510000
 C                  3.30620000   10.43880000   15.37230000
 C                  2.34720000   10.49380000   14.30620000
 H                  2.33900000    9.86340000   13.59550000
 C                  1.44160000   11.52380000   14.38710000
 C                  3.11650000   11.48750000   16.28080000
 C                  6.08100000   10.49930000   16.94350000
 C                  5.36630000   11.49930000   17.60220000
 C                  7.83850000   11.61930000   18.07530000
 C                  7.49070000   10.60660000   17.21350000
 H                  8.13150000   10.02220000   16.82580000
 C                  0.21110000   11.10500000   11.65100000
 H                  1.03970000   11.41810000   11.23190000
 H                 -0.54880000   11.31350000   11.06830000
 H                  0.26060000   10.13600000   11.78890000
 C                 -1.55900000   11.34100000   14.12880000
 H                 -1.51970000   10.36540000   14.21720000
 H                 -2.34240000   11.58890000   13.59480000
 H                 -1.62780000   11.74670000   15.01800000
 C                 -0.07880000   13.80910000   13.10880000
 H                 -0.17570000   14.21790000   13.99430000
 H                 -0.84490000   14.05710000   12.54950000
 H                  0.74770000   14.12750000   12.69040000
 C                 10.03260000   13.74060000   17.96580000
 H                 10.06340000   13.65270000   16.99020000
 H                 10.91810000   13.99900000   18.29810000
 H                  9.37860000   14.42720000   18.21170000
 C                  9.39880000   12.30600000   20.57210000
 H                  8.71360000   12.97560000   20.77940000
 H                 10.26120000   12.59870000   20.93500000
 H                  9.14960000   11.44800000   20.97370000
 C                 10.75700000   10.79360000   18.24730000
 H                 10.67450000   10.03530000   18.86250000
 H                 11.66590000   11.15700000   18.29680000
 H                 10.57470000   10.49350000   17.33240000
 C                  3.28020000   13.03380000   18.46150000
 C                  3.25370000   14.42100000   18.21500000
 C                  2.57770000   15.26600000   19.09130000
 H                  2.57630000   16.20100000   18.92380000
 C                  1.90300000   14.77550000   20.20770000
 C                  1.95830000   13.41640000   20.46140000
 H                  1.52160000   13.06940000   21.23040000
 C                  2.64100000   12.54470000   19.61370000
 C                  2.69610000   11.07350000   19.95650000
 H                  2.71640000   10.54620000   19.13060000
 H                  1.90440000   10.83010000   20.48010000
 H                  3.50360000   10.89030000   20.48080000
 C                  3.92550000   14.99800000   16.99140000
 H                  4.83040000   14.63050000   16.91160000
 H                  3.97510000   15.97320000   17.07520000
 H                  3.40660000   14.76480000   16.19340000
 C                  1.10620000   15.69330000   21.10400000
 H                  1.57780000   16.54710000   21.19910000
 H                  1.00050000   15.27840000   21.98540000
 H                  0.22320000   15.85010000   20.70860000
 S                  1.75310000   12.44180000   15.80240000
 S                  6.42750000   12.45520000   18.57110000
 Si                -0.01280000   11.95090000   13.28480000
 Si                 9.53740000   12.11060000   18.72140000
 B                 15.17840000   11.97800000   17.47180000
 C                 17.15260000    7.01030000   15.58130000
 H                 17.70620000    6.23870000   15.60840000
 C                 15.92290000    6.97980000   14.92750000
 H                 15.62240000    6.18370000   14.50510000
 C                 15.15140000    8.11410000   14.90140000
 H                 14.31530000    8.07750000   14.45170000
 C                 15.52960000    9.32960000   15.50390000
 C                 16.77790000    9.36490000   16.18380000
 C                 17.55060000    8.18390000   16.18930000
 H                 18.38940000    8.19750000   16.63510000
 C                 14.56360000   10.43880000   15.37230000
 C                 13.60460000   10.49380000   14.30620000
 H                 13.59640000    9.86340000   13.59550000
 C                 12.69900000   11.52380000   14.38710000
 C                 14.37390000   11.48750000   16.28080000
 C                 17.33840000   10.49930000   16.94350000
 C                 16.62370000   11.49930000   17.60220000
 C                 19.09590000   11.61930000   18.07530000
 C                 18.74810000   10.60660000   17.21350000
 H                 19.38890000   10.02220000   16.82580000
 C                 11.46850000   11.10500000   11.65100000
 H                 12.29710000   11.41810000   11.23190000
 H                 10.70860000   11.31350000   11.06830000
 H                 11.51800000   10.13600000   11.78890000
 C                  9.69840000   11.34100000   14.12880000
 H                  9.73770000   10.36540000   14.21720000
 H                  8.91500000   11.58890000   13.59480000
 H                  9.62960000   11.74670000   15.01800000
 C                 11.17860000   13.80910000   13.10880000
 H                 11.08170000   14.21790000   13.99430000
 H                 10.41250000   14.05710000   12.54950000
 H                 12.00510000   14.12750000   12.69040000
 C                 21.29000000   13.74060000   17.96580000
 H                 21.32080000   13.65270000   16.99020000
 H                 22.17550000   13.99900000   18.29810000
 H                 20.63600000   14.42720000   18.21170000
 C                 20.65620000   12.30600000   20.57210000
 H                 19.97100000   12.97560000   20.77940000
 H                 21.51860000   12.59870000   20.93500000
 H                 20.40700000   11.44800000   20.97370000
 C                 22.01440000   10.79360000   18.24730000
 H                 21.93190000   10.03530000   18.86250000
 H                 22.92330000   11.15700000   18.29680000
 H                 21.83210000   10.49350000   17.33240000
 C                 14.53760000   13.03380000   18.46150000
 C                 14.51110000   14.42100000   18.21500000
 C                 13.83510000   15.26600000   19.09130000
 H                 13.83370000   16.20100000   18.92380000
 C                 13.16040000   14.77550000   20.20770000
 C                 13.21570000   13.41640000   20.46140000
 H                 12.77900000   13.06940000   21.23040000
 C                 13.89840000   12.54470000   19.61370000
 C                 13.95350000   11.07350000   19.95650000
 H                 13.97380000   10.54620000   19.13060000
 H                 13.16180000   10.83010000   20.48010000
 H                 14.76100000   10.89030000   20.48080000
 C                 15.18290000   14.99800000   16.99140000
 H                 16.08780000   14.63050000   16.91160000
 H                 15.23250000   15.97320000   17.07520000
 H                 14.66400000   14.76480000   16.19340000
 C                 12.36360000   15.69330000   21.10400000
 H                 12.83520000   16.54710000   21.19910000
 H                 12.25790000   15.27840000   21.98540000
 H                 11.48060000   15.85010000   20.70860000
 S                 13.01050000   12.44180000   15.80240000
 S                 17.68490000   12.45520000   18.57110000
 Si                11.24460000   11.95090000   13.28480000
 Si                20.79480000   12.11060000   18.72140000
 B                  1.70770000   13.68900000    7.57490000
 C                 -0.26650000   18.65670000    5.68440000
 H                 -0.82010000   19.42830000    5.71150000
 C                  0.96320000   18.68720000    5.03060000
 H                  1.26370000   19.48330000    4.60820000
 C                  1.73470000   17.55290000    5.00450000
 H                  2.57080000   17.58950000    4.55480000
 C                  1.35650000   16.33740000    5.60700000
 C                  0.10820000   16.30210000    6.28690000
 C                 -0.66450000   17.48310000    6.29240000
 H                 -1.50330000   17.46950000    6.73820000
 C                  2.32250000   15.22820000    5.47540000
 C                  3.28150000   15.17320000    4.40930000
 H                  3.28970000   15.80360000    3.69860000
 C                  4.18710000   14.14320000    4.49020000
 C                  2.51220000   14.17950000    6.38390000
 C                 -0.45230000   15.16770000    7.04660000
 C                  0.26240000   14.16770000    7.70530000
 C                 -2.20980000   14.04770000    8.17840000
 C                 -1.86200000   15.06040000    7.31660000
 H                 -2.50280000   15.64480000    6.92890000
 C                  5.41760000   14.56200000    1.75410000
 H                  4.58900000   14.24890000    1.33500000
 H                  6.17750000   14.35350000    1.17140000
 H                  5.36810000   15.53100000    1.89200000
 C                  7.18770000   14.32600000    4.23190000
 H                  7.14840000   15.30160000    4.32030000
 H                  7.97110000   14.07810000    3.69790000
 H                  7.25650000   13.92030000    5.12110000
 C                  5.70750000   11.85790000    3.21190000
 H                  5.80440000   11.44910000    4.09740000
 H                  6.47360000   11.60990000    2.65260000
 H                  4.88100000   11.53950000    2.79350000
 C                 -4.40390000   11.92640000    8.06890000
 H                 -4.43470000   12.01430000    7.09330000
 H                 -5.28940000   11.66800000    8.40120000
 H                 -3.74990000   11.23980000    8.31480000
 C                 -3.77010000   13.36100000   10.67520000
 H                 -3.08490000   12.69140000   10.88250000
 H                 -4.63250000   13.06830000   11.03810000
 H                 -3.52090000   14.21900000   11.07680000
 C                 -5.12830000   14.87340000    8.35040000
 H                 -5.04580000   15.63170000    8.96560000
 H                 -6.03720000   14.51000000    8.39990000
 H                 -4.94600000   15.17350000    7.43550000
 C                  2.34850000   12.63320000    8.56460000
 C                  2.37500000   11.24600000    8.31810000
 C                  3.05100000   10.40100000    9.19440000
 H                  3.05240000    9.46600000    9.02690000
 C                  3.72570000   10.89150000   10.31080000
 C                  3.67040000   12.25060000   10.56450000
 H                  4.10710000   12.59760000   11.33350000
 C                  2.98770000   13.12230000    9.71680000
 C                  2.93260000   14.59350000   10.05960000
 H                  2.91230000   15.12080000    9.23370000
 H                  3.72430000   14.83690000   10.58320000
 H                  2.12510000   14.77670000   10.58390000
 C                  1.70320000   10.66900000    7.09450000
 H                  0.79830000   11.03650000    7.01470000
 H                  1.65360000    9.69380000    7.17830000
 H                  2.22210000   10.90220000    6.29650000
 C                  4.52250000    9.97370000   11.20710000
 H                  4.05090000    9.11990000   11.30220000
 H                  4.62820000   10.38860000   12.08850000
 H                  5.40550000    9.81690000   10.81170000
 S                  3.87560000   13.22520000    5.90550000
 S                 -0.79880000   13.21180000    8.67420000
 Si                 5.64150000   13.71610000    3.38790000
 Si                -3.90870000   13.55640000    8.82450000
 B                  1.70770000   13.68900000   27.36870000
 C                 -0.26650000   18.65670000   25.47820000
 H                 -0.82010000   19.42830000   25.50530000
 C                  0.96320000   18.68720000   24.82440000
 H                  1.26370000   19.48330000   24.40200000
 C                  1.73470000   17.55290000   24.79830000
 H                  2.57080000   17.58950000   24.34860000
 C                  1.35650000   16.33740000   25.40080000
 C                  0.10820000   16.30210000   26.08070000
 C                 -0.66450000   17.48310000   26.08620000
 H                 -1.50330000   17.46950000   26.53200000
 C                  2.32250000   15.22820000   25.26920000
 C                  3.28150000   15.17320000   24.20310000
 H                  3.28970000   15.80360000   23.49240000
 C                  4.18710000   14.14320000   24.28400000
 C                  2.51220000   14.17950000   26.17770000
 C                 -0.45230000   15.16770000   26.84040000
 C                  0.26240000   14.16770000   27.49910000
 C                 -2.20980000   14.04770000   27.97220000
 C                 -1.86200000   15.06040000   27.11040000
 H                 -2.50280000   15.64480000   26.72270000
 C                  5.41760000   14.56200000   21.54790000
 H                  4.58900000   14.24890000   21.12880000
 H                  6.17750000   14.35350000   20.96520000
 H                  5.36810000   15.53100000   21.68580000
 C                  7.18770000   14.32600000   24.02570000
 H                  7.14840000   15.30160000   24.11410000
 H                  7.97110000   14.07810000   23.49170000
 H                  7.25650000   13.92030000   24.91490000
 C                  5.70750000   11.85790000   23.00570000
 H                  5.80440000   11.44910000   23.89120000
 H                  6.47360000   11.60990000   22.44640000
 H                  4.88100000   11.53950000   22.58730000
 C                 -4.40390000   11.92640000   27.86270000
 H                 -4.43470000   12.01430000   26.88710000
 H                 -5.28940000   11.66800000   28.19500000
 H                 -3.74990000   11.23980000   28.10860000
 C                 -3.77010000   13.36100000   30.46900000
 H                 -3.08490000   12.69140000   30.67630000
 H                 -4.63250000   13.06830000   30.83190000
 H                 -3.52090000   14.21900000   30.87060000
 C                 -5.12830000   14.87340000   28.14420000
 H                 -5.04580000   15.63170000   28.75940000
 H                 -6.03720000   14.51000000   28.19370000
