81

 C                  0.41264100    1.30947900   -2.41055500
 C                  1.01412300    2.52608300   -2.68364000
 C                  2.28944900    2.61001300   -3.29727400
 C                  2.97021900    1.46304500   -3.63356000
 C                  2.40095100    0.18334300   -3.37839200
 C                  1.10083700    0.09412200   -2.76817700
 C                  3.09491600   -1.01144500   -3.72189600
 C                  2.54267200   -2.25103400   -3.47733700
 C                  1.25932800   -2.34619700   -2.88676500
 C                  0.55686500   -1.20592900   -2.54991900
 C                 -0.96430400    1.23791900   -1.74944100
 N                 -0.85803800    0.66520300   -0.39604900
 C                 -1.63535400   -0.35779000    0.00492000
 C                 -1.43693600   -0.86453300    1.41336500
 O                 -2.48153800   -0.88532500   -0.72332000
 C                 -1.56413000   -2.24455900    1.64402400
 C                 -1.45645400   -2.72132600    2.94979400
 C                 -1.23250300   -1.88514900    4.04032400
 C                 -1.10268200   -0.52429300    3.77579300
 C                 -1.20111300    0.00249100    2.48607300
 N                 -1.59631600   -4.17835900    3.20442200
 O                 -1.39422300   -4.56407000    4.34367000
 O                 -1.90897200   -4.88138800    2.26245300
 N                 -0.85032700    0.38925600    4.90547700
 O                 -0.94466500   -0.05269300    6.03082600
 O                 -0.55857900    1.55522400    4.64001400
 H                  2.72575600    3.59253600   -3.49418700
 H                  3.95650100    1.51704600   -4.10309400
 H                  4.08186100   -0.92632000   -4.18601300
 H                  3.08999000   -3.15993300   -3.74136900
 H                  0.80997500   -3.32140800   -2.68370300
 H                 -0.43311500   -1.32702700   -2.11305300
 H                 -1.57765200    0.51967800   -2.31162700
 H                 -0.14331800    1.04955200    0.22680000
 H                 -1.71151100   -2.93760500    0.81107400
 H                 -1.15875300   -2.28377400    5.05044300
 H                 -1.08325800    1.07439900    2.33708900
 H                  0.50544300    3.45617800   -2.42647100
 C                  1.56690700    6.88092300   -0.47612300
 C                  1.69335900    8.21459400   -0.77639300
 C                  2.55596100    6.19895900    0.29345300
 C                  3.69035000    6.94484500    0.75272200
 C                  3.80528200    8.32802700    0.42975900
 C                  2.82527400    8.95458700   -0.32181600
 C                  2.45090900    4.81985400    0.61360700
 C                  3.41720800    4.17396900    1.36793800
 C                  4.53460200    4.92347000    1.82654300
 C                  4.66962500    6.26336300    1.52659800
 C                  3.33560800    2.67662000    1.66873300
 C                  1.95705200    2.32980600    2.21231100
 O                  1.87877300    2.46107400    3.53052800
 O                  1.01155000    1.98174100    1.52415100
 O                  2.83546200   10.26081100   -0.68383800
 C                  3.91278400   11.07643100   -0.28052800
 H                  0.69380300    6.32383300   -0.82800800
 H                  0.94091500    8.74477700   -1.36427200
 H                  4.67932900    8.87213000    0.78954000
 H                  1.58141100    4.26527100    0.25003300
 H                  5.29998800    4.42426900    2.42794700
 H                  5.53935200    6.81890600    1.88907600
 H                  0.97158500    2.23935600    3.83831200
 H                  4.87461100   10.71614400   -0.68909100
 H                  3.71097400   12.08155800   -0.67513200
 H                  3.99456100   11.13243400    0.82036900
 C                 -1.74279000    2.55774100   -1.69826200
 H                 -1.85909100    2.98591200   -2.70543200
 H                 -1.24819600    3.30370500   -1.05636300
 H                 -2.74703300    2.37345100   -1.28754100
 C                 -2.48364600   -4.06483700   -1.82272800
 C                 -2.86022300   -5.30800300   -2.59162100
 H                 -2.96998000   -5.06199600   -3.66011800
 H                 -3.83533400   -5.68256900   -2.24404800
 H                 -2.08908300   -6.07670800   -2.46134800
 O                 -1.42830800   -3.92102200   -1.23317200
 O                 -3.43124400   -3.13342200   -1.86242600
 H                 -3.11293100   -2.32741900   -1.38083500
 C                  4.32864833    2.38506807    2.80911380
 H                  4.17522202    1.38945495    3.16982820
 H                  5.32968948    2.48175963    2.44378194
 H                  4.17100278    3.08141796    3.60607347
 H                  3.58035193    2.07533764    0.81816853
