81

 C                  1.49623500    1.16647100   -1.53281600
 C                  2.56648000    2.02481800   -1.34514600
 C                  3.90439900    1.60829400   -1.55576000
 C                  4.16956200    0.32250900   -1.96535200
 C                  3.10896600   -0.60248100   -2.17799300
 C                  1.74945200   -0.18718200   -1.95554800
 C                  3.37154700   -1.93250400   -2.61169300
 C                  2.34407600   -2.82799600   -2.81934700
 C                  1.00464400   -2.42646300   -2.59549400
 C                  0.71553700   -1.14440600   -2.17259700
 C                  0.06333200    1.63802300   -1.29335900
 N                 -0.43090100    1.13599000    0.00036900
 C                 -1.62171200    0.52142800    0.15847000
 C                 -2.01702900    0.19720600    1.57536400
 O                 -2.37388700    0.27628300   -0.78858400
 C                 -2.67253500   -1.01545800    1.83442100
 C                 -3.08302600   -1.29206600    3.13528300
 C                 -2.88143100   -0.40827000    4.19547900
 C                 -2.22594200    0.78217900    3.90629200
 C                 -1.78833000    1.09963500    2.61785600
 N                 -3.76333700   -2.57763600    3.41398500
 O                 -4.24899000   -2.72978800    4.52030000
 O                 -3.79167300   -3.40143800    2.51378500
 N                 -1.98459500    1.75028100    5.00123400
 O                 -2.37410600    1.44606700    6.11438200
 O                 -1.40821200    2.78621700    4.71237700
 H                  4.71931800    2.31872100   -1.39574700
 H                  5.19834600   -0.00697100   -2.13687500
 H                  4.41005500   -2.23142200   -2.77975700
 H                  2.55821000   -3.84618900   -3.15522900
 H                  0.19270600   -3.14223600   -2.74197000
 H                 -0.32641100   -0.87700200   -1.99457700
 H                 -0.59052000    1.17533500   -2.04440000
 H                  0.20658100    1.16191800    0.78950800
 H                 -2.83365300   -1.73845700    1.03520400
 H                 -3.22164000   -0.63826100    5.20352400
 H                 -1.29452100    2.05822900    2.45764700
 H                  2.39094300    3.05633000   -1.03425300
 C                 -6.81441900   -4.98048500    1.83046800
 C                 -7.95277900   -5.40015700    2.47417900
 C                 -6.80038500   -4.79007900    0.41525700
 C                 -8.00652400   -5.03748200   -0.31841200
 C                 -9.17590000   -5.47362200    0.36953500
 C                 -9.15045200   -5.65489100    1.74224400
 C                 -5.63374900   -4.36831300   -0.27815300
 C                 -5.63771000   -4.17491600   -1.65043200
 C                 -6.84251300   -4.40980900   -2.36825700
 C                 -7.98800500   -4.83169900   -1.72580100
 C                 -4.37305300   -3.79244200   -2.42203600
 C                 -3.59620500   -2.71413200   -1.68070500
 O                 -4.01898500   -1.49101900   -1.92280100
 O                 -2.67193400   -2.95099100   -0.91189400
 O                -10.20306100   -6.06714200    2.49337600
 C                -11.42974200   -6.34863800    1.86019300
 H                 -5.90346700   -4.77670400    2.39874700
 H                 -7.97529000   -5.54908000    3.55608000
 H                -10.08014400   -5.65749100   -0.21166100
 H                 -4.72437100   -4.19914300    0.30350600
 H                 -6.85644700   -4.25449200   -3.45137000
 H                 -8.90210900   -5.00988500   -2.29931600
 H                 -3.46140100   -0.83389200   -1.42035700
 H                -11.33303900   -7.16613900    1.12170200
 H                -12.12665200   -6.66211300    2.64948400
 H                -11.84340400   -5.45941300    1.34978700
 C                 -0.14890300    3.15513800   -1.37814700
 H                  0.21113400    3.54799900   -2.34112400
 H                  0.36936800    3.69341100   -0.56907200
 H                 -1.22297800    3.38016200   -1.29382000
 C                  0.30158600   -3.28087700    0.82151200
 O                 -0.42078900   -4.11216500    0.07381600
 H                 -1.25009300   -3.67257200   -0.23569800
 O                 -0.03726300   -2.14734100    1.09885400
 C                  1.60156200   -3.90631900    1.26837300
 H                  2.07854400   -3.27596700    2.02891000
 H                  2.27146600   -3.99799500    0.39745500
 H                  1.42685600   -4.92040000    1.65726900
 H                 -3.75806911   -4.64411674   -2.62537059
 C                 -4.82469879   -3.15516482   -3.74924882
 H                 -3.98889503   -2.68091810   -4.21980396
 H                 -5.21417859   -3.91422402   -4.39503099
 H                 -5.58482848   -2.42756899   -3.55506547
