81

 C                 -3.07289500    0.34657700   -4.17058300
 C                 -3.48855100    1.62232600   -3.81939900
 C                 -3.90013900    2.56519500   -4.79094100
 C                 -3.90835100    2.22251500   -6.12459700
 C                 -3.50029000    0.92537800   -6.54011100
 C                 -3.06887000   -0.03574700   -5.55660500
 C                 -2.66172100   -1.32209700   -6.02326700
 C                 -2.68165300   -1.64148700   -7.36524200
 C                 -3.11045800   -0.69271700   -8.32560500
 C                 -3.50853200    0.56112400   -7.91681500
 H                 -3.84081000    1.30224200   -8.64918000
 H                 -3.12258200   -0.95798900   -9.38587000
 H                 -2.36263600   -2.63541100   -7.68996700
 H                 -2.32330600   -2.07714700   -5.31268000
 H                 -4.22838100    2.94159000   -6.88372400
 H                 -4.21433500    3.56281300   -4.47313200
 H                 -3.50278900    1.91701800   -2.76527300
 C                 -2.64917900   -0.61787800   -3.06605100
 H                 -2.25767000   -1.54476100   -3.49710900
 C                 -3.81180600   -0.99397600   -2.13229300
 H                 -3.46432600   -1.68948500   -1.35451100
 H                 -4.61370700   -1.47708600   -2.71244500
 H                 -4.22818800   -0.10437700   -1.63813800
 N                 -1.51297500   -0.05246800   -2.32185600
 H                 -1.59008900    0.91342000   -2.01818000
 C                 -0.52433000   -0.81263200   -1.83528200
 O                 -0.46249300   -2.04048200   -2.01172800
 C                  0.57832900   -0.12693800   -1.06304700
 C                  0.37617800    1.01472900   -0.27583600
 H                 -0.59969800    1.49740800   -0.20317300
 C                  1.84239700   -0.73443600   -1.08748200
 H                  2.00797900   -1.64021000   -1.67010200
 C                  2.88528900   -0.17378800   -0.35457500
 N                  4.22504800   -0.80939000   -0.40725800
 O                  4.33583200   -1.82332800   -1.07417200
 O                  5.12235800   -0.27121700    0.21682700
 C                  2.71410000    0.95410900    0.44340100
 H                  3.53353900    1.36212400    1.03132200
 C                  1.44191100    1.51852500    0.47154600
 N                  1.20444900    2.67440700    1.36534300
 O                  0.05513400    3.07212500    1.47825100
 O                  2.16812600    3.14902200    1.94105500
 C                  3.73938100   -1.72014200    4.31377500
 C                  4.69209300   -0.84522400    4.77486400
 C                  4.37049800    0.52738700    4.99521100
 C                  3.08612600    0.98591400    4.75072600
 C                  2.08422900    0.09226500    4.27586000
 C                  0.75579200    0.52360800    4.00328900
 C                 -0.19638200   -0.35084000    3.52133500
 H                 -1.19854000    0.02455900    3.30643600
 H                  0.49445800    1.57183900    4.17325300
 H                  2.81736500    2.03175800    4.89920100
 O                  5.39610300    1.29106900    5.44052100
 C                  5.17445200    2.66432300    5.67873100
 H                  4.41139400    2.82448100    6.46206800
 H                  6.13125300    3.08071800    6.02106000
 H                  4.85745600    3.19305600    4.76171200
 H                  5.71564400   -1.16684400    4.97813100
 H                  3.99938900   -2.76837900    4.14130600
 C                  2.40718300   -1.28514500    4.04541900
 C                  1.40357100   -2.16025900    3.55018300
 H                  1.66820900   -3.20692400    3.37029900
 C                  0.11676800   -1.72003500    3.28561300
 C                 -0.92996300   -2.67567800    2.71069300
 C                 -1.09733800   -2.35321100    1.22820700
 O                 -1.81485800   -1.45238200    0.80465300
 O                 -0.36377100   -3.10961400    0.43946500
 H                 -0.42838200   -2.80201400   -0.51447900
 C                 -3.16422400    1.77741000    0.92123300
 O                 -3.10847200    0.72506300    1.72773300
 H                 -2.66689300   -0.05732000    1.29759900
 C                 -3.73256800    3.00152600    1.59129400
 H                 -4.51093700    2.73463700    2.31917900
 H                 -4.12003500    3.69537700    0.83449200
 H                 -2.91191800    3.50027500    2.13348300
 O                 -2.76508200    1.76525100   -0.23197000
 C                 -0.35074486   -4.09026281    2.77669416
 H                 -1.05058883   -4.78218336    2.35673658
 H                 -0.16039404   -4.35048494    3.79696423
 H                  0.56382208   -4.12740519    2.22253918
 H                 -1.86895171   -2.65098130    3.22312863