 H                 -4.94600000   15.17350000   27.22930000
 C                  2.34850000   12.63320000   28.35840000
 C                  2.37500000   11.24600000   28.11190000
 C                  3.05100000   10.40100000   28.98820000
 H                  3.05240000    9.46600000   28.82070000
 C                  3.72570000   10.89150000   30.10460000
 C                  3.67040000   12.25060000   30.35830000
 H                  4.10710000   12.59760000   31.12730000
 C                  2.98770000   13.12230000   29.51060000
 C                  2.93260000   14.59350000   29.85340000
 H                  2.91230000   15.12080000   29.02750000
 H                  3.72430000   14.83690000   30.37700000
 H                  2.12510000   14.77670000   30.37770000
 C                  1.70320000   10.66900000   26.88830000
 H                  0.79830000   11.03650000   26.80850000
 H                  1.65360000    9.69380000   26.97210000
 H                  2.22210000   10.90220000   26.09030000
 C                  4.52250000    9.97370000   31.00090000
 H                  4.05090000    9.11990000   31.09600000
 H                  4.62820000   10.38860000   31.88230000
 H                  5.40550000    9.81690000   30.60550000
 S                  3.87560000   13.22520000   25.69930000
 S                 -0.79880000   13.21180000   28.46800000
 Si                 5.64150000   13.71610000   23.18170000
 Si                -3.90870000   13.55640000   28.61830000
1328
NEDA_OHex-H-Mes_CR
 S                  5.55950000   17.43640000   20.77180000
 S                  1.51610000   14.91480000   18.21690000
 O                 -1.50660000   21.44270000   19.52240000
 O                  0.45070000   22.66950000   20.71380000
 C                  7.13240000   13.24510000   15.78450000
 H                  6.93590000   13.41650000   14.83980000
 H                  6.97370000   12.29900000   15.98480000
 H                  8.06960000   13.46510000   15.96830000
 C                  6.23670000   14.09910000   16.64770000
 C                  5.85060000   15.36380000   16.22410000
 H                  6.15880000   15.68470000   15.38470000
 C                  5.02340000   16.17430000   16.99780000
 C                  4.55880000   15.72390000   18.24620000
 C                  4.96850000   14.44880000   18.69750000
 C                  5.79380000   13.65650000   17.88990000
 H                  6.05730000   12.79720000   18.19750000
 C                  4.61720000   17.53160000   16.47000000
 H                  4.96310000   18.23000000   17.06430000
 H                  3.63960000   17.58880000   16.43320000
 H                  4.98590000   17.65610000   15.57060000
 C                  4.50810000   13.91650000   20.03240000
 H                  4.62780000   14.60640000   20.71800000
 H                  5.03680000   13.12590000   20.26880000
 H                  3.56080000   13.67150000   19.97740000
 C                  2.03780000   16.44090000   18.86010000
 C                  0.93460000   17.22520000   19.21240000
 C                  0.95130000   18.62990000   19.67650000
 C                  2.01400000   19.29240000   20.32790000
 C                  3.31430000   18.70940000   20.70910000
 C                  3.98610000   17.65810000   20.07430000
 C                  5.32990000   18.68990000   21.90500000
 H                  5.97210000   18.94430000   22.55720000
 C                  4.11400000   19.28010000   21.75950000
 H                  3.81960000   20.00270000   22.30140000
 C                 -0.12570000   15.28320000   18.45580000
 H                 -0.83850000   14.68770000   18.25600000
 C                 -0.29850000   16.53350000   18.96770000
 H                 -1.15210000   16.91080000   19.14530000
 C                 -0.23250000   19.36910000   19.42030000
 H                 -0.95040000   18.92910000   18.98030000
 C                 -0.39730000   20.68820000   19.77420000
 C                  0.66990000   21.35600000   20.41670000
 C                  1.83290000   20.66020000   20.67050000
 H                  2.54880000   21.11750000   21.09540000
 C                 -2.55850000   20.79550000   18.79050000
 H                 -2.87220000   19.99970000   19.28900000
 H                 -2.21800000   20.49520000   17.91070000
 C                 -3.70950000   21.76200000   18.59160000
 H                 -3.39380000   22.56730000   18.10990000
 H                 -4.06700000   22.04560000   19.47020000
 C                 -4.80190000   21.07120000   17.78610000
 H                 -5.09370000   20.26500000   18.28090000
 H                 -4.41390000   20.76870000   16.92700000
 C                 -6.03140000   21.92570000   17.48660000
 H                 -5.76180000   22.70190000   16.93440000
 H                 -6.40260000   22.27140000   18.33680000
 C                 -7.11400000   21.13590000   16.74950000
 H                 -7.31090000   20.30980000   17.25820000
 H                 -7.94240000   21.67710000   16.72050000
 C                 -6.72230000   20.75970000   15.33220000
 H                 -6.49070000   21.56950000   14.83130000
 H                 -7.47360000   20.30820000   14.89430000
 H                 -5.94870000   20.15810000   15.35590000
 C                  1.55070000   23.45140000   21.21670000
 H                  2.25050000   23.54570000   20.52280000
 H                  1.95000000   23.01260000   22.00920000
 C                  0.99710000   24.80800000   21.59150000
 H                  0.30030000   24.69420000   22.28540000
 H                  0.57050000   25.21570000   20.79650000
 C                  2.07830000   25.74830000   22.11700000
 H                  2.77770000   25.85960000   21.42530000
 H                  2.50140000   25.34440000   22.91560000
 C                  1.51340000   27.11860000   22.48590000
 H                  1.09610000   27.51770000   21.68180000
 H                  0.80230000   26.99740000   23.16400000
 C                  2.54790000   28.08900000   23.03170000
 H                  3.26620000   28.21120000   22.36140000
 H                  2.95550000   27.70610000   23.84860000
 C                  1.93290000   29.44870000   23.36520000
 H                  1.60840000   29.87090000   22.54250000
 H                  2.61180000   30.02100000   23.78020000
 H                  1.18530000   29.32550000   23.98630000
 B                  3.53720000   16.63630000   19.03970000
 S                  7.68960000   -7.23890000    5.37350000
 S                  3.64620000   -9.76050000    2.81870000
 O                  0.62350000   -3.23260000    4.12410000
 O                  2.58080000   -2.00570000    5.31550000
 C                  9.26260000  -11.43020000    0.38620000
 H                  9.06610000  -11.25880000   -0.55840000
 H                  9.10380000  -12.37620000    0.58650000
 H                 10.19980000  -11.21020000    0.57000000
 C                  8.36690000  -10.57610000    1.24940000
 C                  7.98080000   -9.31140000    0.82580000
 H                  8.28900000   -8.99050000   -0.01360000
 C                  7.15350000   -8.50100000    1.59960000
 C                  6.68890000   -8.95140000    2.84790000
 C                  7.09860000  -10.22650000    3.29920000
 C                  7.92390000  -11.01870000    2.49160000
 H                  8.18740000  -11.87800000    2.79920000
 C                  6.74730000   -7.14360000    1.07170000
 H                  7.09320000   -6.44520000    1.66600000
 H                  5.76980000   -7.08650000    1.03490000
 H                  7.11600000   -7.01910000    0.17230000
 C                  6.63830000  -10.75880000    4.63410000
 H                  6.75790000  -10.06880000    5.31970000
 H                  7.16690000  -11.54930000    4.87050000
 H                  5.69100000  -11.00370000    4.57910000
 C                  4.16790000   -8.23430000    3.46180000
 C                  3.06470000   -7.45010000    3.81420000
 C                  3.08140000   -6.04530000    4.27830000
 C                  4.14410000   -5.38280000    4.92960000
 C                  5.44450000   -5.96580000    5.31090000
 C                  6.11630000   -7.01710000    4.67600000
 C                  7.46000000   -5.98530000    6.50670000
 H                  8.10220000   -5.73090000    7.15890000
 C                  6.24410000   -5.39510000    6.36120000
 H                  5.94980000   -4.67250000    6.90310000
 C                  2.00440000   -9.39210000    3.05750000
 H                  1.29160000   -9.98750000    2.85770000
 C                  1.83160000   -8.14170000    3.56950000
 H                  0.97810000   -7.76440000    3.74700000
 C                  1.89760000   -5.30610000    4.02200000
 H                  1.17970000   -5.74610000    3.58210000
 C                  1.73290000   -3.98710000    4.37590000
 C                  2.80010000   -3.31920000    5.01850000
 C                  3.96300000   -4.01510000    5.27220000
 H                  4.67900000   -3.55770000    5.69710000
 C                 -0.42830000   -3.87970000    3.39220000
 H                 -0.74210000   -4.67550000    3.89070000
 H                 -0.08790000   -4.18010000    2.51240000
 C                 -1.57940000   -2.91320000    3.19330000
 H                 -1.26370000   -2.10790000    2.71160000
 H                 -1.93690000   -2.62970000    4.07190000
 C                 -2.67170000   -3.60400000    2.38780000
 H                 -2.96360000   -4.41030000    2.88260000
 H                 -2.28380000   -3.90650000    1.52870000
 C                 -3.90130000   -2.74950000    2.08830000
 H                 -3.63170000   -1.97330000    1.53610000
 H                 -4.27240000   -2.40380000    2.93850000
 C                 -4.98390000   -3.53930000    1.35120000
 H                 -5.18080000   -4.36550000    1.85990000
 H                 -5.81230000   -2.99820000    1.32220000
 C                 -4.59220000   -3.91550000   -0.06610000
 H                 -4.36050000   -3.10570000   -0.56700000
 H                 -5.34350000   -4.36700000   -0.50390000
 H                 -3.81850000   -4.51710000   -0.04240000
 C                  3.68080000   -1.22380000    5.81840000
 H                  4.38070000   -1.12950000    5.12460000
 H                  4.08010000   -1.66270000    6.61090000
 C                  3.12720000    0.13280000    6.19320000
 H                  2.43040000    0.01890000    6.88710000
 H                  2.70060000    0.54040000    5.39820000
 C                  4.20840000    1.07300000    6.71870000
 H                  4.90790000    1.18440000    6.02700000
 H                  4.63150000    0.66910000    7.51740000
 C                  3.64350000    2.44340000    7.08770000
 H                  3.22630000    2.84250000    6.28350000
 H                  2.93240000    2.32220000    7.76580000
 C                  4.67810000    3.41380000    7.63340000
 H                  5.39630000    3.53600000    6.96310000
 H                  5.08570000    3.03080000    8.45030000
 C                  4.06300000    4.77350000    7.96690000
 H                  3.73860000    5.19570000    7.14430000
 H                  4.74190000    5.34580000    8.38190000
 H                  3.31540000    4.65030000    8.58810000
 B                  5.66730000   -8.03890000    3.64140000
 S                  9.65910000    3.86730000    5.37350000
 S                  5.61570000    1.34580000    2.81870000
 O                  2.59300000    7.87370000    4.12410000
 O                  4.55030000    9.10050000    5.31550000
 C                 11.23210000   -0.32400000    0.38620000
 H                 11.03560000   -0.15260000   -0.55840000
 H                 11.07330000   -1.27000000    0.58650000
 H                 12.16930000   -0.10390000    0.57000000
 C                 10.33640000    0.53010000    1.24940000
 C                  9.95030000    1.79480000    0.82580000
 H                 10.25850000    2.11570000   -0.01360000
 C                  9.12300000    2.60520000    1.59960000
 C                  8.65840000    2.15490000    2.84790000
 C                  9.06810000    0.87970000    3.29920000
 C                  9.89340000    0.08750000    2.49160000
 H                 10.15700000   -0.77180000    2.79920000
 C                  8.71690000    3.96260000    1.07170000
 H                  9.06280000    4.66100000    1.66600000
 H                  7.73930000    4.01970000    1.03490000
 H                  9.08550000    4.08710000    0.17230000
 C                  8.60780000    0.34750000    4.63410000
 H                  8.72750000    1.03740000    5.31970000
 H                  9.13640000   -0.44310000    4.87050000
 H                  7.66050000    0.10250000    4.57910000
 C                  6.13740000    2.87190000    3.46180000
 C                  5.03430000    3.65610000    3.81420000
 C                  5.05090000    5.06090000    4.27830000
 C                  6.11370000    5.72340000    4.92960000
 C                  7.41400000    5.14040000    5.31090000
 C                  8.08580000    4.08910000    4.67600000
 C                  9.42950000    5.12090000    6.50670000
 H                 10.07180000    5.37530000    7.15890000
 C                  8.21360000    5.71110000    6.36120000
 H                  7.91930000    6.43370000    6.90310000
 C                  3.97390000    1.71410000    3.05750000
 H                  3.26120000    1.11870000    2.85770000
 C                  3.80120000    2.96450000    3.56950000
 H                  2.94760000    3.34180000    3.74700000
 C                  3.86710000    5.80010000    4.02200000
 H                  3.14930000    5.36010000    3.58210000
 C                  3.70240000    7.11920000    4.37590000
 C                  4.76960000    7.78700000    5.01850000
 C                  5.93250000    7.09120000    5.27220000
 H                  6.64850000    7.54850000    5.69710000
 C                  1.54120000    7.22650000    3.39220000
 H                  1.22750000    6.43070000    3.89070000
 H                  1.88160000    6.92610000    2.51240000
 C                  0.39010000    8.19300000    3.19330000
 H                  0.70580000    8.99830000    2.71160000
