81

 C                 -2.42870654    3.04842927    1.64059544
 C                 -3.28490208    2.94730517    2.72379301
 C                 -2.87390090    3.29199460    4.03597644
 C                 -1.59517814    3.74603401    4.26167058
 C                 -0.67357882    3.87727399    3.18462833
 C                 -1.08483286    3.52348627    1.85176087
 C                 -0.13295406    3.67005583    0.80011981
 C                  1.14095782    4.14336122    1.04601931
 C                  1.53927566    4.48958772    2.36020993
 C                  0.64866933    4.35710950    3.40411800
 H                  0.94500862    4.62278374    4.42295270
 H                  2.55085555    4.86194223    2.54176808
 H                  1.84064511    4.25154501    0.21456201
 H                 -0.39936716    3.40953871   -0.22503098
 H                 -1.26914490    4.01642470    5.27000384
 H                 -3.58202759    3.19658595    4.86308848
 H                 -4.30812382    2.59641583    2.57840131
 C                 -2.87813490    2.63271892    0.24246532
 H                 -2.43058011    3.31536084   -0.49324133
 C                 -4.39361845    2.65116148    0.00405614
 H                 -4.59704109    2.43072573   -1.05460155
 H                 -4.81547333    3.64096416    0.23728788
 H                 -4.91811170    1.89659579    0.61085681
 N                 -2.32448975    1.30618029   -0.07186527
 H                 -2.24164686    0.64617751    0.69319103
 C                 -1.86003976    0.97224906   -1.30406973
 O                 -1.79019988    1.76940071   -2.23241163
 C                 -1.41488263   -0.46375369   -1.48264615
 C                 -1.84877053   -1.50205041   -0.64904576
 H                 -2.55151983   -1.34334866    0.16815000
 C                 -0.56176248   -0.75596623   -2.55934630
 H                 -0.24010256    0.03475657   -3.23977594
 C                 -0.11788112   -2.06496424   -2.73650577
 N                  0.79440285   -2.37669623   -3.86538728
 O                  1.23947927   -3.51069100   -3.92199220
 O                  1.02698390   -1.48415069   -4.65844609
 C                 -0.50049391   -3.10819230   -1.89661807
 H                 -0.12776512   -4.11951079   -2.04570607
 C                 -1.38180918   -2.79795831   -0.86627250
 N                 -1.82813953   -3.87358520    0.04231022
 O                 -1.24354105   -4.94147920   -0.01545539
 O                 -2.74980540   -3.61785120    0.80263434
 C                  0.36807789   -0.35034457    2.79815632
 C                 -0.60436424   -0.98254304    3.53636352
 C                 -0.73985749   -2.40368186    3.49546441
 C                  0.12711188   -3.15649479    2.71952447
 C                  1.13833143   -2.51987167    1.94316374
 C                  2.02546894   -3.25567049    1.10876558
 C                  2.96887274   -2.61321850    0.33257913
 H                  3.62891112   -3.20050930   -0.31240165
 H                  1.93976711   -4.34539553    1.07623370
 H                  0.04393497   -4.24243384    2.66949280
 O                 -1.74751586   -2.90558931    4.24458426
 C                 -2.02552996   -4.29198343    4.17775719
 H                 -2.89750065   -4.46471263    4.82294410
 H                 -2.26693104   -4.60122753    3.14631810
 H                 -1.17867306   -4.89495070    4.55281194
 H                 -1.29509955   -0.42181013    4.17000703
 H                  0.46029834    0.73873658    2.83680283
 C                  1.26497051   -1.09188556    1.97092926
 C                  2.25127596   -0.46305295    1.16584772
 H                  2.32143078    0.62837713    1.18711204
 C                  3.09463604   -1.19728110    0.34602133
 C                  4.14006773   -0.51060293   -0.53472704
 C                  3.42490040    0.48568917   -1.43801800
 O                  3.33885782    1.68032046   -1.15953752
 O                  2.88560228   -0.05728196   -2.50411583
 H                  2.36704007    0.63088510   -3.03575411
 C                  1.19406158    2.86218815   -3.40702009
 O                  1.78794831    3.42409618   -2.37493911
 H                  2.41575616    2.76701303   -1.93569567
 C                  0.17611553    3.72551312   -4.09450445
 H                  0.16175404    3.49417516   -5.16787141
 H                  0.36949262    4.79195057   -3.91961712
 H                 -0.80731843    3.45810597   -3.67353210
 O                  1.42503512    1.70915902   -3.76729880
 H                  4.92280144   -0.04553238    0.02735598
 C                  4.73508943   -1.58356254   -1.46548310
 H                  5.35047990   -1.11360962   -2.20395370
 H                  5.32566691   -2.26629028   -0.89102589
 H                  3.94254545   -2.11628533   -1.94816359
