169
S11
 C                  1.34735200    1.23685600    3.32590500
 C                  0.53919900    0.80446700    2.26384500
 C                 -0.85202600    0.50607700    2.44700700
 C                 -1.43707400    0.67313000    3.76300600
 C                 -0.60633000    1.15169800    4.82809700
 C                  0.74174000    1.42094600    4.62159800
 H                 -1.22487400   -0.07185700    0.37642200
 H                  0.98099700    0.64932100    1.26472100
 C                 -1.67522600    0.02138800    1.37939400
 C                 -2.81373200    0.32312900    3.94860600
 H                 -1.05403100    1.29829900    5.82710500
 H                  1.36513000    1.78202000    5.45445000
 C                 -3.57883200   -0.17598600    2.90018700
 C                 -3.01982300   -0.33434500    1.58012200
 H                 -3.25780200    0.42929900    4.95430400
 H                 -4.61751200   -0.48756900    3.08201900
 C                  5.51792100    0.74761300   -1.97879700
 C                  5.21527300    1.43850600   -0.78013900
 C                  6.09520800    1.49254500   -3.04921300
 C                  5.45144900    2.81512000   -0.59797600
 H                  4.76049600    0.86430600    0.04278700
 C                  6.36370800    2.87291800   -2.89274400
 C                  6.03612800    3.52664100   -1.68253900
 H                  6.81546900    3.44683200   -3.71362700
 C                 -3.81721200   -0.93215800    0.46505000
 C                 -5.18696700   -0.60763800    0.21747600
 C                 -3.20970700   -1.87833000   -0.40328000
 C                 -5.87487800   -1.19257200   -0.87132300
 C                 -3.86939700   -2.48697700   -1.48741000
 H                 -2.16761700   -2.17178100   -0.19803700
 C                 -5.21691100   -2.09914200   -1.73379400
 H                 -6.92342700   -0.92599300   -1.05635200
 O                  6.30064000    0.81237300   -4.23900500
 O                  6.29768200    4.87742800   -1.47391500
 O                 -5.77877600    0.33606700    1.03803600
 O                 -5.83488800   -2.67532900   -2.83228900
 C                  4.99977000    3.57048300    0.66087800
 H                  5.80875500    4.26069800    0.98603100
 H                  4.14613200    4.22432300    0.36523500
 C                  5.16221700   -0.69895000   -2.11900200
 C                  3.87163100   -1.13858400   -1.79256600
 C                  3.49704700   -2.51692300   -1.89126600
 C                  4.48961900   -3.48591600   -2.31155500
 C                  5.80591900   -3.02013500   -2.63845600
 C                  6.13302400   -1.66997100   -2.55534900
 H                  1.42777400   -2.21111800   -1.27090100
 H                  3.10724300   -0.41256100   -1.46965900
 C                  2.16992000   -2.96281800   -1.59172800
 C                  4.10472500   -4.86458600   -2.37914600
 H                  6.56564200   -3.75538700   -2.95794900
 H                  7.14851100   -1.32809700   -2.81286400
 C                  2.81051200   -5.27039900   -2.06768600
 C                  1.80261700   -4.31479800   -1.67712500
 H                  4.85633800   -5.61154400   -2.69068200
 H                  2.55459700   -6.33914800   -2.11913900
 C                  2.80084600    1.52867900    3.12078500
 C                  3.23293600    2.35904400    2.05600500
 C                  3.80646600    0.98830700    3.97928100
 C                  4.58403500    2.68230900    1.82171500
 H                  2.46983300    2.80214100    1.39541700
 C                  5.17290100    1.28836500    3.77020800
 C                  5.56128100    2.12102100    2.69435000
 H                  5.93017600    0.85517800    4.43610600
 C                  0.38620100   -4.71948900   -1.41523300
 C                  0.04226700   -5.83385600   -0.58697400
 C                 -0.68299900   -3.97307300   -1.97569300
 C                 -1.31263800   -6.15099000   -0.32795200
 C                 -2.04121000   -4.27929500   -1.76285800
 H                 -0.43822300   -3.12635800   -2.63988300
 C                 -2.34665400   -5.37792200   -0.90769400
 H                 -1.55647500   -6.98888500    0.33774500
 O                  3.38030300    0.11745600    4.96923900
 O                  6.87705400    2.42260600    2.39963800
 O                  1.09165500   -6.53819500   -0.03770600
 O                 -3.68928500   -5.60340900   -0.67541600
 C                 -3.15958600   -3.48158800   -2.41750100
 H                 -2.74576200   -2.92284500   -3.28925700
 H                 -3.91351100   -4.18118400   -2.83683900
 C                  7.25014500    1.34012900   -5.19629500
 H                  7.16167000    0.67062000   -6.08196300
 H                  6.96866500    2.36421100   -5.53635500
 C                  8.74757600    1.32497200   -4.71788600
 O                  9.54345000    1.98515200   -5.45778000
 O                  9.04381500    0.64300100   -3.68330800