 H                  0.03270000    8.47660000    4.07190000
 C                 -0.70220000    7.50220000    2.38780000
 H                 -0.99410000    6.69600000    2.88260000
 H                 -0.31420000    7.19970000    1.52870000
 C                 -1.93180000    8.35670000    2.08830000
 H                 -1.66220000    9.13290000    1.53610000
 H                 -2.30290000    8.70240000    2.93850000
 C                 -3.01440000    7.56690000    1.35120000
 H                 -3.21130000    6.74070000    1.85990000
 H                 -3.84280000    8.10810000    1.32220000
 C                 -2.62260000    7.19070000   -0.06610000
 H                 -2.39100000    8.00050000   -0.56700000
 H                 -3.37400000    6.73920000   -0.50390000
 H                 -1.84900000    6.58910000   -0.04240000
 C                  5.65040000    9.88240000    5.81840000
 H                  6.35020000    9.97670000    5.12460000
 H                  6.04970000    9.44360000    6.61090000
 C                  5.09680000   11.23900000    6.19320000
 H                  4.39990000   11.12510000    6.88710000
 H                  4.67010000   11.64670000    5.39820000
 C                  6.17790000   12.17930000    6.71870000
 H                  6.87740000   12.29060000    6.02700000
 H                  6.60100000   11.77530000    7.51740000
 C                  5.61300000   13.54960000    7.08770000
 H                  5.19580000   13.94870000    6.28350000
 H                  4.90200000   13.42840000    7.76580000
 C                  6.64760000   14.52000000    7.63340000
 H                  7.36580000   14.64220000    6.96310000
 H                  7.05520000   14.13700000    8.45030000
 C                  6.03250000   15.87970000    7.96690000
 H                  5.70810000   16.30190000    7.14430000
 H                  6.71140000   16.45200000    8.38190000
 H                  5.28500000   15.75650000    8.58810000
 B                  7.63680000    3.06730000    3.64140000
 S                 12.67950000    6.33010000   20.77180000
 S                  8.63610000    3.80850000   18.21690000
 O                  5.61340000   10.33650000   19.52240000
 O                  7.57080000   11.56330000   20.71380000
 C                 14.25250000    2.13880000   15.78450000
 H                 14.05600000    2.31020000   14.83980000
 H                 14.09380000    1.19280000   15.98480000
 H                 15.18970000    2.35880000   15.96830000
 C                 13.35680000    2.99290000   16.64770000
 C                 12.97070000    4.25760000   16.22410000
 H                 13.27890000    4.57850000   15.38470000
 C                 12.14340000    5.06800000   16.99780000
 C                 11.67880000    4.61770000   18.24620000
 C                 12.08850000    3.34250000   18.69750000
 C                 12.91380000    2.55030000   17.88990000
 H                 13.17740000    1.69100000   18.19750000
 C                 11.73730000    6.42540000   16.47000000
 H                 12.08320000    7.12380000   17.06430000
 H                 10.75970000    6.48250000   16.43320000
 H                 12.10600000    6.54990000   15.57060000
 C                 11.62820000    2.81030000   20.03240000
 H                 11.74790000    3.50020000   20.71800000
 H                 12.15690000    2.01970000   20.26880000
 H                 10.68090000    2.56530000   19.97740000
 C                  9.15790000    5.33470000   18.86010000
 C                  8.05470000    6.11890000   19.21240000
 C                  8.07140000    7.52370000   19.67650000
 C                  9.13410000    8.18620000   20.32790000
 C                 10.43440000    7.60320000   20.70910000
 C                 11.10620000    6.55190000   20.07430000
 C                 12.45000000    7.58370000   21.90500000
 H                 13.09220000    7.83810000   22.55720000
 C                 11.23400000    8.17390000   21.75950000
 H                 10.93970000    8.89650000   22.30140000
 C                  6.99430000    4.17690000   18.45580000
 H                  6.28160000    3.58150000   18.25600000
 C                  6.82160000    5.42730000   18.96770000
 H                  5.96800000    5.80460000   19.14530000
 C                  6.88750000    8.26290000   19.42030000
 H                  6.16970000    7.82290000   18.98030000
 C                  6.72280000    9.58200000   19.77420000
 C                  7.79000000   10.24980000   20.41670000
 C                  8.95290000    9.55390000   20.67050000
 H                  9.66890000   10.01130000   21.09540000
 C                  4.56160000    9.68930000   18.79050000
 H                  4.24790000    8.89350000   19.28900000
 H                  4.90210000    9.38890000   17.91070000
 C                  3.41060000   10.65580000   18.59160000
 H                  3.72630000   11.46110000   18.10990000
 H                  3.05310000   10.93940000   19.47020000
 C                  2.31820000    9.96500000   17.78610000
 H                  2.02640000    9.15880000   18.28090000
 H                  2.70620000    9.66250000   16.92700000
 C                  1.08870000   10.81950000   17.48660000
 H                  1.35830000   11.59570000   16.93440000
 H                  0.71750000   11.16520000   18.33680000
 C                  0.00600000   10.02970000   16.74950000
 H                 -0.19090000    9.20350000   17.25820000
 H                 -0.82240000   10.57090000   16.72050000
 C                  0.39780000    9.65350000   15.33220000
 H                  0.62940000   10.46330000   14.83130000
 H                 -0.35350000    9.20200000   14.89430000
 H                  1.17140000    9.05190000   15.35590000
 C                  8.67080000   12.34520000   21.21670000
 H                  9.37060000   12.43950000   20.52280000
 H                  9.07010000   11.90640000   22.00920000
 C                  8.11720000   13.70180000   21.59150000
 H                  7.42030000   13.58790000   22.28540000
 H                  7.69050000   14.10950000   20.79650000
 C                  9.19830000   14.64210000   22.11700000
 H                  9.89780000   14.75340000   21.42530000
 H                  9.62150000   14.23810000   22.91560000
 C                  8.63350000   16.01240000   22.48590000
 H                  8.21620000   16.41150000   21.68180000
 H                  7.92240000   15.89120000   23.16400000
 C                  9.66800000   16.98280000   23.03170000
 H                 10.38620000   17.10500000   22.36140000
 H                 10.07560000   16.59980000   23.84860000
 C                  9.05300000   18.34250000   23.36520000
 H                  8.72850000   18.76470000   22.54250000
 H                  9.73190000   18.91480000   23.78020000
 H                  8.30540000   18.21930000   23.98630000
 B                 10.65720000    5.53010000   19.03970000
 S                 16.77920000   -7.23890000    5.37350000
 S                 12.73580000   -9.76050000    2.81870000
 O                  9.71310000   -3.23260000    4.12410000
 O                 11.67040000   -2.00570000    5.31550000
 C                 18.35220000  -11.43020000    0.38620000
 H                 18.15570000  -11.25880000   -0.55840000
 H                 18.19340000  -12.37620000    0.58650000
 H                 19.28940000  -11.21020000    0.57000000
 C                 17.45650000  -10.57610000    1.24940000
 C                 17.07040000   -9.31140000    0.82580000
 H                 17.37860000   -8.99050000   -0.01360000
 C                 16.24310000   -8.50100000    1.59960000
 C                 15.77850000   -8.95140000    2.84790000
 C                 16.18820000  -10.22650000    3.29920000
 C                 17.01350000  -11.01870000    2.49160000
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 H                 18.25210000   -0.87900000   11.65120000
 C                 17.33250000   -3.33730000   11.37620000
 H                 18.05040000   -2.89730000   11.81620000
 C                 17.49730000   -4.65640000   11.02240000
 C                 16.43000000   -5.32420000   10.37980000
 C                 15.26710000   -4.62840000   10.12610000
 H                 14.55110000   -5.08570000    9.70120000
 C                 19.65840000   -4.76370000   12.00600000
 H                 19.97220000   -3.96790000   11.50760000
 H                 19.31800000   -4.46330000   12.88580000
 C                 20.80950000   -5.73020000   12.20500000
 H                 20.49380000   -6.53550000   12.68670000
 H                 21.16700000   -6.01380000   11.32640000
 C                 21.90190000   -5.03940000   13.01050000
 H                 22.19370000   -4.23320000   12.51560000
 H                 21.51390000   -4.73690000   13.86960000
 C                 23.13140000   -5.89390000   13.31000000
 H                 22.86180000   -6.67010000   13.86210000
 H                 23.50250000   -6.23960000   12.45970000
 C                 24.21400000   -5.10410000   14.04710000
 H                 24.41090000   -4.27790000   13.53840000
 H                 25.04240000   -5.64530000   14.07600000
 C                 23.82230000   -4.72790000   15.46430000
 H                 23.59060000   -5.53770000   15.96530000
 H                 24.57360000   -4.27640000   15.90220000
 H                 23.04860000   -4.12630000   15.44060000
 C                 15.54930000   -7.41960000    9.57990000
 H                 14.84940000   -7.51390000   10.27370000
 H                 15.15000000   -6.98080000    8.78730000
 C                 16.10290000   -8.77620000    9.20510000
 H                 16.79970000   -8.66240000    8.51120000
 H                 16.52950000   -9.18390000   10.00010000
 C                 15.02170000   -9.71650000    8.67950000
 H                 14.32220000   -9.82780000    9.37130000
 H                 14.59860000   -9.31250000    7.88090000
 C                 15.58660000  -11.08680000    8.31060000
 H                 16.00380000  -11.48590000    9.11480000
 H                 16.29770000  -10.96560000    7.63250000
 C                 14.55200000  -12.05720000    7.76490000
 H                 13.83380000  -12.17940000    8.43520000
 H                 14.14440000  -11.67420000    6.94800000
 C                 15.16710000  -13.41690000    7.43140000
 H                 15.49150000  -13.83910000    8.25400000
 H                 14.48820000  -13.98920000    7.01630000
 H                 15.91470000  -13.29370000    6.81020000
 B                 13.56280000   -0.60450000   11.75690000
 S                 13.51010000    9.70170000   10.02470000
 S                 17.55340000   12.22330000   12.57960000
 O                 20.57610000    5.69540000   11.27420000
 O                 18.61880000    4.46850000   10.08280000
 C                 11.93710000   13.89300000   15.01210000
 H                 12.13360000   13.72160000   15.95670000
 H                 12.09580000   14.83900000   14.81180000
 H                 10.99990000   13.67300000   14.82830000
 C                 12.83280000   13.03890000   14.14890000
 C                 13.21890000   11.77420000   14.57250000
 H                 12.91070000   11.45330000   15.41190000
 C                 14.04610000   10.96380000   13.79870000
 C                 14.51070000   11.41420000   12.55040000
 C                 14.10100000   12.68930000   12.09900000
 C                 13.27570000   13.48150000   12.90670000
 H                 13.01220000   14.34080000   12.59910000
 C                 14.45230000    9.60640000   14.32660000
 H                 14.10640000    8.90800000   13.73220000
 H                 15.42990000    9.54930000   14.36330000
 H                 14.08360000    9.48190000   15.22590000
 C                 14.56140000   13.22160000   10.76420000
 H                 14.44170000   12.53160000   10.07850000
 H                 14.03270000   14.01210000   10.52780000
 H                 15.50870000   13.46650000   10.81920000
 C                 17.03170000   10.69710000   11.93640000
 C                 18.13490000    9.91290000   11.58410000
 C                 18.11820000    8.50810000   11.12000000
 C                 17.05550000    7.84560000   10.46870000
 C                 15.75520000    8.42860000   10.08740000
 C                 15.08340000    9.47990000   10.72230000
 C                 13.73960000    8.44810000    8.89160000
 H                 13.09740000    8.19370000    8.23930000
 C                 14.95550000    7.85790000    9.03710000
 H                 15.24990000    7.13530000    8.49520000
 C                 19.19520000   11.85490000   12.34080000
 H                 19.90800000   12.45030000   12.54050000
 C                 19.36800000   10.60450000   11.82880000
 H                 20.22160000   10.22720000   11.65120000
 C                 19.30200000    7.76890000   11.37620000
 H                 20.01990000    8.20890000   11.81620000
 C                 19.46680000    6.44990000   11.02240000
 C                 18.39960000    5.78200000   10.37980000
 C                 17.23660000    6.47790000   10.12610000
 H                 16.52070000    6.02050000    9.70120000
 C                 21.62800000    6.34250000   12.00600000
 H                 21.94170000    7.13830000   11.50760000
 H                 21.28750000    6.64290000   12.88580000
 C                 22.77900000    5.37600000   12.20500000
 H                 22.46330000    4.57070000   12.68670000
 H                 23.13650000    5.09250000   11.32640000
 C                 23.87140000    6.06680000   13.01050000
 H                 24.16320000    6.87310000   12.51560000
 H                 23.48340000    6.36930000   13.86960000
 C                 25.10090000    5.21230000   13.31000000
 H                 24.83130000    4.43610000   13.86210000
 H                 25.47210000    4.86660000   12.45970000
 C                 26.18350000    6.00210000   14.04710000
 H                 26.38040000    6.82830000   13.53840000
 H                 27.01190000    5.46100000   14.07600000
 C                 25.79180000    6.37830000   15.46430000
 H                 25.56020000    5.56850000   15.96530000
