81

 C                  1.33636500    1.05448200   -1.40278800
 C                  2.02881200    2.24922100   -1.30240300
 C                  3.42583400    2.32309500   -1.53075700
 C                  4.13284700    1.19182700   -1.86958200
 C                  3.47295900   -0.06421900   -1.98331300
 C                  2.05656000   -0.14642700   -1.74080900
 C                  4.19200500   -1.24182800   -2.33512700
 C                  3.55431300   -2.45953300   -2.43874800
 C                  2.16258100   -2.54766200   -2.19199300
 C                  1.43308100   -1.42521500   -1.85323100
 C                 -0.17021100    1.00001400   -1.15565100
 N                 -0.45557300    0.49661500    0.19818300
 C                 -1.31672400   -0.52875400    0.40829300
 C                 -1.64704500   -0.87948700    1.84820000
 O                 -1.83816700   -1.17483600   -0.49429200
 C                 -2.27396500   -2.11762300    2.05588900
 C                 -2.65495000   -2.48938500    3.34232800
 C                 -2.45526000   -1.66615300    4.44648800
 C                 -1.84248800   -0.43769800    4.21135800
 C                 -1.43533500   -0.02612400    2.93848200
 N                 -3.31064200   -3.80510600    3.55179900
 O                 -3.63404300   -4.08954600    4.69222500
 O                 -3.47955500   -4.50577900    2.57095000
 N                 -1.62932000    0.46261800    5.36222500
 O                 -2.03907200    0.11069400    6.44764900
 O                 -1.05279600    1.52924100    5.15257000
 H                  3.93408800    3.28737800   -1.44440500
 H                  5.20914600    1.24153000   -2.05799400
 H                  5.26594600   -1.15987200   -2.52635800
 H                  4.11698300   -3.35563100   -2.71375000
 H                  1.65809200   -3.51426800   -2.27234200
 H                  0.36278700   -1.53198600   -1.66786900
 H                 -0.60423300    0.24994200   -1.82850500
 H                  0.03671500    0.93726800    0.97378200
 H                 -2.46676600   -2.77105200    1.20509200
 H                 -2.76842800   -1.97082100    5.44334600
 H                 -0.96237600    0.95014900    2.82688100
 H                  1.49691700    3.16333800   -1.03508000
 C                  4.66152000   -1.95344600    5.85245800
 C                  5.11876000   -3.24162200    5.97730100
 C                  4.49782000   -1.34838200    4.57014700
 C                  4.82257700   -2.12139100    3.40746500
 C                  5.29528700   -3.45778900    3.55770100
 C                  5.44176400   -4.01039000    4.81921900
 C                  4.02910700   -0.01807000    4.41585400
 C                  3.88203500    0.56055700    3.16441100
 C                  4.20006600   -0.21519300    2.01582700
 C                  4.65608400   -1.51306200    2.13307400
 C                  3.38682800    2.00038200    2.99407500
 C                  1.90488400    2.04967400    3.32533500
 O                  1.63987800    2.02080000    4.61736400
 O                  1.01237200    2.07576500    2.47788100
 O                  5.88218400   -5.26685600    5.07514700
 C                  6.22298900   -6.10826100    3.99634800
 H                  4.41770000   -1.37219400    6.74633400
 H                  5.24837200   -3.71288700    6.95403500
 H                  5.53600300   -4.02493400    2.65788300
 H                  3.77582900    0.54723100    5.31606700
 H                  4.08219100    0.22650500    1.02288800
 H                  4.89279400   -2.08804000    1.23330300
 H                  0.66744900    1.98283600    4.76555900
 H                  7.05226400   -5.69023100    3.39657500
 H                  6.54452200   -7.06394300    4.43236100
 H                  5.36013700   -6.28993500    3.32964500
 C                 -0.92010700    2.31577300   -1.40719400
 H                 -0.71535400    2.68845500   -2.42308000
 H                 -0.64968800    3.10342500   -0.68833900
 H                 -2.00311300    2.13796300   -1.32162100
 C                  1.16066400    5.44109800    1.67941800
 O                  1.95438900    5.26923300    2.57666200
 O                  0.46871000    4.43721500    1.11805300
 H                  0.70359300    3.59621900    1.57855400
 C                  0.82697300    6.77722900    1.06434700
 H                  1.01911000    6.75221500   -0.02000100
 H                  1.42739900    7.56416900    1.53613100
 H                 -0.24567800    6.98944000    1.19726500
 H                  3.95073762    2.72052000    3.54932918
 C                  3.46491965    2.34770872    1.49578736
 H                  3.09075619    3.33785454    1.33922122
 H                  4.48281543    2.29543155    1.17012608
 H                  2.87544576    1.65116434    0.93699718
