81

 C                  0.92886343   -1.80409642    3.72893077
 C                  1.52112949   -2.99248146    4.12009230
 C                  2.92516020   -3.11130315    4.27419054
 C                  3.73989886   -2.03033085    4.03004248
 C                  3.18626219   -0.78239298    3.62624613
 C                  1.76107046   -0.65461575    3.47560417
 C                  1.24487297    0.61377346    3.07760042
 C                  2.07974354    1.68600351    2.82686488
 C                  3.48227291    1.54994558    2.97417154
 C                  4.01941593    0.34299436    3.36958266
 H                  5.10036013    0.23029886    3.49210516
 H                  4.13441955    2.40470675    2.77640178
 H                  1.65181942    2.63495316    2.49493430
 H                  0.16965539    0.75804237    2.96781186
 H                  4.82446089   -2.11334122    4.14351115
 H                  3.35206029   -4.06770600    4.58643929
 H                  0.90333753   -3.86914990    4.32060230
 C                 -0.58148426   -1.70160028    3.53986588
 H                 -0.92494900   -0.74789047    3.96790974
 C                 -1.41307847   -2.80963247    4.19554098
 H                 -2.48182503   -2.58759721    4.06024097
 H                 -1.20765800   -2.86380628    5.27544949
 H                 -1.21123924   -3.79603034    3.74978163
 N                 -0.88221049   -1.61966539    2.09729770
 H                 -0.21656240   -2.03993761    1.45737131
 C                 -1.92361587   -0.91555722    1.60494503
 O                 -2.69411797   -0.27720690    2.32704793
 C                 -2.10782531   -0.92665303    0.10865838
 C                 -1.67995086   -1.98945015   -0.69600457
 H                 -1.20761602   -2.88280698   -0.28737731
 C                 -2.75670662    0.17301654   -0.47704557
 H                 -3.10200524    1.00500787    0.14080148
 C                 -2.91636271    0.20137207   -1.86024913
 N                 -3.58317578    1.37007795   -2.48848699
 O                 -4.07400231    2.19872034   -1.74645435
 O                 -3.59833882    1.40937524   -3.70760572
 C                 -2.47714753   -0.82799456   -2.68903204
 H                 -2.60387930   -0.77688725   -3.76851718
 C                 -1.87224968   -1.92031602   -2.07572708
 N                 -1.39712791   -3.03924896   -2.91499918
 O                 -0.97004570   -4.02884150   -2.34177823
 O                 -1.45039880   -2.89932175   -4.12525835
 C                  2.59376340   -0.98372671   -0.74387234
 C                  2.76740272   -2.28394148   -1.15391680
 C                  2.33807278   -2.70219502   -2.45042535
 C                  1.74811394   -1.78804975   -3.30904293
 C                  1.55721327   -0.43469096   -2.90205541
 C                  0.94058316    0.53117650   -3.74539864
 C                  0.74540408    1.82969929   -3.31772437
 H                  0.25866128    2.54939705   -3.98197324
 H                  0.61509596    0.22995246   -4.74526883
 H                  1.40827025   -2.08314669   -4.30221013
 O                  2.55747123   -4.00706441   -2.73110262
 C                  2.09999426   -4.53338810   -3.96230141
 H                  2.37218631   -5.59754888   -3.96442228
 H                  1.00497523   -4.44016979   -4.05778242
 H                  2.58635266   -4.03805768   -4.82224884
 H                  3.23771902   -3.02991507   -0.50913632
 H                  2.93021167   -0.67430902    0.24963131
 C                  1.97973107   -0.01702887   -1.59693837
 C                  1.76627673    1.32669624   -1.19046408
 H                  2.08161593    1.61816096   -0.18513769
 C                  1.15810618    2.25229612   -2.02444808
 C                  0.92236299    3.69184610   -1.56745692
 C                 -0.05028785    3.68344357   -0.38610274
 O                  0.29020825    3.80725880    0.77613774
 O                 -1.30548566    3.49902688   -0.77472149
 H                 -1.89957006    3.40860592    0.01973622
 C                 -2.52445061    3.08339284    2.55214586
 O                 -2.55532625    2.13563182    3.47148871
 H                 -2.72218898    1.25370340    3.04238576
 C                 -2.15388037    4.44399179    3.07231726
 H                 -1.15597560    4.68177020    2.66809941
 H                 -2.13534624    4.47237000    4.16879259
 H                 -2.85868855    5.18976808    2.67627720
 O                 -2.75545228    2.85859948    1.37006999
 H                  1.82525482    4.21371038   -1.32799084
 C                  0.19431673    4.42126754   -2.71178774
 H                 -0.10383882    5.39444937   -2.38175683
 H                  0.85210710    4.51506910   -3.55048500
 H                 -0.67116823    3.86108972   -2.99820805