 H                 26.54310000    6.82980000   15.90220000
 H                 25.01820000    6.97990000   15.44060000
 C                 17.51880000    3.68660000    9.57990000
 H                 16.81900000    3.59230000   10.27370000
 H                 17.11950000    4.12550000    8.78730000
 C                 18.07240000    2.33000000    9.20510000
 H                 18.76920000    2.44390000    8.51120000
 H                 18.49900000    1.92240000   10.00010000
 C                 16.99120000    1.38980000    8.67950000
 H                 16.29180000    1.27840000    9.37130000
 H                 16.56810000    1.79370000    7.88090000
 C                 17.55610000    0.01940000    8.31060000
 H                 17.97340000   -0.37970000    9.11480000
 H                 18.26720000    0.14060000    7.63250000
 C                 16.52160000   -0.95100000    7.76490000
 H                 15.80330000   -1.07320000    8.43520000
 H                 16.11400000   -0.56800000    6.94800000
 C                 17.13660000   -2.31070000    7.43140000
 H                 17.46110000   -2.73290000    8.25400000
 H                 16.45770000   -2.88300000    7.01630000
 H                 17.88420000   -2.18750000    6.81020000
 B                 15.53230000   10.50170000   11.75690000
 S                 20.63010000   -1.40450000   10.02470000
 S                 24.67350000    1.11700000   12.57960000
 O                 27.69620000   -5.41090000   11.27420000
 O                 25.73890000   -6.63770000   10.08280000
 C                 19.05710000    2.78670000   15.01210000
 H                 19.25370000    2.61540000   15.95670000
 H                 19.21590000    3.73280000   14.81180000
 H                 18.11990000    2.56670000   14.82830000
 C                 19.95280000    1.93270000   14.14890000
 C                 20.33890000    0.66800000   14.57250000
 H                 20.03070000    0.34710000   15.41190000
 C                 21.16620000   -0.14240000   13.79870000
 C                 21.63080000    0.30790000   12.55040000
 C                 21.22110000    1.58300000   12.09900000
 C                 20.39580000    2.37530000   12.90670000
 H                 20.13230000    3.23460000   12.59910000
 C                 21.57240000   -1.49980000   14.32660000
 H                 21.22650000   -2.19820000   13.73220000
 H                 22.54990000   -1.55690000   14.36330000
 H                 21.20370000   -1.62430000   15.22590000
 C                 21.68140000    2.11530000   10.76420000
 H                 21.56180000    1.42540000   10.07850000
 H                 21.15280000    2.90590000   10.52780000
 H                 22.62870000    2.36030000   10.81920000
 C                 24.15180000   -0.40910000   11.93640000
 C                 25.25500000   -1.19330000   11.58410000
 C                 25.23830000   -2.59810000   11.12000000
 C                 24.17560000   -3.26060000   10.46870000
 C                 22.87530000   -2.67760000   10.08740000
 C                 22.20350000   -1.62630000   10.72230000
 C                 20.85970000   -2.65810000    8.89160000
 H                 20.21750000   -2.91250000    8.23930000
 C                 22.07560000   -3.24830000    9.03710000
 H                 22.37000000   -3.97090000    8.49520000
 C                 26.31530000    0.74870000   12.34080000
 H                 27.02810000    1.34410000   12.54050000
 C                 26.48810000   -0.50170000   11.82880000
 H                 27.34170000   -0.87900000   11.65120000
 C                 26.42210000   -3.33730000   11.37620000
 H                 27.14000000   -2.89730000   11.81620000
 C                 26.58690000   -4.65640000   11.02240000
 C                 25.51960000   -5.32420000   10.37980000
 C                 24.35670000   -4.62840000   10.12610000
 H                 23.64070000   -5.08570000    9.70120000
 C                 28.74800000   -4.76370000   12.00600000
 H                 29.06180000   -3.96790000   11.50760000
 H                 28.40760000   -4.46330000   12.88580000
 C                 29.89910000   -5.73020000   12.20500000
 H                 29.58340000   -6.53550000   12.68670000
 H                 30.25660000   -6.01380000   11.32640000
 C                 30.99150000   -5.03940000   13.01050000
 H                 31.28330000   -4.23320000   12.51560000
 H                 30.60350000   -4.73690000   13.86960000
 C                 32.22100000   -5.89390000   13.31000000
 H                 31.95140000   -6.67010000   13.86210000
 H                 32.59210000   -6.23960000   12.45970000
 C                 33.30360000   -5.10410000   14.04710000
 H                 33.50050000   -4.27790000   13.53840000
 H                 34.13200000   -5.64530000   14.07600000
 C                 32.91190000   -4.72790000   15.46430000
 H                 32.68020000   -5.53770000   15.96530000
 H                 33.66320000   -4.27640000   15.90220000
 H                 32.13820000   -4.12630000   15.44060000
 C                 24.63890000   -7.41960000    9.57990000
 H                 23.93900000   -7.51390000   10.27370000
 H                 24.23960000   -6.98080000    8.78730000
 C                 25.19250000   -8.77620000    9.20510000
 H                 25.88930000   -8.66240000    8.51120000
 H                 25.61910000   -9.18390000   10.00010000
 C                 24.11130000   -9.71650000    8.67950000
 H                 23.41180000   -9.82780000    9.37130000
 H                 23.68820000   -9.31250000    7.88090000
 C                 24.67620000  -11.08680000    8.31060000
 H                 25.09340000  -11.48590000    9.11480000
 H                 25.38730000  -10.96560000    7.63250000
 C                 23.64160000  -12.05720000    7.76490000
 H                 22.92340000  -12.17940000    8.43520000
 H                 23.23400000  -11.67420000    6.94800000
 C                 24.25670000  -13.41690000    7.43140000
 H                 24.58110000  -13.83910000    8.25400000
 H                 23.57780000  -13.98920000    7.01630000
 H                 25.00430000  -13.29370000    6.81020000
 B                 22.65240000   -0.60450000   11.75690000
1305
NEDA_OHex-H-Mes_CB
 B                 -5.58650000    8.70010000   10.39920000
 C                 -7.30920000   10.98130000    7.72320000
 H                 -7.94540000   11.29680000    7.09160000
 C                 -6.08980000   11.51100000    7.88750000
 H                 -5.77050000   12.23930000    7.36770000
 C                 -5.31160000   10.89080000    8.90730000
 C                 -6.00870000    9.82220000    9.47410000
 C                 -3.99260000   11.41090000    9.33650000
 C                 -3.76450000   12.76570000    8.98420000
 H                 -4.45190000   13.23060000    8.52080000
 C                 -2.61360000   13.43860000    9.27290000
 C                 -1.60380000   12.76720000    9.95960000
 C                 -1.80500000   11.45880000   10.32670000
 H                 -1.11620000   11.01700000   10.80880000
 C                 -2.98390000   10.73220000   10.02620000
 C                 -4.10110000    8.53060000   10.69670000
 C                 -2.98730000    9.33620000   10.48800000
 C                 -1.77900000    8.66010000   10.83440000
 H                 -0.92020000    9.05760000   10.76320000
 C                 -1.97890000    7.40230000   11.27400000
 H                 -1.27990000    6.81370000   11.53190000
 C                 -6.57060000    7.58840000   10.92170000
 C                 -6.83530000    6.42620000   10.18900000
 C                 -7.54190000    5.38390000   10.76180000
 H                 -7.69770000    4.59670000   10.25320000
 C                 -8.03360000    5.45720000   12.06140000
 C                 -7.79500000    6.62330000   12.76290000
 H                 -8.12500000    6.69760000   13.65050000
 C                 -7.09530000    7.68410000   12.22270000
 C                 -6.34940000    6.29320000    8.76670000
 H                 -6.42770000    5.35910000    8.48150000
 H                 -5.41220000    6.57380000    8.71470000
 H                 -6.89370000    6.86050000    8.18200000
 C                 -8.77520000    4.30570000   12.66970000
 H                 -8.85370000    4.44280000   13.63670000
 H                 -8.28590000    3.47430000   12.49630000
 H                 -9.66910000    4.24760000   12.27360000
 C                 -6.87880000    8.92910000   13.03080000
 H                 -7.37120000    8.86090000   13.87490000
 H                 -7.20030000    9.70550000   12.52640000
 H                 -5.92250000    9.03440000   13.21760000
 C                 -3.41320000   15.46300000    8.32410000
 H                 -4.22430000   15.44100000    8.89180000
 H                 -3.63260000   15.04900000    7.45220000
 C                 -2.96910000   16.88660000    8.11840000
 H                 -2.22410000   16.91440000    7.46850000
 H                 -2.64790000   17.26390000    8.97570000
 C                 -4.14200000   17.71530000    7.59740000
 H                 -4.44970000   17.32000000    6.74370000
 H                 -4.88750000   17.64560000    8.24430000
 C                 -3.84400000   19.16750000    7.36940000
 H                 -3.15130000   19.24970000    6.66680000
 H                 -3.48030000   19.55860000    8.20210000
 C                 -5.07240000   19.95250000    6.94760000
 H                 -5.28950000   19.72640000    6.00860000
 H                 -5.83840000   19.67240000    7.50910000
 C                 -4.90560000   21.44680000    7.06310000
 H                 -4.76270000   21.68860000    8.00140000
 H                 -5.71340000   21.89210000    6.73030000
 H                 -4.13380000   21.73150000    6.53040000
 C                  0.54880000   12.88840000   11.02830000
 H                  0.90290000   12.09820000   10.54750000
 H                  0.20210000   12.59380000   11.90680000
 C                  1.63520000   13.92130000   11.21180000
 H                  1.25990000   14.70240000   11.68970000
 H                  1.94000000   14.23020000   10.32110000
 C                  2.82530000   13.39730000   11.98290000
 H                  3.16260000   12.57780000   11.54190000
 H                  2.53580000   13.15220000   12.89770000
 C                  3.95520000   14.41570000   12.07470000
 H                  4.20660000   14.68870000   11.15630000
 H                  3.61630000   15.21980000   12.54200000
 C                  5.18540000   13.93510000   12.78220000
 H                  5.48520000   13.08670000   12.37020000
 H                  4.96200000   13.75020000   13.72910000
 C                  6.33290000   14.95380000   12.72740000
 H                  6.63900000   15.05190000   11.80080000
 H                  7.07540000   14.64120000   13.28470000
 H                  6.01750000   15.82060000   13.05940000
 O                 -2.35470000   14.73490000    8.95760000
 O                 -0.49010000   13.50780000   10.26600000
 S                 -7.58530000    9.67930000    8.77780000
 S                 -3.62270000    6.99110000   11.31410000
 B                 12.38450000    8.70010000   10.39920000
 C                 10.66180000   10.98130000    7.72320000
 H                 10.02560000   11.29680000    7.09160000
 C                 11.88120000   11.51100000    7.88750000
 H                 12.20050000   12.23930000    7.36770000
 C                 12.65940000   10.89080000    8.90730000
 C                 11.96230000    9.82220000    9.47410000
 C                 13.97840000   11.41090000    9.33650000
 C                 14.20650000   12.76570000    8.98420000
 H                 13.51910000   13.23060000    8.52080000
 C                 15.35740000   13.43860000    9.27290000
 C                 16.36720000   12.76720000    9.95960000
 C                 16.16600000   11.45880000   10.32670000
 H                 16.85480000   11.01700000   10.80880000
 C                 14.98710000   10.73220000   10.02620000
 C                 13.86990000    8.53060000   10.69670000
 C                 14.98370000    9.33620000   10.48800000
 C                 16.19200000    8.66010000   10.83440000
 H                 17.05080000    9.05760000   10.76320000
 C                 15.99210000    7.40230000   11.27400000
 H                 16.69110000    6.81370000   11.53190000
 C                 11.40040000    7.58840000   10.92170000
 C                 11.13570000    6.42620000   10.18900000
 C                 10.42910000    5.38390000   10.76180000
 H                 10.27330000    4.59670000   10.25320000
 C                  9.93740000    5.45720000   12.06140000
 C                 10.17600000    6.62330000   12.76290000
 H                  9.84600000    6.69760000   13.65050000
 C                 10.87570000    7.68410000   12.22270000
 C                 11.62160000    6.29320000    8.76670000
 H                 11.54330000    5.35910000    8.48150000
 H                 12.55880000    6.57380000    8.71470000
 H                 11.07730000    6.86050000    8.18200000
 C                  9.19580000    4.30570000   12.66970000
 H                  9.11730000    4.44280000   13.63670000
 H                  9.68510000    3.47430000   12.49630000
 H                  8.30190000    4.24760000   12.27360000
 C                 11.09220000    8.92910000   13.03080000
 H                 10.59980000    8.86090000   13.87490000
 H                 10.77070000    9.70550000   12.52640000
 H                 12.04850000    9.03440000   13.21760000
 C                 14.55780000   15.46300000    8.32410000
 H                 13.74670000   15.44100000    8.89180000
 H                 14.33840000   15.04900000    7.45220000
 C                 15.00190000   16.88660000    8.11840000
 H                 15.74690000   16.91440000    7.46850000
 H                 15.32310000   17.26390000    8.97570000
 C                 13.82900000   17.71530000    7.59740000
 H                 13.52130000   17.32000000    6.74370000
 H                 13.08350000   17.64560000    8.24430000
 C                 14.12700000   19.16750000    7.36940000
 H                 14.81970000   19.24970000    6.66680000
