81

 C                  1.13016200    0.83462000   -2.04615400
 C                  1.74113900    2.04409100   -2.33577300
 C                  3.15113200    2.20198600   -2.28350700
 C                  3.95233500    1.13812800   -1.93502500
 C                  3.38039800   -0.13086600   -1.63675000
 C                  1.95196500   -0.29732100   -1.69615800
 C                  4.19973200   -1.23929100   -1.28058900
 C                  3.64550100   -2.46739000   -0.98818100
 C                  2.24147900   -2.64037900   -1.04983100
 C                  1.42029600   -1.58692900   -1.40025000
 C                 -0.39326300    0.69054800   -2.07052400
 N                 -0.88533500    0.50227200   -0.69772800
 C                 -1.68657200   -0.52163700   -0.35010300
 C                 -2.03733700   -0.64634200    1.11283400
 O                 -2.10221500   -1.35208500   -1.16326500
 C                 -2.21775100   -1.94036800    1.62780100
 C                 -2.55639900   -2.09208800    2.97083200
 C                 -2.72232100   -1.00865100    3.82975100
 C                 -2.54744500    0.26029400    3.28571400
 C                 -2.20795000    0.46601700    1.94704000
 N                 -2.75514000   -3.45865900    3.51750400
 O                 -2.97724200   -3.55145700    4.71292900
 O                 -2.69097000   -4.38787900    2.73445100
 N                 -2.71041600    1.43489700    4.16725500
 O                 -2.79234300    1.23269400    5.36685800
 O                 -2.74293500    2.53557100    3.63833700
 H                  3.59198300    3.17352200   -2.52127700
 H                  5.03917000    1.25157300   -1.88842700
 H                  5.28349500   -1.09604000   -1.24230200
 H                  4.28650600   -3.30851100   -0.71105800
 H                  1.78524700   -3.60536900   -0.81615100
 H                  0.34807900   -1.77193500   -1.44511900
 H                 -0.64677500   -0.24000200   -2.59771400
 H                 -0.56644700    1.18240200   -0.00402300
 H                 -2.05777400   -2.81725300    0.99744900
 H                 -2.97524900   -1.15178400    4.87867000
 H                 -2.06912900    1.48693400    1.58970000
 H                  1.13498500    2.90644200   -2.61747600
 C                 -0.10634100    3.59597300    6.53460200
 C                  0.38891800    3.52734600    7.81324900
 C                  0.62919100    4.24467100    5.49715500
 C                  1.90351700    4.81657700    5.81732700
 C                  2.39830200    4.73570600    7.15106200
 C                  1.65286300    4.10609600    8.13441600
 C                  0.13227000    4.34287100    4.17065300
 C                  0.85030800    4.98318900    3.17382700
 C                  2.12132200    5.53443100    3.49499600
 C                  2.63008700    5.45668500    4.77500100
 C                  0.31076600    5.09485900    1.74469200
 C                  0.61094800    3.79811600    1.00327200
 O                  1.85180000    3.76537600    0.51351600
 O                 -0.17450300    2.87767800    0.86623000
 O                  2.02362100    3.98057400    9.43265400
 C                  3.24973500    4.53428900    9.85326400
 H                 -1.07538600    3.14717100    6.29817500
 H                 -0.16457300    3.03493700    8.61572500
 H                  3.36908800    5.18160300    7.37158300
 H                 -0.84574600    3.90597800    3.95829600
 H                  2.70017000    6.03362900    2.71249600
 H                  3.60515900    5.89725300    5.00292300
 H                  1.99270900    2.92088300    0.04314700
 H                  3.28190100    5.62773800    9.69296500
 H                  3.33535300    4.32862000   10.92903800
 H                  4.10850800    4.07469900    9.33052600
 C                 -1.15628100    1.82978100   -2.75524900
 H                 -0.80373400    1.97955300   -3.78735900
 H                 -1.05472700    2.77890000   -2.20635500
 H                 -2.22666800    1.57802400   -2.79244400
 C                 -1.51133600   -4.65996800   -1.34433500
 O                 -0.75227600   -4.23541000   -0.49344700
 O                 -2.43348900   -3.90963800   -1.94080100
 H                 -2.35983000   -2.97999400   -1.60499000
 C                 -1.51015500   -6.08322600   -1.84874700
 H                 -0.81619700   -6.69062700   -1.25545200
 H                 -1.20722400   -6.09625700   -2.90828500
 H                 -2.52653000   -6.50275200   -1.79747600
 C                  1.13736679    6.18216520    1.03328750
 H                  0.82688065    6.25511042    0.01192696
 H                  0.98444353    7.12241036    1.52057952
 H                  2.17510251    5.92444048    1.07306870
 H                 -0.72893376    5.34043661    1.68455839