 C                  6.06801800    5.80146300   -2.56871000
 H                  6.44221800    6.78414900   -2.20125400
 H                  6.67079300    5.54277700   -3.46984700
 C                  4.55860900    5.96528100   -2.97386100
 O                  4.36827400    6.58698800   -4.06537200
 O                  3.66898600    5.51062200   -2.18070200
 C                  7.92551500    2.02533700    3.31852700
 H                  7.90284200    0.92511700    3.50194400
 H                  8.87338500    2.24537400    2.77773500
 C                  7.94568600    2.80038800    4.68782600
 O                  7.15795300    3.78668100    4.82998400
 O                  8.79957800    2.35757100    5.52180800
 C                  4.23442900   -0.10966600    6.11760600
 H                  3.69978000   -0.87947200    6.71928900
 H                  5.21353000   -0.55338600    5.82124200
 C                  4.46595000    1.15155900    7.02792700
 O                  5.39940000    1.02321400    7.88188500
 O                  3.69558300    2.15437400    6.87446300
 C                  0.85970500   -7.79809500    0.63720400
 H                  0.40346400   -7.62753700    1.64133700
 H                  0.14962500   -8.43166400    0.05061300
 C                  2.20381300   -8.59096900    0.78804900
 O                  2.15506800   -9.54414300    1.63084200
 O                  3.18643500   -8.25892800    0.05193100
 C                 -4.10680200   -6.81912800   -0.00622300
 H                 -3.62123500   -6.91794900    0.99331500
 H                 -5.19663900   -6.68228100    0.17482000
 C                 -3.90329200   -8.13762200   -0.83959700
 O                 -4.18333300   -9.20397800   -0.20276100
 O                 -3.51738400   -8.02966900   -2.04502100
 C                 -6.98000300   -2.00495000   -3.41360600
 H                 -7.30980300   -2.66877800   -4.24450800
 H                 -7.82879500   -1.93943800   -2.69366400
 C                 -6.66560200   -0.58149000   -4.00378800
 O                 -5.44409000   -0.26344800   -4.17289600
 O                 -7.69319100    0.11424400   -4.28592200
 C                 -7.22296200    0.34504700    1.17951900
 H                 -7.43602700    1.22175600    1.83023900
 H                 -7.73269400    0.53568100    0.20869700
 C                 -7.82841200   -0.93319100    1.85810100
 O                 -9.08547000   -1.06292500    1.70741300
 O                 -7.05099100   -1.69079300    2.52423900
 C                 -0.19186200    2.20855500   -1.70260200
 C                 -0.08132000    2.96894300   -0.49113100
 C                 -1.20823600    3.36346300    0.22422400
 C                 -2.51385300    3.05344300   -0.25708600
 C                 -2.64077900    2.29065500   -1.48542800
 C                 -1.47176800    1.84859500   -2.18824300
 C                 -3.70335300    3.47694000    0.39352900
 C                 -4.97026900    3.23186300   -0.14129400
 N                 -5.03846200    2.56411500   -1.37933800
 C                 -3.94250900    2.07126100   -1.99569300
 C                 -6.23188800    3.64098700    0.51246100
 C                 -7.41157500    3.80221900   -0.26951800
 C                 -7.31312400    3.52690100   -1.76010600
 C                 -6.38238100    2.33718700   -2.01571000
 C                 -6.25598500    3.87560100    1.92701900
 C                 -7.46430000    4.27514600    2.48627300
 C                 -8.63076000    4.44298100    1.70610000
 C                 -8.63305800    4.20929500    0.32941400
 O                  0.88124300    1.81456200   -2.45391000
 C                  2.20430800    2.30286300   -2.09739900
 O                 -1.62131900    1.14961400   -3.37285600
 C                 -1.29061100   -0.27462600   -3.30209500
 O                 -7.74496500    4.56210300    3.81765300
 C                 -9.16803700    4.87056300    3.87926600
 O                 -9.68436600    4.84018200    2.51176600
 H                  0.91296200    3.24623800   -0.11359400
 H                 -1.09735000    3.93301600    1.16086100
 H                 -3.61640000    4.04662400    1.33048700
 H                 -4.11463700    1.51378100   -2.92926700
 H                 -8.30915700    3.28542300   -2.18745600
 H                 -6.93790300    4.42761900   -2.30240600
 H                 -6.80621100    1.40868900   -1.58196500
 H                 -6.21543300    2.17245900   -3.09509900
 H                 -5.37095500    3.71594600    2.56025900
 H                 -9.54704300    4.33146100   -0.27346200
 H                  2.89664400    1.86280700   -2.84089400
 H                  2.25262000    3.41196700   -2.16200800
 H                  2.49782600    1.97042600   -1.07988700
 H                 -1.54605300   -0.70170700   -4.29326700
 H                 -0.20838800   -0.43253300   -3.09772700
 H                 -1.89603800   -0.76942200   -2.51344100
 H                 -9.69435000    4.09895900    4.49026800
 H                 -9.31363900    5.88892100    4.30787700