 H                 14.49070000   19.55860000    8.20210000
 C                 12.89860000   19.95250000    6.94760000
 H                 12.68150000   19.72640000    6.00860000
 H                 12.13260000   19.67240000    7.50910000
 C                 13.06540000   21.44680000    7.06310000
 H                 13.20830000   21.68860000    8.00140000
 H                 12.25760000   21.89210000    6.73030000
 H                 13.83720000   21.73150000    6.53040000
 C                 18.51980000   12.88840000   11.02830000
 H                 18.87390000   12.09820000   10.54750000
 H                 18.17310000   12.59380000   11.90680000
 C                 19.60620000   13.92130000   11.21180000
 H                 19.23090000   14.70240000   11.68970000
 H                 19.91100000   14.23020000   10.32110000
 C                 20.79630000   13.39730000   11.98290000
 H                 21.13360000   12.57780000   11.54190000
 H                 20.50680000   13.15220000   12.89770000
 C                 21.92620000   14.41570000   12.07470000
 H                 22.17760000   14.68870000   11.15630000
 H                 21.58730000   15.21980000   12.54200000
 C                 23.15640000   13.93510000   12.78220000
 H                 23.45620000   13.08670000   12.37020000
 H                 22.93300000   13.75020000   13.72910000
 C                 24.30390000   14.95380000   12.72740000
 H                 24.61000000   15.05190000   11.80080000
 H                 25.04640000   14.64120000   13.28470000
 H                 23.98850000   15.82060000   13.05940000
 O                 15.61630000   14.73490000    8.95760000
 O                 17.48090000   13.50780000   10.26600000
 S                 10.38570000    9.67930000    8.77780000
 S                 14.34830000    6.99110000   11.31410000
 B                 -2.78370000   -4.29640000   11.80240000
 C                 -1.06100000   -2.01520000   14.47840000
 H                 -0.42490000   -1.69970000   15.11000000
 C                 -2.28040000   -1.48550000   14.31410000
 H                 -2.59970000   -0.75720000   14.83390000
 C                 -3.05870000   -2.10570000   13.29430000
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 H                  8.28250000   17.73040000   10.97560000
 C                  8.83760000   18.90630000    9.42530000
 C                  8.68870000   20.18640000    8.91910000
 H                  9.12980000   20.41640000    8.11020000
 C                  7.91870000   21.13750000    9.55560000
 C                  6.71540000   19.13270000   12.54680000
 H                  5.82550000   18.77760000   12.33970000
 H                  6.62730000   19.91540000   13.12960000
 H                  7.24380000   18.44410000   13.00160000
 C                  9.65990000   17.87770000    8.70750000
 H                  9.62370000   18.04490000    7.74310000
 H                  9.30520000   16.98450000    8.89860000
 H                 10.58990000   17.93180000    9.01380000
 C                  7.76120000   22.51700000    8.95320000
 H                  8.34830000   22.60160000    8.17310000
 H                  8.00290000   23.19390000    9.61910000
 H                  6.83010000   22.64830000    8.67680000
 C                  3.96860000   28.40360000   13.94110000
 H                  4.75180000   28.46140000   13.33770000
 H                  4.25190000   27.96560000   14.78240000
 C                  3.43010000   29.77520000   14.22530000
 H                  2.63720000   29.69890000   14.81310000
 H                  3.14050000   30.19440000   13.37620000
 C                  4.45610000   30.65610000   14.88840000
 H                  5.18500000   30.84390000   14.24480000
 H                  4.84970000   30.17120000   15.65700000
 C                  3.87780000   31.97270000   15.37830000
 H                  3.44440000   32.43280000   14.61630000
 H                  3.17710000   31.78160000   16.05130000
 C                  4.89810000   32.90140000   15.98960000
 H                  5.54490000   33.17820000   15.29360000
 H                  5.39750000   32.41770000   16.69450000
 C                  4.25060000   34.14410000   16.59640000
 H                  3.75280000   34.62480000   15.90290000
 H                  4.94700000   34.72890000   16.96300000
 H                  3.63840000   33.87690000   17.31310000
 C                 -0.06210000   25.81830000   11.35680000
 H                 -0.30670000   24.93590000   11.73170000
 H                  0.23930000   25.68980000   10.42180000
 C                 -1.24400000   26.74970000   11.39830000
 H                 -2.00450000   26.32110000   10.93050000
 H                 -1.51090000   26.88390000   12.34280000
 C                 -0.98910000   28.06880000   10.78400000
 H                 -0.73790000   27.93780000    9.83530000
 H                 -0.22340000   28.49470000   11.24350000
 C                 -2.21040000   29.02120000   10.85360000
 H                 -2.46340000   29.15310000   11.80150000
 H                 -1.95370000   29.90270000   10.48330000
 C                 -3.41650000   28.49350000   10.08690000
 H                 -3.13250000   28.23950000    9.17390000
 H                 -3.75390000   27.67950000   10.53760000
 C                 -4.52910000   29.49690000    9.99220000
 H                 -4.75970000   29.81620000   10.88960000
 H                 -5.31500000   29.07560000    9.58420000
 H                 -4.24140000   30.25360000    9.44010000
 O                  2.91630000   27.64950000   13.31780000
 O                  0.98020000   26.41360000   12.13300000
 S                  8.18680000   22.63500000   13.09670000
 S                  4.29700000   20.27710000   10.11360000
 B                  8.99450000   17.16270000    3.95630000
 C                 10.70440000   15.14250000    6.86180000
 H                 11.34120000   14.88330000    7.51670000
 C                  9.48150000   14.59580000    6.74480000
 H                  9.16100000   13.91220000    7.32150000
 C                  8.70530000   15.14170000    5.66730000
 C                  9.40530000   16.15180000    5.01160000
 C                  7.38050000   14.60260000    5.31060000
 C                  7.14910000   13.28220000    5.75760000
 H                  7.84330000   12.83310000    6.22570000
 C                  5.96860000   12.62140000    5.54740000
 C                  4.93670000   13.28060000    4.88580000
 C                  5.13670000   14.54200000    4.40780000
 H                  4.43390000   14.96790000    3.93210000
 C                  6.35790000   15.24230000    4.59570000
 C                  7.53110000   17.29650000    3.59070000
 C                  6.38990000   16.57780000    3.97700000
 C                  5.19740000   17.24770000    3.55080000
 H                  4.32440000   16.91840000    3.73050000
 C                  5.42960000   18.38930000    2.87290000
 H                  4.74470000   18.94750000    2.52360000
 C                 10.02320000   18.17040000    3.33470000
 C                 10.19100000   19.45910000    3.87640000
 C                 10.97820000   20.38760000    3.20890000
 H                 11.07250000   21.25910000    3.57510000
 C                 11.62760000   20.08320000    2.02480000
 C                 11.47880000   18.80310000    1.51860000
 H                 11.91990000   18.57310000    0.70970000
 C                 10.70870000   17.85200000    2.15500000
 C                  9.50550000   19.85680000    5.14630000
 H                  8.61560000   20.21190000    4.93920000
 H                  9.41730000   19.07410000    5.72900000
 H                 10.03390000   20.54540000    5.60110000
 C                 12.45000000   21.11180000    1.30690000
 H                 12.41370000   20.94460000    0.34250000
 H                 12.09530000   22.00500000    1.49810000
 H                 13.37990000   21.05770000    1.61330000
 C                 10.55130000   16.47250000    1.55260000
 H                 11.13840000   16.38790000    0.77250000
 H                 10.79290000   15.79560000    2.21860000
 H                  9.62020000   16.34120000    1.27630000
 C                  6.75860000   10.58590000    6.54060000
 H                  7.54190000   10.52810000    5.93720000
 H                  7.04200000   11.02390000    7.38190000
 C                  6.22020000    9.21430000    6.82480000
 H                  5.42720000    9.29060000    7.41260000
 H                  5.93060000    8.79510000    5.97570000
 C                  7.24610000    8.33340000    7.48780000
 H                  7.97510000    8.14560000    6.84430000
 H                  7.63980000    8.81830000    8.25650000
 C                  6.66790000    7.01680000    7.97780000
 H                  6.23440000    6.55670000    7.21580000
 H                  5.96720000    7.20790000    8.65070000
 C                  7.68820000    6.08810000    8.58900000
 H                  8.33500000    5.81130000    7.89300000
 H                  8.18760000    6.57180000    9.29400000
 C                  7.04070000    4.84540000    9.19590000
 H                  6.54280000    4.36470000    8.50230000
 H                  7.73710000    4.26060000    9.56250000
 H                  6.42850000    5.11260000    9.91260000
 C                  2.72800000   13.17120000    3.95630000
 H                  2.48330000   14.05360000    4.33110000
 H                  3.02940000   13.29970000    3.02120000
 C                  1.54610000   12.23980000    3.99780000
 H                  0.78560000   12.66840000    3.53000000
 H                  1.27920000   12.10560000    4.94230000
 C                  1.80100000   10.92070000    3.38350000
 H                  2.05220000   11.05170000    2.43480000
 H                  2.56670000   10.49480000    3.84300000
 C                  0.57970000    9.96830000    3.45310000
 H                  0.32670000    9.83640000    4.40100000
 H                  0.83640000    9.08680000    3.08280000
 C                 -0.62640000   10.49600000    2.68640000
 H                 -0.34250000   10.75000000    1.77330000
 H                 -0.96380000   11.31000000    3.13700000
 C                 -1.73910000    9.49260000    2.59170000
 H                 -1.96960000    9.17330000    3.48910000
 H                 -2.52490000    9.91390000    2.18360000
 H                 -1.45140000    8.73590000    2.03960000
 O                  5.70640000   11.34000000    5.91730000
 O                  3.77030000   12.57590000    4.73250000
 S                 10.97690000   16.35450000    5.69620000
 S                  7.08710000   18.71240000    2.71300000
 B                  6.18640000    4.16620000    3.44420000
 C                  4.47650000    2.14600000    0.53880000
 H                  3.83970000    1.88680000   -0.11620000
 C                  5.69940000    1.59930000    0.65570000
 H                  6.01990000    0.91570000    0.07900000
 C                  6.47570000    2.14520000    1.73320000
 C                  5.77560000    3.15530000    2.38890000
 C                  7.80040000    1.60610000    2.08990000
 C                  8.03180000    0.28570000    1.64290000
 H                  7.33760000   -0.16340000    1.17480000
 C                  9.21240000   -0.37510000    1.85310000
 C                 10.24430000    0.28410000    2.51470000
 C                 10.04430000    1.54550000    2.99280000
 H                 10.74700000    1.97140000    3.46840000
 C                  8.82300000    2.24580000    2.80480000
 C                  7.64980000    4.30000000    3.80980000
 C                  8.79100000    3.58130000    3.42350000
 C                  9.98350000    4.25120000    3.84980000
 H                 10.85650000    3.92190000    3.67010000
 C                  9.75130000    5.39280000    4.52760000
 H                 10.43620000    5.95100000    4.87690000
 C                  5.15770000    5.17390000    4.06580000
 C                  4.99000000    6.46260000    3.52410000
 C                  4.20280000    7.39110000    4.19170000
 H                  4.10840000    8.26260000    3.82540000
 C                  3.55330000    7.08670000    5.37570000
 C                  3.70210000    5.80660000    5.88190000
 H                  3.26100000    5.57660000    6.69080000
 C                  4.47220000    4.85550000    5.24550000
 C                  5.67540000    6.86030000    2.25420000
 H                  6.56530000    7.21540000    2.46130000
 H                  5.76360000    6.07760000    1.67150000
 H                  5.14700000    7.54890000    1.79940000
 C                  2.73090000    8.11530000    6.09360000
 H                  2.76720000    7.94810000    7.05800000
 H                  3.08560000    9.00850000    5.90240000
 H                  1.80100000    8.06120000    5.78730000
 C                  4.62970000    3.47600000    5.84790000
 H                  4.04250000    3.39140000    6.62800000
 H                  4.38800000    2.79910000    5.18190000
 H                  5.56080000    3.34470000    6.12420000
 C                  8.42230000   -2.41060000    0.85990000
 H                  7.63900000   -2.46840000    1.46330000
 H                  8.13900000   -1.97260000    0.01870000
 C                  8.96070000   -3.78220000    0.57580000
 H                  9.75370000   -3.70590000   -0.01200000
 H                  9.25040000   -4.20140000    1.42480000
 C                  7.93480000   -4.66310000   -0.08730000
 H                  7.20580000   -4.85090000    0.55620000
 H                  7.54120000   -4.17820000   -0.85600000
 C                  8.51300000   -5.97970000   -0.57720000
 H                  8.94650000   -6.43980000    0.18480000
 H                  9.21380000   -5.78860000   -1.25020000
 C                  7.49270000   -6.90840000   -1.18850000
 H                  6.84590000   -7.18520000   -0.49250000
 H                  6.99330000   -6.42470000   -1.89340000
 C                  8.14020000   -8.15110000   -1.79540000
 H                  8.63810000   -8.63180000   -1.10180000
 H                  7.44380000   -8.73590000   -2.16200000
 H                  8.75250000   -7.88390000   -2.51210000
