81

 C                 -1.01391640    2.22154902   -2.62371022
 C                 -0.00404540    2.57028480   -3.50756991
 C                 -0.04763084    2.20652703   -4.87468726
 C                 -1.12422037    1.50093014   -5.36339456
 C                 -2.18544068    1.10833514   -4.50157722
 C                 -2.13197663    1.45074639   -3.10223674
 C                 -3.19048188    0.98997608   -2.26401995
 C                 -4.24501233    0.26221885   -2.77848473
 C                 -4.30919060   -0.04286214   -4.15995907
 C                 -3.29632410    0.36903000   -4.99881947
 H                 -3.32623523    0.12785440   -6.06519704
 H                 -5.15411195   -0.61332528   -4.55467944
 H                 -5.02841904   -0.08698449   -2.10134947
 H                 -3.17334344    1.16878418   -1.18939034
 H                 -1.17778815    1.22852457   -6.42112336
 H                  0.76937448    2.50153255   -5.53796140
 H                  0.84948067    3.15380724   -3.15271740
 C                 -0.91196892    2.66438958   -1.16681120
 H                 -1.86205598    2.46347121   -0.65615487
 C                 -0.62340557    4.16587842   -1.00839296
 H                  0.34572353    4.44623135   -1.44819109
 H                 -0.61313434    4.44161066    0.05536781
 H                 -1.41208867    4.75105423   -1.50486291
 N                  0.11338380    1.84888459   -0.47971784
 H                  0.69699834    1.25341063   -1.05824710
 C                  0.19281358    1.74219471    0.86119424
 O                 -0.59513809    2.28848844    1.63894091
 C                  1.32179742    0.91864586    1.42863667
 C                  2.49537159    0.63706337    0.72037798
 H                  2.67088369    0.99219583   -0.29504300
 C                  1.18181412    0.45792678    2.74734860
 H                  0.27263246    0.66911379    3.31004018
 C                  2.20853012   -0.28958946    3.31688210
 N                  2.05885305   -0.77729922    4.71095262
 O                  2.95049027   -1.48360316    5.15058186
 O                  1.06034289   -0.43662070    5.31695995
 C                  3.37498905   -0.60960378    2.62686139
 H                  4.15596301   -1.21417615    3.08415502
 C                  3.49153192   -0.12720717    1.32795645
 N                  4.69944259   -0.46624432    0.54783218
 O                  5.45386994   -1.30236733    1.01877775
 O                  4.85433186    0.09414590   -0.52379472
 C                  0.71493929   -1.48452750   -2.34137391
 C                  1.95536486   -1.62371417   -2.91590799
 C                  2.99120481   -2.34431294   -2.24732154
 C                  2.74178336   -2.91987959   -1.01088045
 C                  1.46047945   -2.78782740   -0.39781693
 C                  1.16331834   -3.35328129    0.87347959
 C                 -0.07578963   -3.18033090    1.45820852
 H                 -0.27630609   -3.62097304    2.43937872
 H                  1.93491794   -3.93118012    1.39077016
 H                  3.51611197   -3.47585646   -0.48039794
 O                  4.16580890   -2.39946736   -2.91368648
 C                  5.28476678   -3.00977360   -2.29967463
 H                  6.11265290   -2.93171484   -3.01721218
 H                  5.56842899   -2.49234815   -1.36729113
 H                  5.09930215   -4.07750787   -2.08336503
 H                  2.18431066   -1.19422001   -3.89375865
 H                 -0.07117303   -0.93572301   -2.86799793
 C                  0.42466068   -2.05159934   -1.06285523
 C                 -0.84017894   -1.89708039   -0.43598617
 H                 -1.61443554   -1.32633234   -0.95571865
 C                 -1.10374149   -2.43934954    0.81276711
 C                 -2.46970631   -2.28199265    1.47770465
 C                 -2.82071168   -0.79740473    1.62108945
 O                 -3.39247036   -0.15807726    0.75930054
 O                 -2.41841020   -0.28607061    2.77736926
 H                 -2.74883142    0.65285392    2.86615014
 C                 -3.78771932    3.08269915    2.49176628
 O                 -2.89695728    3.58416091    1.65142813
 H                 -2.05551826    3.04552982    1.65405190
 C                 -5.05467579    3.89698472    2.55842766
 H                 -4.81693225    4.94738943    2.78668850
 H                 -5.72775661    3.48208762    3.31790009
 H                 -5.54799881    3.88135494    1.57344099
 O                 -3.61151824    2.06911108    3.14732765
 C                 -2.35764361   -2.84457893    2.90687875
 H                 -3.25856713   -2.63447334    3.44455195
 H                 -2.20721818   -3.90303306    2.86275349
 H                 -1.52928378   -2.38711807    3.40632800
 H                 -3.24114182   -2.80173380    0.94887918
