81

 C                  2.29247500    2.49737300    0.79523400
 C                  1.85077200    2.58884000    2.10647600
 C                  2.71913300    2.38943800    3.20589200
 C                  4.04864800    2.10604900    2.98879100
 C                  4.56100700    2.01317600    1.66502600
 C                  3.67917400    2.21000600    0.54201400
 C                  4.23982600    2.11210000   -0.76636500
 C                  5.57904900    1.83838500   -0.95514500
 C                  6.43989900    1.64497600    0.15250500
 C                  5.93684500    1.72985400    1.43239200
 H                  6.59175600    1.58192400    2.29587500
 H                  7.49884400    1.42804000   -0.01086000
 H                  5.97640000    1.76586500   -1.97073500
 H                  3.60666600    2.24672200   -1.64311000
 H                  4.73144700    1.95519400    3.82962700
 H                  2.32656500    2.46878700    4.22270200
 H                  0.80333600    2.83182100    2.30700400
 C                  1.30709400    2.76838300   -0.33628700
 H                  1.71916000    2.41521100   -1.29210300
 C                  1.02268200    4.27404000   -0.47794400
 H                  0.33340600    4.45489300   -1.31369000
 H                  1.96386900    4.81012100   -0.67492700
 H                  0.58503900    4.67867400    0.44801500
 N                  0.06892200    1.99974700   -0.10562400
 H                  0.08791100    1.32193700    0.64919000
 C                 -0.89009200    1.87573600   -1.06172900
 O                 -0.84170000    2.44383600   -2.14543400
 C                 -2.05999300    0.97660800   -0.72428500
 C                 -2.46676400    0.71007200    0.58807400
 H                 -1.96325300    1.13998300    1.45376500
 C                 -2.77996000    0.42581800   -1.79663400
 H                 -2.48003600    0.63288700   -2.82497100
 C                 -3.86890800   -0.40044100   -1.52995900
 N                 -4.62998800   -0.98499400   -2.66335000
 O                 -5.54119200   -1.74668100   -2.38578500
 O                 -4.29492800   -0.66143300   -3.78751800
 C                 -4.27988900   -0.70506800   -0.23405100
 H                 -5.12614800   -1.36382200   -0.04845100
 C                 -3.56153800   -0.12739300    0.80761600
 N                 -3.95854300   -0.42774500    2.19859800
 O                 -4.77429000   -1.32099600    2.36884600
 O                 -3.43414000    0.22140700    3.08708400
 C                  1.15057100   -1.36817400    3.37009400
 C                  0.30028500   -1.45395900    4.44534700
 C                 -0.98109400   -2.06840400    4.31262700
 C                 -1.36941600   -2.59567500    3.09038400
 C                 -0.50125000   -2.51751400    1.96343500
 C                 -0.86268400   -3.03611500    0.68725800
 C                 -0.01431800   -2.93462100   -0.39540700
 H                 -0.32978600   -3.32318900   -1.36532200
 H                 -1.83581900   -3.52277000    0.57229800
 H                 -2.34444600   -3.06787500    2.96483500
 O                 -1.72824000   -2.07823500    5.43802500
 C                 -3.04360900   -2.59874600    5.38975900
 H                 -3.45905200   -2.48450100    6.40009200
 H                 -3.67217500   -2.04341100    4.67339800
 H                 -3.04582900   -3.67109200    5.12197200
 H                  0.57192800   -1.05401500    5.42471000
 H                  2.12625000   -0.88723400    3.48154800
 C                  0.78112100   -1.89014900    2.09459500
 C                  1.63462900   -1.80717400    0.96050900
 H                  2.61145000   -1.32811200    1.07873700
 C                  1.26262200   -2.31562700   -0.27335400
 C                  2.20602500   -2.20868200   -1.46623900
 C                  1.66309600   -1.21776100   -2.49114900
 O                  0.57955200   -1.38323300   -3.04787800
 O                  2.45419900   -0.19807800   -2.72609500
 H                  2.04563000    0.42650000   -3.42109100
 C                  0.22781000    1.44407900   -4.77353700
 O                 -0.57380700    0.41667500   -4.59308500
 H                 -0.11765000   -0.30136600   -4.05401800
 C                 -0.41698700    2.60807500   -5.46854000
 H                  0.35095300    3.26221600   -5.89961200
 H                 -0.98006100    3.16722200   -4.70340000
 H                 -1.12542400    2.26512300   -6.23532300
 O                  1.39808700    1.46638600   -4.39528800
 H                  2.39513532   -3.14756363   -1.94335383
 C                  3.53421041   -1.63145258   -0.97265040
 H                  4.22430636   -1.57631983   -1.78851067
 H                  3.93556199   -2.26333802   -0.20809974
 H                  3.37162485   -0.65101658   -0.57615176