 C                 12.45290000    0.17470000    3.44420000
 H                 12.69760000    1.05710000    3.06940000
 H                 12.15150000    0.30320000    4.37930000
 C                 13.63480000   -0.75670000    3.40280000
 H                 14.39530000   -0.32810000    3.87060000
 H                 13.90170000   -0.89090000    2.45820000
 C                 13.37990000   -2.07580000    4.01700000
 H                 13.12880000   -1.94480000    4.96570000
 H                 12.61420000   -2.50170000    3.55750000
 C                 14.60120000   -3.02820000    3.94740000
 H                 14.85420000   -3.16010000    2.99950000
 H                 14.34450000   -3.90970000    4.31780000
 C                 15.80730000   -2.50050000    4.71410000
 H                 15.52340000   -2.24650000    5.62720000
 H                 16.14470000   -1.68650000    4.26350000
 C                 16.92000000   -3.50390000    4.80890000
 H                 17.15060000   -3.82320000    3.91140000
 H                 17.70580000   -3.08260000    5.21690000
 H                 16.63230000   -4.26060000    5.36100000
 O                  9.47460000   -1.65650000    1.48320000
 O                 11.41060000   -0.42060000    2.66800000
 S                  4.20400000    3.35800000    1.70430000
 S                  8.09380000    5.71590000    4.68750000
 B                  0.60630000    4.16620000   18.24520000
 C                 -1.10360000    2.14600000   15.33980000
 H                 -1.74040000    1.88680000   14.68480000
 C                  0.11920000    1.59930000   15.45670000
 H                  0.43980000    0.91570000   14.88010000
 C                  0.89550000    2.14520000   16.53420000
 C                  0.19540000    3.15530000   17.18990000
 C                  2.22030000    1.60610000   16.89100000
 C                  2.45170000    0.28570000   16.44400000
 H                  1.75750000   -0.16340000   15.97580000
 C                  3.63220000   -0.37510000   16.65410000
 C                  4.66410000    0.28410000   17.31570000
 C                  4.46410000    1.54550000   17.79380000
 H                  5.16680000    1.97140000   18.26940000
 C                  3.24290000    2.24580000   17.60580000
 C                  2.06960000    4.30000000   18.61080000
 C                  3.21090000    3.58130000   18.22450000
 C                  4.40340000    4.25120000   18.65080000
 H                  5.27630000    3.92190000   18.47110000
 C                  4.17120000    5.39280000   19.32870000
 H                  4.85600000    5.95100000   19.67790000
 C                 -0.42240000    5.17390000   18.86690000
 C                 -0.59020000    6.46260000   18.32520000
 C                 -1.37740000    7.39110000   18.99270000
 H                 -1.47180000    8.26260000   18.62650000
 C                 -2.02690000    7.08670000   20.17680000
 C                 -1.87810000    5.80660000   20.68300000
 H                 -2.31920000    5.57660000   21.49180000
 C                 -1.10800000    4.85550000   20.04650000
 C                  0.09530000    6.86030000   17.05520000
 H                  0.98520000    7.21540000   17.26240000
 H                  0.18340000    6.07760000   16.47250000
 H                 -0.43310000    7.54890000   16.60050000
 C                 -2.84920000    8.11530000   20.89460000
 H                 -2.81300000    7.94810000   21.85900000
 H                 -2.49450000    9.00850000   20.70350000
 H                 -3.77920000    8.06120000   20.58830000
 C                 -0.95050000    3.47600000   20.64890000
 H                 -1.53760000    3.39140000   21.42900000
 H                 -1.19220000    2.79910000   19.98300000
 H                 -0.01940000    3.34470000   20.92530000
 C                  2.84210000   -2.41060000   15.66100000
 H                  2.05890000   -2.46840000   16.26440000
 H                  2.55880000   -1.97260000   14.81970000
 C                  3.38060000   -3.78220000   15.37680000
 H                  4.17350000   -3.70590000   14.78900000
 H                  3.67020000   -4.20140000   16.22590000
 C                  2.35460000   -4.66310000   14.71370000
 H                  1.62570000   -4.85090000   15.35730000
 H                  1.96100000   -4.17820000   13.94510000
 C                  2.93290000   -5.97970000   14.22380000
 H                  3.36630000   -6.43980000   14.98580000
 H                  3.63360000   -5.78860000   13.55080000
 C                  1.91260000   -6.90840000   13.61250000
 H                  1.26570000   -7.18520000   14.30850000
 H                  1.41320000   -6.42470000   12.90760000
 C                  2.56010000   -8.15110000   13.00570000
 H                  3.05790000   -8.63180000   13.69920000
 H                  1.86370000   -8.73590000   12.63910000
 H                  3.17230000   -7.88390000   12.28900000
 C                  6.87270000    0.17470000   18.24520000
 H                  7.11740000    1.05710000   17.87040000
 H                  6.57140000    0.30320000   19.18030000
 C                  8.05470000   -0.75670000   18.20380000
 H                  8.81520000   -0.32810000   18.67160000
 H                  8.32150000   -0.89090000   17.25930000
 C                  7.79980000   -2.07580000   18.81800000
 H                  7.54860000   -1.94480000   19.76680000
 H                  7.03400000   -2.50170000   18.35860000
 C                  9.02100000   -3.02820000   18.74850000
 H                  9.27400000   -3.16010000   17.80060000
 H                  8.76440000   -3.90970000   19.11880000
 C                 10.22720000   -2.50050000   19.51520000
 H                  9.94320000   -2.24650000   20.42820000
 H                 10.56460000   -1.68650000   19.06450000
 C                 11.33980000   -3.50390000   19.60990000
 H                 11.57040000   -3.82320000   18.71240000
 H                 12.12570000   -3.08260000   20.01790000
 H                 11.05210000   -4.26060000   20.16200000
 O                  3.89440000   -1.65650000   16.28430000
 O                  5.83050000   -0.42060000   17.46910000
 S                 -1.37610000    3.35800000   16.50540000
 S                  2.51370000    5.71590000   19.48850000
 C                 13.69770000   11.86840000   13.49410000
 H                 13.43090000   11.24370000   14.19940000
 H                 13.61740000   11.43100000   12.62100000
 H                 13.11650000   12.65750000   13.51870000
 C                 15.08250000   12.27910000   13.70580000
 H                 15.49180000   11.55310000   14.24040000
 H                 15.50880000   12.23390000   12.81350000
 C                 15.53440000   13.42280000   14.25640000
 H                 15.10160000   13.45830000   15.14700000
 H                 15.10940000   14.14080000   13.72400000
 C                 16.85800000   13.87770000   14.48280000
 H                 17.25880000   13.18300000   15.06300000
 H                 17.30280000   13.77860000   13.60360000
 C                 17.34370000   15.05510000   14.97720000
 H                 16.92580000   15.13740000   15.87130000
 H                 16.91750000   15.75180000   14.41870000
 C                 18.68610000   15.52300000   15.16810000
 H                 19.29300000   15.01750000   14.58910000
 H                 18.94550000   15.39680000   16.10450000
 H                 18.73420000   16.47520000   14.94110000
 C                 11.08400000   14.12460000   16.10800000
 H                 11.35080000   14.74930000   15.40270000
 H                 11.16430000   14.56200000   16.98110000
 H                 11.66520000   13.33550000   16.08340000
 C                  9.69920000   13.71390000   15.89630000
 H                  9.28990000   14.43990000   15.36170000
 H                  9.27290000   13.75910000   16.78860000
 C                  9.24720000   12.57020000   15.34570000
 H                  9.68010000   12.53470000   14.45510000
 H                  9.67220000   11.85220000   15.87810000
 C                  7.92370000   12.11530000   15.11930000
 H                  7.52290000   12.81000000   14.53910000
 H                  7.47890000   12.21440000   15.99850000
 C                  7.43790000   10.93790000   14.62490000
 H                  7.85590000   10.85560000   13.73080000
 H                  7.86420000   10.24120000   15.18340000
 C                  6.09560000   10.47000000   14.43400000
 H                  5.48870000   10.97550000   15.01300000
 H                  5.83620000   10.59620000   13.49760000
 H                  6.04750000    9.51780000   14.66100000
 C                 -1.48330000   27.12110000    6.09360000
 H                 -1.75000000   27.74580000    6.79890000
 H                 -1.56350000   27.55850000    5.22050000
 H                 -2.06440000   26.33200000    6.11810000
 C                 -0.09840000   26.71040000    6.30520000
 H                  0.31080000   27.43640000    6.83990000
 H                  0.32790000   26.75560000    5.41300000
 C                  0.35350000   25.56670000    6.85580000
 H                 -0.07940000   25.53120000    7.74640000
 H                 -0.07150000   24.84870000    6.32340000
 C                  1.67710000   25.11180000    7.08230000
 H                  2.07790000   25.80650000    7.66250000
 H                  2.12190000   25.21090000    6.20310000
 C                  2.16280000   23.93440000    7.57670000
 H                  1.74480000   23.85210000    8.47070000
 H                  1.73660000   23.23770000    7.01820000
 C                  3.50520000   23.46650000    7.76760000
 H                  4.11210000   23.97200000    7.18860000
 H                  3.76450000   23.59270000    8.70400000
 H                  3.55330000   22.51430000    7.54060000
715
NEDA_F-H-FMes_CR
 B                 18.35860000   -4.75180000   17.91780000
 C                 21.34620000   -0.33940000   16.20380000
 C                 20.14840000    0.04310000   15.64960000
 C                 19.10500000   -0.83700000   15.59260000
 H                 18.28560000   -0.55830000   15.20220000
 C                 19.21530000   -2.15170000   16.10010000
 C                 20.45150000   -2.54190000   16.68170000
 C                 21.49740000   -1.59460000   16.71250000
 H                 22.33010000   -1.83900000   17.09880000
 C                 20.77380000   -3.85810000   17.28640000
 C                 22.12430000   -4.30310000   17.43750000
 H                 22.86870000   -3.83990000   17.07170000
 C                 22.24190000   -5.44850000   18.15280000
 H                 23.06830000   -5.87690000   18.34060000
 C                 19.87900000   -4.73250000   17.89620000
 C                 17.58490000   -3.96710000   16.86890000
 C                 17.99000000   -2.96210000   15.99180000
 C                 16.99380000   -2.68680000   15.00350000
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 S                 18.37380000   -2.94210000   10.71710000
 S                 20.88100000    1.88160000   10.79740000
 B                 25.01790000   11.83940000   10.52740000
 C                 28.29290000    9.27580000   14.19350000
 C                 28.96920000   10.47600000   14.15750000
 C                 28.40290000   11.56700000   13.57160000
 H                 28.88510000   12.38530000   13.55000000
 C                 27.11710000   11.50980000   12.99610000
 C                 26.42660000   10.27110000   13.02940000
 C                 27.05070000    9.16840000   13.64850000
 H                 26.59560000    8.33540000   13.68580000
 C                 25.11920000    9.98340000   12.41430000
 C                 24.62810000   10.56450000   11.23840000
 C                 23.22230000    8.69130000   12.06040000
 H                 22.56530000    8.02590000   12.22690000
 C                 24.29040000    8.92350000   12.87130000
 H                 24.46420000    8.42740000   13.66260000
 C                 26.63030000   12.76580000   12.39940000
 C                 25.82330000   12.89240000   11.27380000
 C                 26.67370000   15.07340000   12.09830000
 H                 26.88870000   15.98240000   12.27130000
 C                 27.09800000   14.03440000   12.85750000
 H                 27.65360000   14.13990000   13.62100000
 C                 24.48600000   12.12190000    9.04530000
 C                 23.30800000   12.81630000    8.74640000
 C                 22.88000000   13.01800000    7.43490000
 H                 22.07860000   13.49990000    7.26740000
 C                 23.61310000   12.52270000    6.38420000
 C                 24.79430000   11.83540000    6.63020000
 H                 25.30920000   11.49680000    5.90720000
 C                 25.21720000   11.64590000    7.93450000
 C                 26.46250000   10.82690000    8.12480000
 C                 22.39760000   13.35010000    9.80650000
 C                 23.12690000   12.65130000    4.96930000
 F                 28.89740000    8.19640000   14.74810000
 F                 30.22240000   10.53400000   14.66140000
 F                 27.09950000   11.08040000    9.26870000
 F                 27.35340000   11.02820000    7.15150000
 F                 26.20270000    9.50940000    8.13580000
 F                 22.77490000   13.01310000   11.05200000
 F                 22.30760000   14.68250000    9.77850000
 F                 21.14530000   12.88240000    9.65630000
 F                 22.77250000   11.46880000    4.48840000
 F                 24.04110000   13.12650000    4.15140000
 F                 22.07040000   13.43540000    4.86170000
 S                 23.20100000    9.72820000   10.71710000
 S                 25.70810000   14.55190000   10.79740000
 B                 10.59530000    1.66700000    3.96880000
 C                  7.32030000    4.23060000    0.30270000
 C                  6.64400000    3.03040000    0.33860000
 C                  7.21030000    1.93940000    0.92460000
 H                  6.72810000    1.12120000    0.94620000
 C                  8.49610000    1.99660000    1.50010000
 C                  9.18670000    3.23530000    1.46670000
 C                  8.56250000    4.33800000    0.84760000
