80

 C                  3.17782220   -0.82026859    3.39406389
 C                  3.55301828   -2.12076697    3.09998401
 C                  4.74443362   -2.41202518    2.39282767
 C                  5.57568381   -1.39413999    1.98369260
 C                  5.23152545   -0.03811627    2.24011304
 C                  4.00700624    0.26479651    2.93590810
 C                  3.66969898    1.64014359    3.12228241
 C                  4.50560291    2.64671143    2.68032450
 C                  5.72397933    2.34263144    2.02518391
 C                  6.07161490    1.02695168    1.80677026
 H                  7.00025588    0.77758074    1.28407420
 H                  6.37636400    3.15030530    1.68089135
 H                  4.21415414    3.69060526    2.82699109
 H                  2.71483342    1.90790001    3.57905847
 H                  6.50360092   -1.61055556    1.44585750
 H                  4.99871756   -3.45360239    2.17744952
 H                  2.90590399   -2.94568584    3.40124712
 C                  1.88931575   -0.55179862    4.18169868
 H                  1.98698913    0.41778376    4.68480797
 C                  1.58622853   -1.61497920    5.25039330
 H                  0.75176357   -1.27035135    5.88176289
 H                  2.46174515   -1.79148396    5.89536936
 H                  1.27810135   -2.56421111    4.78748143
 N                  0.73736094   -0.43371512    3.28697575
 H                  0.45475610   -1.32926986    2.81637180
 C                  0.07688856    0.72407765    3.10903513
 O                  0.39567388    1.80710923    3.60747312
 C                 -1.13954056    0.66005294    2.20386384
 C                 -1.55667874    1.86327743    1.62326621
 H                 -1.00442942    2.77779734    1.83592049
 C                 -1.86252254   -0.51590255    1.95444041
 H                 -1.56398284   -1.47202959    2.38747793
 C                 -2.98796343   -0.45468862    1.13069582
 N                 -3.78202001   -1.68390633    0.90357540
 O                 -3.46718354   -2.68245793    1.52763024
 O                 -4.71613128   -1.61287355    0.12068839
 C                 -3.40831302    0.72069732    0.51617187
 H                 -4.27293341    0.73562572   -0.14350435
 C                 -2.66583729    1.87074742    0.77791896
 N                 -3.05392244    3.12848253    0.11430814
 O                 -2.31007391    4.09166038    0.24170389
 O                 -4.08777826    3.13666938   -0.53594151
 C                 -1.19478101    1.36891114   -5.18367361
 C                 -1.78466669    2.60855471   -5.25778338
 C                 -1.76296615    3.48776466   -4.13542362
 C                 -1.11898355    3.10569874   -2.97166630
 C                 -0.50153272    1.82405600   -2.87642144
 C                  0.13809128    1.38103246   -1.68634345
 C                  0.67834547    0.11469458   -1.59542524
 H                  1.12074374   -0.22548813   -0.65620379
 H                  0.18239887    2.05684353   -0.82787842
 H                 -1.09050801    3.75763392   -2.09776253
 O                 -2.41155397    4.67095818   -4.31272476
 C                 -2.52222748    5.54842259   -3.21222018
 H                 -3.12831078    6.40060505   -3.55188295
 H                 -3.01582586    5.06910917   -2.34878898
 H                 -1.53404344    5.92182003   -2.88447504
 H                 -2.29591685    2.94752928   -6.16191664
 H                 -1.22989079    0.69527061   -6.04505655
 C                 -0.54453270    0.92630195   -3.99332479
 C                  0.03312588   -0.36599295   -3.87218976
 H                 -0.02699621   -1.05278273   -4.72167375
 C                  0.63632028   -0.78511362   -2.69597268
 C                  1.26199908   -2.17196185   -2.56956290
 C                  0.22597408   -3.24480522   -2.96582663
 O                  0.16753842   -3.68868532   -4.09544253
 O                 -0.61089326   -3.62278289   -2.01682348
 H                 -0.43536050   -3.18966311   -1.10105092
 C                 -0.32510347   -4.86855009    1.11783742
 H                  0.10155234   -5.44689936    1.94926692
 H                  0.06697094   -5.22013030    0.15231046
 H                 -1.41656197   -5.02781713    1.10411643
 C                 -0.07118257   -3.37209303    1.30898765
 O                 -0.15610281   -2.61966015    0.29415611
 O                  0.15724152   -2.96436210    2.47689502
 C                  1.59766464   -2.37983471   -1.09138243
 H                  0.83940771   -1.92809978   -0.48650064
 H                  2.54330193   -1.92903489   -0.87355307
 H                  1.64503044   -3.42774438   -0.88033318
 H                  2.15198744   -2.26893283   -3.15558112
