50

 C                  3.25305300    1.01357000   -1.65975100
 C                  3.61914000    2.27435900   -1.22133700
 C                  4.59031200    2.46185700   -0.20607800
 C                  5.20430300    1.37473600    0.37181100
 C                  4.87282800    0.05409800   -0.04297400
 C                  3.88242400   -0.14064500   -1.06937100
 C                  5.51042800   -1.07797800    0.53898100
 C                  5.19235100   -2.35758400    0.13705700
 C                  4.21608400   -2.55517900   -0.86939700
 C                  3.57767600   -1.48006700   -1.45655800
 C                  2.18532000    0.83750700   -2.74175700
 N                  0.90323500    0.44279000   -2.14305500
 C                  0.24514600   -0.68621100   -2.50221900
 C                 -1.12057300   -0.90116900   -1.88062700
 O                  0.69842900   -1.52705900   -3.27140700
 C                 -1.63849000   -2.20367300   -1.92796700
 C                 -2.89084000   -2.46365800   -1.37692800
 C                 -3.66713300   -1.47053100   -0.78322000
 C                 -3.13955300   -0.18272700   -0.77556100
 C                 -1.88838600    0.12315900   -1.31350700
 N                 -3.42421100   -3.84777800   -1.41775500
 O                 -4.53342200   -4.03160000   -0.94598200
 O                 -2.71731800   -4.70466100   -1.91717700
 N                 -3.93094400    0.90349300   -0.16168300
 O                 -4.89961900    0.58989200    0.50632400
 O                 -3.55542800    2.05082200   -0.35737500
 H                  4.85141400    3.47616200    0.10768400
 H                  5.95833400    1.50900700    1.15260700
 H                  6.26421300   -0.91102100    1.31376700
 H                  5.69129400   -3.21850300    0.58989500
 H                  3.96363100   -3.57005400   -1.18783700
 H                  2.82617200   -1.67412800   -2.22404100
 H                  2.47310700   -0.00649600   -3.38168900
 H                  0.49729000    1.09689200   -1.47628900
 H                 -1.05778300   -2.99807500   -2.39659100
 H                 -4.64009700   -1.69429800   -0.34977800
 H                 -1.54432700    1.15641500   -1.27473900
 H                  3.15559200    3.15786600   -1.66313300
 C                  0.42100943    5.19515111   -0.07307054
 C                 -0.51477891    4.01265435   -0.31923709
 O                 -0.21717600    2.93471800   -0.79220800
 O                 -1.78075313    4.29785347    0.01726570
 H                  0.06469347    5.95576790   -0.79437783
 H                 -2.31529063    3.50554465   -0.16543008
 C                  1.97586200    2.05720100   -3.64924300
 H                  2.92699700    2.39412900   -4.08935500
 H                  1.52360700    2.89712100   -3.09992100
 H                  1.29158800    1.78885000   -4.46846500
 H                  1.43524384    4.96572507   -0.32524559
 H                  0.27487006    5.59993820    0.90656750