 H                  9.01770000    5.17100000    0.81030000
 C                 10.49410000    3.52310000    2.08180000
 C                 10.98520000    2.94190000    3.25770000
 C                 12.39090000    4.81510000    2.43580000
 H                 13.04790000    5.48050000    2.26930000
 C                 11.32280000    4.58290000    1.62490000
 H                 11.14900000    5.07910000    0.83350000
 C                  8.98290000    0.74060000    2.09670000
 C                  9.78990000    0.61400000    3.22230000
 C                  8.93950000   -1.56700000    2.39780000
 H                  8.72450000   -2.47600000    2.22480000
 C                  8.51530000   -0.52800000    1.63860000
 H                  7.95960000   -0.63350000    0.87510000
 C                 11.12720000    1.38450000    5.45080000
 C                 12.30520000    0.69010000    5.74970000
 C                 12.73330000    0.48840000    7.06120000
 H                 13.53460000    0.00650000    7.22880000
 C                 12.00010000    0.98370000    8.11190000
 C                 10.81900000    1.67110000    7.86590000
 H                 10.30410000    2.00960000    8.58890000
 C                 10.39600000    1.86050000    6.56170000
 C                  9.15070000    2.67960000    6.37130000
 C                 13.21570000    0.15630000    4.68960000
 C                 12.48640000    0.85510000    9.52690000
 F                  6.71580000    5.31000000   -0.25190000
 F                  5.39080000    2.97240000   -0.16530000
 F                  8.51380000    2.42610000    5.22750000
 F                  8.25990000    2.47820000    7.34460000
 F                  9.41050000    3.99700000    6.36030000
 F                 12.83830000    0.49340000    3.44410000
 F                 13.30570000   -1.17610000    4.71760000
 F                 14.46800000    0.62400000    4.83980000
 F                 12.84070000    2.03760000   10.00770000
 F                 11.57220000    0.37990000   10.34470000
 F                 13.54290000    0.07110000    9.63440000
 S                 12.41230000    3.77820000    3.77900000
 S                  9.90510000   -1.04550000    3.69870000
 B                 16.09540000    2.50310000   18.46490000
 C                 12.82040000    5.06670000   14.79880000
 C                 12.14410000    3.86650000   14.83480000
 C                 12.71040000    2.77550000   15.42070000
 H                 12.22820000    1.95730000   15.44230000
 C                 13.99620000    2.83270000   15.99620000
 C                 14.68670000    4.07140000   15.96290000
 C                 14.06260000    5.17410000   15.34370000
 H                 14.51770000    6.00710000   15.30650000
 C                 15.99410000    4.35920000   16.57790000
 C                 16.48520000    3.77800000   17.75390000
 C                 17.89100000    5.65120000   16.93190000
 H                 18.54800000    6.31660000   16.76540000
 C                 16.82290000    5.41900000   16.12100000
 H                 16.64910000    5.91520000   15.32970000
 C                 14.48300000    1.57670000   16.59290000
 C                 15.29000000    1.45010000   17.71850000
 C                 14.43960000   -0.73090000   16.89390000
 H                 14.22460000   -1.63990000   16.72100000
 C                 14.01530000    0.30810000   16.13480000
 H                 13.45970000    0.20260000   15.37130000
 C                 16.62730000    2.22060000   19.94700000
 C                 17.80530000    1.52620000   20.24590000
 C                 18.23330000    1.32450000   21.55730000
 H                 19.03470000    0.84260000   21.72490000
 C                 17.50020000    1.81980000   22.60800000
 C                 16.31900000    2.50720000   22.36200000
 H                 15.80410000    2.84570000   23.08510000
 C                 15.89610000    2.69660000   21.05780000
 C                 14.65080000    3.51570000   20.86750000
 C                 18.71570000    0.99240000   19.18580000
 C                 17.98640000    1.69120000   24.02300000
 F                 12.21590000    6.14610000   14.24420000
 F                 10.89090000    3.80850000   14.33090000
 F                 14.01380000    3.26220000   19.72360000
 F                 13.75990000    3.31430000   21.84070000
 F                 14.91060000    4.83310000   20.85650000
 F                 18.33840000    1.32950000   17.94030000
 F                 18.80570000   -0.34000000   19.21380000
 F                 19.96800000    1.46010000   19.33600000
 F                 18.34080000    2.87370000   24.50380000
 F                 17.07220000    1.21600000   24.84090000
 F                 19.04290000    0.90720000   24.13060000
 S                 17.91230000    4.61430000   18.27510000
 S                 15.40520000   -0.20940000   18.19480000
 B                 15.42250000   14.33730000    3.96880000
 C                 12.14750000   16.90090000    0.30270000
 C                 11.47120000   15.70070000    0.33860000
 C                 12.03750000   14.60970000    0.92460000
 H                 11.55530000   13.79150000    0.94620000
 C                 13.32330000   14.66690000    1.50010000
 C                 14.01380000   15.90560000    1.46670000
 C                 13.38970000   17.00830000    0.84760000
 H                 13.84480000   17.84140000    0.81030000
 C                 15.32120000   16.19340000    2.08180000
 C                 15.81230000   15.61220000    3.25770000
 C                 17.21810000   17.48540000    2.43580000
 H                 17.87510000   18.15080000    2.26930000
 C                 16.15000000   17.25320000    1.62490000
 H                 15.97620000   17.74940000    0.83350000
 C                 13.81010000   13.41090000    2.09670000
 C                 14.61710000   13.28430000    3.22230000
 C                 13.76670000   11.10330000    2.39780000
 H                 13.55170000   10.19430000    2.22480000
 C                 13.34250000   12.14230000    1.63860000
 H                 12.78680000   12.03680000    0.87510000
 C                 15.95440000   14.05480000    5.45080000
 C                 17.13240000   13.36040000    5.74970000
 C                 17.56040000   13.15870000    7.06120000
 H                 18.36180000   12.67680000    7.22880000
 C                 16.82730000   13.65400000    8.11190000
 C                 15.64620000   14.34140000    7.86590000
 H                 15.13130000   14.67990000    8.58890000
 C                 15.22320000   14.53080000    6.56170000
 C                 13.97790000   15.34990000    6.37130000
 C                 18.04290000   12.82660000    4.68960000
 C                 17.31350000   13.52540000    9.52690000
 F                 11.54300000   17.98030000   -0.25190000
 F                 10.21800000   15.64270000   -0.16530000
 F                 13.34090000   15.09640000    5.22750000
 F                 13.08700000   15.14850000    7.34460000
 F                 14.23770000   16.66730000    6.36030000
 F                 17.66550000   13.16370000    3.44410000
 F                 18.13290000   11.49420000    4.71760000
 F                 19.29510000   13.29430000    4.83980000
 F                 17.66790000   14.70790000   10.00770000
 F                 16.39930000   13.05020000   10.34470000
 F                 18.37000000   12.74140000    9.63440000
 S                 17.23950000   16.44850000    3.77900000
 S                 14.73230000   11.62480000    3.69870000
 B                 23.23830000    1.66700000    3.96880000
 C                 19.96330000    4.23060000    0.30270000
 C                 19.28700000    3.03040000    0.33860000
 C                 19.85330000    1.93940000    0.92460000
 H                 19.37110000    1.12120000    0.94620000
 C                 21.13910000    1.99660000    1.50010000
 C                 21.82970000    3.23530000    1.46670000
 C                 21.20550000    4.33800000    0.84760000
 H                 21.66070000    5.17100000    0.81030000
 C                 23.13710000    3.52310000    2.08180000
 C                 23.62820000    2.94190000    3.25770000
 C                 25.03390000    4.81510000    2.43580000
 H                 25.69090000    5.48050000    2.26930000
 C                 23.96580000    4.58290000    1.62490000
 H                 23.79200000    5.07910000    0.83350000
 C                 21.62590000    0.74060000    2.09670000
 C                 22.43290000    0.61400000    3.22230000
 C                 21.58250000   -1.56700000    2.39780000
 H                 21.36750000   -2.47600000    2.22480000
 C                 21.15830000   -0.52800000    1.63860000
 H                 20.60260000   -0.63350000    0.87510000
 C                 23.77020000    1.38450000    5.45080000
 C                 24.94820000    0.69010000    5.74970000
 C                 25.37630000    0.48840000    7.06120000
 H                 26.17760000    0.00650000    7.22880000
 C                 24.64310000    0.98370000    8.11190000
 C                 23.46200000    1.67110000    7.86590000
 H                 22.94710000    2.00960000    8.58890000
 C                 23.03900000    1.86050000    6.56170000
 C                 21.79370000    2.67960000    6.37130000
 C                 25.85870000    0.15630000    4.68960000
 C                 25.12940000    0.85510000    9.52690000
 F                 19.35880000    5.31000000   -0.25190000
 F                 18.03380000    2.97240000   -0.16530000
 F                 21.15680000    2.42610000    5.22750000
 F                 20.90290000    2.47820000    7.34460000
 F                 22.05350000    3.99700000    6.36030000
 F                 25.48130000    0.49340000    3.44410000
 F                 25.94870000   -1.17610000    4.71760000
 F                 27.11100000    0.62400000    4.83980000
 F                 25.48370000    2.03760000   10.00770000
 F                 24.21520000    0.37990000   10.34470000
 F                 26.18590000    0.07110000    9.63440000
 S                 25.05530000    3.77820000    3.77900000
 S                 22.54810000   -1.04550000    3.69870000
 B                 28.73840000    2.50310000   18.46490000
 C                 25.46340000    5.06670000   14.79880000
 C                 24.78710000    3.86650000   14.83480000
 C                 25.35340000    2.77550000   15.42070000
 H                 24.87120000    1.95730000   15.44230000
 C                 26.63920000    2.83270000   15.99620000
 C                 27.32970000    4.07140000   15.96290000
 C                 26.70560000    5.17410000   15.34370000
 H                 27.16070000    6.00710000   15.30650000
 C                 28.63710000    4.35920000   16.57790000
 C                 29.12820000    3.77800000   17.75390000
 C                 30.53400000    5.65120000   16.93190000
 H                 31.19100000    6.31660000   16.76540000
 C                 29.46590000    5.41900000   16.12100000
 H                 29.29210000    5.91520000   15.32970000
 C                 27.12600000    1.57670000   16.59290000
 C                 27.93300000    1.45010000   17.71850000
 C                 27.08260000   -0.73090000   16.89390000
 H                 26.86760000   -1.63990000   16.72100000
 C                 26.65830000    0.30810000   16.13480000
 H                 26.10270000    0.20260000   15.37130000
 C                 29.27030000    2.22060000   19.94700000
 C                 30.44830000    1.52620000   20.24590000
 C                 30.87630000    1.32450000   21.55730000
 H                 31.67770000    0.84260000   21.72490000
 C                 30.14320000    1.81980000   22.60800000
 C                 28.96200000    2.50720000   22.36200000
 H                 28.44710000    2.84570000   23.08510000
 C                 28.53910000    2.69660000   21.05780000
 C                 27.29380000    3.51570000   20.86750000
 C                 31.35870000    0.99240000   19.18580000
 C                 30.62940000    1.69120000   24.02300000
 F                 24.85890000    6.14610000   14.24420000
 F                 23.53390000    3.80850000   14.33090000
 F                 26.65680000    3.26220000   19.72360000
 F                 26.40290000    3.31430000   21.84070000
 F                 27.55360000    4.83310000   20.85650000
 F                 30.98140000    1.32950000   17.94030000
 F                 31.44870000   -0.34000000   19.21380000
 F                 32.61100000    1.46010000   19.33600000
 F                 30.98380000    2.87370000   24.50380000
 F                 29.71520000    1.21600000   24.84090000
 F                 31.68590000    0.90720000   24.13060000
 S                 30.55530000    4.61430000   18.27510000
 S                 28.04820000   -0.20940000   18.19480000
 C                 10.73130000    5.31030000   10.01970000
 H                 10.90400000    6.07340000   10.60980000
 H                 11.01940000    4.48410000   10.46140000
 H                  9.77210000    5.25870000    9.82480000
 C                 11.50670000    5.48850000    8.71650000
 H                 12.46850000    5.57070000    8.93560000
 H                 11.39490000    4.66840000    8.17340000
 C                 11.11730000    6.64380000    7.89890000
 H                 11.22560000    7.45800000    8.45040000
 H                 10.15250000    6.55770000    7.69060000
 C                 12.23890000    8.19610000    4.47640000
 H                 12.06620000    7.43300000    3.88640000
 H                 11.95080000    9.02230000    4.03480000
 H                 13.19820000    8.24770000    4.67140000
 C                 11.46350000    8.01790000    5.77960000
 H                 10.50180000    7.93570000    5.56050000
 H                 11.57540000    8.83800000    6.32280000
 C                 11.85300000    6.86260000    6.59720000
 H                 11.74470000    6.04840000    6.04570000
 H                 12.81770000    6.94880000    6.80550000
 C                 23.37430000    5.31030000   10.01970000
 H                 23.54700000    6.07340000   10.60980000
 H                 23.66240000    4.48410000   10.46140000
