81

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 C                  1.89064900    2.02973200   -2.06640100
 C                  3.29487800    2.23546500   -2.04890000
 C                  4.14715600    1.16566100   -1.89460700
 C                  3.63176500   -0.15430000   -1.76180800
 C                  2.20789800   -0.36647600   -1.77291200
 C                  4.50524500   -1.26995200   -1.62365200
 C                  4.00822500   -2.54956700   -1.50178700
 C                  2.60868400   -2.76399200   -1.51212600
 C                  1.73147600   -1.70534900   -1.64206100
 C                 -0.18604500    0.57701000   -1.90002600
 N                 -0.64092100    0.34276900   -0.52352300
 C                 -1.32182100   -0.77032900   -0.16009000
 C                 -1.76048100   -0.85813300    1.28922800
 O                 -1.56685300   -1.70056400   -0.92154400
 C                 -2.08482900   -2.13830000    1.76317200
 C                 -2.48388500   -2.30074900    3.08690100
 C                 -2.59106800   -1.22906400    3.96983800
 C                 -2.29797800    0.03360100    3.46294000
 C                 -1.88701800    0.24495900    2.14425700
 N                 -2.80736000   -3.66175400    3.58293600
 O                 -3.16469200   -3.76001900    4.74438700
 O                 -2.69306600   -4.58456900    2.79673000
 N                 -2.41775800    1.19730800    4.36485800
 O                 -2.47295400    0.97982200    5.56318900
 O                 -2.44749700    2.30483000    3.85039100
 H                  3.69143200    3.24765500   -2.16450600
 H                  5.23075700    1.31336400   -1.88204100
 H                  5.58428800   -1.09107000   -1.61988700
 H                  4.68920400   -3.39858500   -1.39992700
 H                  2.21561500   -3.77970500   -1.41797800
 H                  0.65982300   -1.91088200   -1.64287300
 H                 -0.43010100   -0.34488100   -2.44419900
 H                 -0.41910500    1.07443800    0.15215700
 H                 -2.02103400   -2.99345600    1.09059200
 H                 -2.89495500   -1.37452500    5.00485500
 H                 -1.66997400    1.26466700    1.82207800
 H                  1.24302000    2.89691000   -2.20551100
 C                  0.01333700    3.71629800    6.66327700
 C                  0.50074600    3.76344000    7.94598800
 C                  0.65048200    4.43985700    5.61007100
 C                  1.81398000    5.21702800    5.91994700
 C                  2.30201100    5.25353800    7.25822000
 C                  1.65705200    4.54027700    8.25529300
 C                  0.16150600    4.41385800    4.27763500
 C                  0.78039300    5.12841400    3.26473100
 C                  1.94097100    5.88796300    3.57653800
 C                  2.44024200    5.93346100    4.86226700
 C                  0.23891700    5.10665800    1.83237500
 C                  0.63585700    3.79416300    1.16841000
 C                 -1.27293400    5.34080600    1.73290700
 O                  1.90291400    3.79714300    0.74690700
 O                 -0.09803800    2.83285400    1.02712000
 O                  2.03478500    4.50688700    9.55732400
 C                  3.16075100    5.25038600    9.96493300
 H                 -0.87340100    3.11818700    6.43493800
 H                  0.02247400    3.21562800    8.76086500
 H                  3.18722500    5.85411800    7.47082100
 H                 -0.72966500    3.81746200    4.07330600
 H                  2.44109400    6.44966700    2.78217600
 H                  3.32887900    6.53243100    5.08179300
 H                  0.77058500    5.89321300    1.27369800
 H                 -1.59473500    5.38810600    0.68049300
 H                 -1.83852300    4.53260100    2.21742400
 H                 -1.53815600    6.29122800    2.21943100
 H                  2.10007400    2.93893500    0.32470800
 H                  3.02482200    6.33266900    9.78420100
 H                  3.27593800    5.08042800   11.04416500
 H                  4.08070600    4.91862100    9.44941700
 C                 -0.99618100    1.71547300   -2.53263300
 H                 -0.66246300    1.91651600   -3.56246700
 H                 -0.91954700    2.64696800   -1.95057000
 H                 -2.05883700    1.43159400   -2.56399800
 C                 -1.72312106   -3.57463607   -4.05561835
 O                 -1.17140847   -2.41791662   -4.28143914
 O                 -2.15004289   -3.91457544   -2.73384720
 H                 -1.95830923   -3.18668127   -2.13802149
 C                 -1.91152900   -4.54610321   -5.16955464
 H                 -1.53770786   -4.12327707   -6.07860679
 H                 -2.95313553   -4.76475386   -5.27977136
 H                 -1.37904309   -5.44790924   -4.95022693
