80

 C                  0.33482500    1.08597800   -2.27975100
 C                  0.77958500    2.36344500   -2.57455800
 C                  2.02076400    2.59539700   -3.21877000
 C                  2.82511400    1.53604500   -3.56826300
 C                  2.41772000    0.19957400   -3.29562100
 C                  1.15452500   -0.04036000   -2.64988200
 C                  3.23747500   -0.90526900   -3.66103600
 C                  2.83775100   -2.20068100   -3.41198800
 C                  1.58931400   -2.44302700   -2.78960900
 C                  0.76984800   -1.39489400   -2.41859500
 C                 -1.00540900    0.85807900   -1.58117500
 N                 -0.81327300    0.41090700   -0.19201000
 C                 -1.42551300   -0.70146700    0.28232000
 C                 -1.30710700   -0.98477500    1.76801900
 O                 -2.06532100   -1.47991500   -0.41763700
 C                 -1.57697000   -2.29936100    2.17801400
 C                 -1.55140200   -2.61565800    3.53390500
 C                 -1.29307100   -1.66426200    4.51676800
 C                 -1.04084400   -0.36478400    4.08315500
 C                 -1.04055900   -0.00547000    2.73227700
 N                 -1.81895800   -4.01352800    3.95653000
 O                 -1.81108600   -4.24312100    5.15399700
 O                 -2.02412100   -4.83197400    3.07927500
 N                 -0.77488000    0.67029800    5.10182500
 O                 -0.86878700    0.35904700    6.27052000
 O                 -0.47914800    1.79652800    4.70617300
 H                  2.33197700    3.62142600   -3.43086800
 H                  3.78608800    1.70375700   -4.06268500
 H                  4.19517800   -0.70520400   -4.15016500
 H                  3.47662500   -3.04009500   -3.69934400
 H                  1.26695000   -3.47109000   -2.60389200
 H                 -0.18948700   -1.62080300   -1.95060200
 H                 -1.51346800    0.01975300   -2.07728100
 H                 -0.20091800    0.97200400    0.40182300
 H                 -1.81691000   -3.05765100    1.43301200
 H                 -1.29291600   -1.92727500    5.57293100
 H                 -0.82702700    1.02740900    2.45890600
 H                  0.16759900    3.22705100   -2.31004200
 C                  1.57945200    7.10270400   -0.33829300
 C                  1.74463400    8.43130100   -0.64280800
 C                  2.59820700    6.36628200    0.33636100
 C                  3.80410000    7.05226100    0.69554800
 C                  3.95805000    8.43098200    0.37033900
 C                  2.94758700    9.11112700   -0.28842900
 C                  2.45455700    4.99051400    0.65836300
 C                  3.45085400    4.29294900    1.32201800
 C                  4.64043700    4.98368300    1.68113300
 C                  4.81422500    6.31744200    1.37526500
 C                  3.33051300    2.79860000    1.62339700
 C                  1.96325200    2.48728800    2.21478100
 C                  3.61877100    1.92812100    0.39176700
 O                  1.92551900    2.66638600    3.52977500
 O                  0.99588600    2.12320200    1.56657200
 O                  2.99091500   10.41842600   -0.64504700
 C                  4.13897100   11.17655800   -0.33568600
 H                  0.65189900    6.59225300   -0.61285400
 H                  0.96991100    9.00300700   -1.15843000
 H                  4.88617500    8.92873200    0.65371200
 H                  1.52978200    4.48226100    0.37040700
 H                  5.43089300    4.44290400    2.20996000
 H                  5.73934200    6.82700900    1.66011900
 H                  4.06030500    2.56838900    2.41489000
 H                  3.59100800    0.85630300    0.64536000
 H                  2.88082300    2.11071200   -0.40160800
 H                  4.61699900    2.16234000   -0.00756700
 H                  1.02638900    2.46364000    3.87087700
 H                  5.04280700   10.77019200   -0.82529500
 H                  3.95553300   12.19251300   -0.71114500
 H                  4.31784700   11.22323300    0.75418500
 C                 -1.96747400    2.05283100   -1.61041800
 H                 -2.14309800    2.39506900   -2.64178800
 H                 -1.58890200    2.90302300   -1.02075900
 H                 -2.93475600    1.75214700   -1.17997000
 C                 -1.55915667    4.18194238    1.03745727
 O                 -1.74294341    2.97150673    0.74653025
 O                 -0.22978646    4.70442622    1.10590783
 C                 -2.65950775    5.02479158    1.29617084
 H                 -3.56706749    4.46634657    1.19934886
 H                 -2.66185267    5.83346799    0.59550189
 H                 -2.58462165    5.41416886    2.28999044