 H                 22.41510000    5.25870000    9.82480000
 C                 24.14970000    5.48850000    8.71650000
 H                 25.11150000    5.57070000    8.93560000
 H                 24.03790000    4.66840000    8.17340000
 C                 23.76030000    6.64380000    7.89890000
 H                 23.86860000    7.45800000    8.45040000
 H                 22.79550000    6.55770000    7.69060000
 C                 24.88190000    8.19610000    4.47640000
 H                 24.70920000    7.43300000    3.88640000
 H                 24.59380000    9.02230000    4.03480000
 H                 25.84120000    8.24770000    4.67140000
 C                 24.10650000    8.01790000    5.77960000
 H                 23.14480000    7.93570000    5.56050000
 H                 24.21840000    8.83800000    6.32280000
 C                 24.49600000    6.86260000    6.59720000
 H                 24.38770000    6.04840000    6.04570000
 H                 25.46070000    6.94880000    6.80550000
675
NEDA_F-H-FMes_CP
0 1
 S                 12.40650000    9.65400000   -3.02810000
 S                 13.83510000    4.33970000   -3.12250000
 F                 12.56570000    6.39360000    0.79820000
 F                  9.69440000    6.15220000   -5.64490000
 F                 13.86660000    6.95300000   -0.81560000
 F                 12.44640000    8.36180000   -0.03460000
 F                 11.66720000    6.99140000   -5.53630000
 F                 19.18970000    7.29000000   -6.97610000
 F                 11.39070000    4.86770000   -5.38300000
 F                 18.25900000    9.84310000   -7.25510000
 F                  7.42030000    6.35250000   -0.38850000
 F                  8.21750000    4.43250000   -0.04370000
 F                  7.19260000    4.84890000   -1.87950000
 C                 10.72680000    6.16840000   -3.52050000
 C                 11.57870000    6.59280000   -1.33740000
 C                 10.37390000    6.17110000   -0.78490000
 H                 10.26170000    6.15730000    0.15830000
 C                  9.50700000    5.77970000   -2.98190000
 H                  8.79260000    5.52090000   -3.55220000
 C                 11.80660000    6.59770000   -2.73010000
 C                  9.34050000    5.77240000   -1.61110000
 C                 15.72920000    8.46050000   -4.98550000
 C                 16.15550000    7.09940000   -4.93180000
 C                 12.61980000    7.07210000   -0.35790000
 C                 16.13340000    4.68220000   -4.13300000
 H                 17.01810000    4.51180000   -4.43450000
 C                 13.52070000    8.48100000   -3.64130000
 C                 10.86860000    6.04840000   -5.01580000
 C                 15.50500000    5.96830000   -4.23870000
 C                 14.21540000    5.92950000   -3.68920000
 C                  8.03880000    5.34590000   -0.99710000
 C                 18.04640000    7.66740000   -6.37130000
 C                 17.59250000    8.95520000   -6.48720000
 C                 14.60920000    9.09980000   -4.26020000
 C                 15.35370000    3.73620000   -3.56660000
 H                 15.62590000    2.83600000   -3.43210000
 C                 14.49810000   10.53190000   -4.16010000
 H                 15.15570000   11.12680000   -4.50130000
 C                 17.33730000    6.76810000   -5.64000000
 H                 17.64960000    5.87190000   -5.60140000
 C                 16.47020000    9.33800000   -5.81720000
 H                 16.17010000   10.23430000   -5.91120000
 C                 13.37330000   10.95450000   -3.53700000
 H                 13.15150000   11.86810000   -3.40130000
 B                 13.20420000    7.01840000   -3.39400000
 S                 10.79750000    9.65400000    5.19180000
 S                 12.22610000    4.33970000    5.09740000
 F                 10.95670000    6.39360000    9.01810000
 F                  8.08550000    6.15220000    2.57510000
 F                 12.25760000    6.95300000    7.40430000
 F                 10.83740000    8.36180000    8.18530000
 F                 10.05820000    6.99140000    2.68360000
 F                 17.58080000    7.29000000    1.24380000
 F                  9.78170000    4.86770000    2.83690000
 F                 16.65010000    9.84310000    0.96490000
 F                  5.81140000    6.35250000    7.83140000
 F                  6.60850000    4.43250000    8.17620000
 F                  5.58360000    4.84890000    6.34040000
 C                  9.11780000    6.16840000    4.69940000
 C                  9.96980000    6.59280000    6.88250000
 C                  8.76490000    6.17110000    7.43500000
 H                  8.65280000    6.15730000    8.37830000
 C                  7.89810000    5.77970000    5.23810000
 H                  7.18360000    5.52090000    4.66780000
 C                 10.19770000    6.59770000    5.48980000
 C                  7.73160000    5.77240000    6.60880000
 C                 14.12020000    8.46050000    3.23440000
 C                 14.54650000    7.09940000    3.28810000
 C                 11.01090000    7.07210000    7.86200000
 C                 14.52450000    4.68220000    4.08690000
 H                 15.40920000    4.51180000    3.78550000
 C                 11.91170000    8.48100000    4.57870000
 C                  9.25960000    6.04840000    3.20410000
 C                 13.89600000    5.96830000    3.98120000
 C                 12.60650000    5.92950000    4.53070000
 C                  6.42990000    5.34590000    7.22280000
 C                 16.43750000    7.66740000    1.84870000
 C                 15.98350000    8.95520000    1.73280000
 C                 13.00020000    9.09980000    3.95970000
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 C                 19.77960000    9.18470000    3.68920000
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 C                 16.40250000    6.15900000    6.48720000
 C                 19.38580000    6.01440000    4.26020000
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 F                  6.38810000    2.70820000    2.23050000
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 C                 14.92470000   -0.90340000   -0.87560000
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 C                 11.81530000    0.48500000    3.75210000
 C                 15.32890000    2.87490000   -0.02300000
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 C                 12.71620000   -0.92390000    0.46870000
 C                 10.06410000    1.50870000   -0.90580000
 C                 14.70050000    1.58880000   -0.12870000
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 C                  7.23440000    2.21120000    3.11290000
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 C                 13.80470000   -1.54270000   -0.15030000
 C                 14.54920000    3.82090000    0.54330000
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 C                 13.69370000   -2.97480000   -0.05010000
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 C                 16.53280000    0.78900000   -1.53010000
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 C                 12.56880000   -3.39740000    0.57290000
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 S                  9.99310000   -2.09690000    9.30170000
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 F                  7.28100000    1.40490000    6.68500000
 F                 11.45320000    0.60410000   11.51430000
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 F                  5.00690000    1.20460000   11.94140000
 F                  5.80410000    3.12460000   12.28610000
 F                  4.77910000    2.70820000   10.45040000
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 C                  9.16530000    0.96430000   10.99250000
 C                  7.96050000    1.38600000   11.54490000
 H                  7.84830000    1.39980000   12.48820000
 C                  7.09360000    1.77740000    9.34800000
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 C                  6.92710000    1.78470000   10.71880000
 C                 13.31570000   -0.90340000    7.34430000
 C                 13.74210000    0.45770000    7.39810000
 C                 10.20640000    0.48500000   11.97200000
 C                 13.72000000    2.87490000    8.19690000
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 C                 11.10730000   -0.92390000    8.68860000
 C                  8.45510000    1.50870000    7.31410000
 C                 13.09150000    1.58880000    8.09120000
 C                 11.80200000    1.62760000    8.64070000
 C                  5.62540000    2.21120000   11.33280000
 C                 15.63300000   -0.11030000    5.95860000
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 C                 12.94030000    3.82090000    8.76320000
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 C                 12.08470000   -2.97480000    8.16980000
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 C                 14.92380000    0.78900000    6.68990000
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 C                 10.95990000   -3.39740000    8.79280000
 H                 10.73810000   -4.31100000    8.92860000
 B                 10.79080000    0.53870000    8.93590000
 S                 11.60200000   13.01730000    1.08180000
 S                 13.03060000   18.33160000    0.98750000
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 F                  8.89000000   16.51910000   -1.53490000
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 F                 11.64190000   14.30950000    4.07540000
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 F                 18.38530000   15.38130000   -2.86610000
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 F                 17.45450000   12.82820000   -3.14510000
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 F                  7.41300000   18.23880000    4.06620000
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 C                  9.56940000   16.50020000    3.32500000
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 C                 14.92470000   14.21080000   -0.87560000
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 C                 15.32890000   17.98910000   -0.02300000
 H                 16.21360000   18.15950000   -0.32450000
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 C                 10.06410000   16.62290000   -0.90580000
 C                 14.70050000   16.70300000   -0.12870000
 C                 13.41090000   16.74180000    0.42080000
 C                  7.23440000   17.32540000    3.11290000
 C                 17.24190000   15.00390000   -2.26130000
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 C                 13.80470000   13.57150000   -0.15030000
 C                 14.54920000   18.93510000    0.54330000
 H                 14.82140000   19.83530000    0.67790000
 C                 13.69370000   12.13940000   -0.05010000
 H                 14.35120000   11.54450000   -0.39140000
 C                 16.53280000   15.90320000   -1.53010000
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 C                 15.66580000   13.33330000   -1.70730000
 H                 15.36560000   12.43700000   -1.80120000
 C                 12.56880000   11.71680000    0.57290000
 H                 12.34700000   10.80320000    0.70870000
 B                 12.39980000   15.65290000    0.71600000
 S                  9.99310000   13.01730000    9.30170000
 S                 11.42160000   18.33160000    9.20740000
 F                 10.15230000   16.27770000   13.12810000
 F                  7.28100000   16.51910000    6.68500000
 F                 11.45320000   15.71830000   11.51430000
 F                 10.03300000   14.30950000   12.29530000
 F                  9.25370000   15.67990000    6.79360000
 F                 16.77630000   15.38130000    5.35380000
 F                  8.97730000   17.80360000    6.94690000
 F                 15.84560000   12.82820000    5.07480000
 F                  5.00690000   16.31880000   11.94140000
 F                  5.80410000   18.23880000   12.28610000
 F                  4.77910000   17.82240000   10.45040000
 C                  8.31340000   16.50290000    8.80940000
 C                  9.16530000   16.07850000   10.99250000
 C                  7.96050000   16.50020000   11.54490000
 H                  7.84830000   16.51400000   12.48820000
 C                  7.09360000   16.89160000    9.34800000
 H                  6.37920000   17.15040000    8.77770000
 C                  9.39320000   16.07360000    9.59980000
 C                  6.92710000   16.89890000   10.71880000
 C                 13.31570000   14.21080000    7.34430000
 C                 13.74210000   15.57190000    7.39810000
 C                 10.20640000   15.59920000   11.97200000
 C                 13.72000000   17.98910000    8.19690000
 H                 14.60470000   18.15950000    7.89540000
 C                 11.10730000   14.19030000    8.68860000
 C                  8.45510000   16.62290000    7.31410000
 C                 13.09150000   16.70300000    8.09120000
 C                 11.80200000   16.74180000    8.64070000
 C                  5.62540000   17.32540000   11.33280000
 C                 15.63300000   15.00390000    5.95860000
 C                 15.17910000   13.71610000    5.84270000
 C                 12.19570000   13.57150000    8.06970000
 C                 12.94030000   18.93510000    8.76320000
 H                 13.21240000   19.83530000    8.89780000
 C                 12.08470000   12.13940000    8.16980000
 H                 12.74220000   11.54450000    7.82850000
 C                 14.92380000   15.90320000    6.68990000
 H                 15.23610000   16.79940000    6.72840000
 C                 14.05680000   13.33330000    6.51260000
 H                 13.75660000   12.43700000    6.41870000
 C                 10.95990000   11.71680000    8.79280000
 H                 10.73810000   10.80320000    8.92860000
 B                 10.79080000   15.65290000    8.93590000
