81

 C                 -3.61495700    0.72071500    2.54426500
 C                 -3.31582300    1.73769300    3.43401600
 C                 -4.08135600    2.92894600    3.49337600
 C                 -5.15843800    3.10009200    2.65519700
 C                 -5.51567700    2.08653800    1.72176300
 C                 -4.73875100    0.87700700    1.65544800
 C                 -5.12922900   -0.11504500    0.70665900
 C                 -6.21761900    0.07761200   -0.12183200
 C                 -6.97869900    1.26945600   -0.05184300
 C                 -6.63186300    2.24971700    0.85324200
 H                 -7.21293200    3.17400300    0.91899400
 H                 -7.83836000    1.40747100   -0.71288800
 H                 -6.49397500   -0.70088800   -0.83792400
 H                 -4.56734400   -1.04633200    0.62021900
 H                 -5.75570300    4.01544500    2.69383300
 H                 -3.80896100    3.70766300    4.21054200
 H                 -2.46863800    1.63333100    4.11359400
 C                 -2.76054300   -0.54651600    2.47886700
 H                 -3.41740600   -1.40163700    2.27627500
 C                 -1.97749800   -0.86919400    3.75716600
 H                 -1.19621900   -0.12078700    3.96259800
 H                 -1.48841100   -1.84984100    3.65089000
 H                 -2.64873300   -0.91289800    4.62846200
 N                 -1.85178200   -0.49210000    1.32436700
 H                 -1.13914700    0.23536700    1.33663900
 C                 -1.84513000   -1.44545100    0.35999800
 O                 -2.56989100   -2.43420400    0.37108000
 C                 -0.87447400   -1.24726900   -0.78591100
 C                 -0.42735100    0.00538600   -1.22571300
 H                 -0.73819200    0.93570700   -0.74948900
 C                 -0.46452200   -2.40320100   -1.46625400
 H                 -0.83233700   -3.37796700   -1.14776500
 C                  0.40936900   -2.29078300   -2.54378100
 N                  0.88737300   -3.52018700   -3.21386500
 O                  0.50309500   -4.58981400   -2.76980100
 O                  1.64924800   -3.38666200   -4.15676900
 C                  0.87138100   -1.06044200   -3.00463300
 H                  1.54955300   -0.98783000   -3.85243300
 C                  0.42853000    0.07184000   -2.32836200
 N                  0.88494800    1.39675200   -2.80635000
 O                  0.49213400    2.37737200   -2.19273400
 O                  1.61721700    1.42511100   -3.77786300
 C                  2.62867600   -3.46261300    0.41579100
 C                  3.14914100   -4.22006900   -0.61520900
 C                  4.08478400   -3.64530200   -1.52253400
 C                  4.47510000   -2.32162900   -1.35801400
 C                  3.94411300   -1.52776900   -0.31371700
 C                  4.29655800   -0.15619100   -0.13966800
 C                  3.73466200    0.60182900    0.86263600
 H                  4.00602900    1.65576200    0.96101500
 H                  5.01841400    0.29364800   -0.82708200
 H                  5.19347800   -1.89846600   -2.06391400
 O                  4.63615100   -4.32191600   -2.55588500
 C                  4.13793100   -5.59910600   -2.91005400
 H                  3.06118100   -5.56228100   -3.14719700
 H                  4.69029900   -5.90454700   -3.80899200
 H                  4.31577600   -6.34614900   -2.11537400
 H                  2.83348800   -5.25683100   -0.73105200
 H                  1.91117400   -3.91552700    1.10627200
 C                  2.99400300   -2.10245000    0.59753100
 C                  2.43727900   -1.29055900    1.62571700
 H                  1.70965700   -1.74115500    2.30811600
 C                  2.78537000    0.03954300    1.76823900
 C                  2.16930600    0.90164700    2.87043200
 C                  1.44497200    2.06693900    2.20929000
 O                  1.99855000    3.13398900    1.97142400
 O                  0.19138800    1.81704800    1.87629400
 H                 -0.20698200    2.61231000    1.36101600
 C                 -0.14641500    4.57937800   -0.11697300
 O                  1.07829700    4.90477800    0.22242100
 H                  1.42618600    4.28263900    0.92925600
 C                 -0.70456300    5.38043200   -1.25724000
 H                 -0.34849500    6.41910900   -1.22222100
 H                 -1.80037200    5.33331900   -1.24854000
 H                 -0.33450700    4.92080300   -2.18882200
 O                 -0.78695900    3.67726900    0.42518800
 H                  2.88777516    1.24438602    3.58543692
 C                  1.10493550    0.05776366    3.57461688
 H                  0.57543870    0.66588200    4.27798395
 H                  1.57586414   -0.75408117    4.08845944
 H                  0.41913976   -0.32867633    2.84987668
