81

 C                  0.88497000    0.84257900   -2.05924900
 C                  1.95189700    1.71637000   -2.18013100
 C                  3.27352900    1.25361300   -2.40105700
 C                  3.52635000   -0.09544900   -2.49210800
 C                  2.46778800   -1.04042500   -2.37813600
 C                  1.12243900   -0.57550100   -2.16969100
 C                  2.71751300   -2.43910300   -2.46788600
 C                  1.69207600   -3.35403600   -2.35463800
 C                  0.36417100   -2.90318100   -2.15956700
 C                  0.08792800   -1.55248700   -2.07755000
 C                 -0.52816900    1.35366800   -1.78232000
 N                 -0.92270800    0.97012500   -0.41331900
 C                 -2.07166400    0.31705700   -0.12955400
 C                 -2.25427600   -0.11158500    1.30517800
 O                 -2.92360900    0.06818400   -0.98161400
 C                 -2.77758300   -1.39060800    1.55844300
 C                 -2.98919000   -1.77439900    2.88162500
 C                 -2.71092000   -0.94122300    3.96415200
 C                 -2.19036900    0.31570000    3.67767100
 C                 -1.95493000    0.74531900    2.37080800
 N                 -3.54545900   -3.12183000    3.16354900
 O                 -3.79676900   -3.39141000    4.32413600
 O                 -3.71566500   -3.86460800    2.21254200
 N                 -1.87777700    1.23408100    4.79977700
 O                 -2.09418500    0.83097200    5.92795900
 O                 -1.42195600    2.32829400    4.51266300
 H                  4.08712400    1.97770500   -2.49334900
 H                  4.54382700   -0.46198100   -2.65463900
 H                  3.74579300   -2.77622100   -2.62714200
 H                  1.89952900   -4.42541600   -2.41869100
 H                 -0.45884800   -3.61576600   -2.06550000
 H                 -0.95111200   -1.25427700   -1.94317200
 H                 -1.23271600    0.81898500   -2.43546300
 H                 -0.21602000    1.05138900    0.31059200
 H                 -2.98736100   -2.08052400    0.73519400
 H                 -2.89433100   -1.25969100    4.98883000
 H                 -1.56263300    1.75101900    2.21529500
 H                  1.78769500    2.79264400   -2.10622900
 C                 -6.79108800   -5.55583000    1.73217000
 C                 -7.86521400   -6.01117400    2.45687300
 C                 -6.90852600   -5.28912600    0.33427900
 C                 -8.17866800   -5.49924400   -0.29530000
 C                 -9.28065600   -5.97161800    0.47574600
 C                 -9.12737000   -6.22600900    1.82797500
 C                 -5.81233100   -4.82451300   -0.44046000
 C                 -5.94330700   -4.55694200   -1.79419300
 C                 -7.20906200   -4.75990200   -2.40828300
 C                 -8.29069400   -5.21940500   -1.68503600
 C                 -4.75294300   -4.10871500   -2.64349100
 C                 -3.99404800   -2.99356200   -1.93301500
 C                 -3.82029000   -5.27761600   -2.99551400
 O                 -4.52931900   -1.79555900   -2.13077800
 O                 -3.01116300   -3.17891000   -1.23496900
 O                -10.10746100   -6.67754900    2.65214100
 C                -11.39136100   -6.91378900    2.12280800
 H                 -5.82971300   -5.38175000    2.22315400
 H                 -7.78742800   -6.21887700    3.52646500
 H                -10.23642400   -6.12405100   -0.02730400
 H                 -4.85204400   -4.67638900    0.06006900
 H                 -7.32402600   -4.54635900   -3.47533800
 H                 -9.25467900   -5.37000600   -2.18015000
 H                 -5.15801900   -3.66823900   -3.56784400
 H                 -3.00250600   -4.94932300   -3.65752200
 H                 -3.37184000   -5.70059700   -2.08488700
 H                 -4.38336000   -6.07213300   -3.50838200
 H                 -3.99907500   -1.11825000   -1.64081100
 H                -11.37503000   -7.68947600    1.33479100
 H                -12.01599700   -7.26517200    2.95565600
 H                -11.83801500   -5.99409800    1.70201300
 C                 -0.75094900    2.85365000   -2.00035700
 H                 -0.47951300    3.14388700   -3.02658400
 H                 -0.16276600    3.46727800   -1.29973200
 H                 -1.81399500    3.09121300   -1.84635900
 C                  2.53251581    1.78122852    1.86414767
 O                  1.66611340    1.50513729    0.99426776
 O                  2.12472039    2.14587068    3.18537400
 H                  1.16641535    2.13120709    3.24047781
 C                  3.98182104    1.72949471    1.52218575
 H                  4.09659354    1.44127583    0.49814612
 H                  4.47131656    1.01521724    2.15075701
 H                  4.41832926    2.69483982    1.67208370
