80

 C                  3.99714780   -1.24568856    0.09957986
 C                  3.57737512    0.07258595    0.03207165
 C                  4.28690813    1.10877848    0.68912815
 C                  5.42056875    0.82999678    1.41858712
 C                  5.89503357   -0.50714136    1.52155277
 C                  5.17972281   -1.56470793    0.85499187
 C                  5.68870085   -2.89175577    0.98763411
 C                  6.82660724   -3.16152391    1.72144402
 C                  7.52618386   -2.11562883    2.37179116
 C                  7.06411312   -0.82046199    2.27179694
 H                  7.59339110   -0.00400763    2.77284833
 H                  8.42614162   -2.33826325    2.95221716
 H                  7.18732045   -4.19078286    1.80476334
 H                  5.16669467   -3.71871680    0.50425904
 H                  5.97163172    1.62712459    1.92679761
 H                  3.91876488    2.13477473    0.60208739
 H                  2.68400215    0.34298332   -0.53689936
 C                  3.24044395   -2.34514755   -0.65498663
 H                  3.24804506   -3.25003870   -0.03154662
 C                  3.89461614   -2.64940190   -2.01595212
 H                  4.96935026   -2.85844155   -1.90037957
 H                  3.77071707   -1.79285661   -2.69541563
 H                  3.41308311   -3.52484143   -2.48089012
 N                  1.83437141   -2.02370361   -0.85803558
 H                  1.62356892   -1.34977833   -1.62793814
 C                  0.88344232   -2.55109012   -0.05930720
 O                  1.10635959   -3.33399620    0.86288643
 C                 -0.55186959   -2.11860213   -0.32057239
 C                 -0.98601693   -1.42945116   -1.46328458
 H                 -0.29637995   -1.14965334   -2.26572191
 C                 -1.47694926   -2.44444181    0.68130023
 H                 -1.13083879   -2.98158239    1.56337621
 C                 -2.81056787   -2.06645985    0.54034597
 N                 -3.76581582   -2.36859601    1.62419321
 O                 -4.92654844   -2.01333162    1.47557067
 O                 -3.34245725   -2.94928385    2.61125174
 C                 -3.27267796   -1.38204378   -0.58124656
 H                 -4.31211534   -1.07888200   -0.67685425
 C                 -2.33723615   -1.08357509   -1.56733306
 N                 -2.80336212   -0.34371631   -2.76046957
 O                 -1.97208884   -0.03016948   -3.59631352
 O                 -3.99675091   -0.09006086   -2.83856974
 C                 -0.76966132    1.06514195    2.34877323
 C                 -1.21750534    0.47389114    3.50502679
 C                 -2.61549487    0.38071905    3.77459703
 C                 -3.52981019    0.92140670    2.88711175
 C                 -3.08367964    1.55093950    1.68683180
 C                 -3.98047050    2.10416859    0.73446627
 C                 -3.52210297    2.64788853   -0.45120575
 H                 -4.24698254    3.05015433   -1.15990788
 H                 -5.05430505    2.08282514    0.94454725
 H                 -4.60309890    0.86057473    3.07160264
 O                 -2.93742237   -0.26589009    4.92704550
 C                 -4.28430995   -0.61558772    5.15313772
 H                 -4.30496027   -1.19384526    6.08795100
 H                 -4.92984386    0.27500292    5.27416978
 H                 -4.68117466   -1.24134205    4.33415757
 H                 -0.52730742    0.03904300    4.23126054
 H                  0.30206719    1.10974224    2.13634309
 C                 -1.68224899    1.60847947    1.39401739
 C                 -1.24567863    2.16026950    0.16260035
 H                 -0.17813017    2.13930552   -0.06446026
 C                 -2.13756546    2.66810057   -0.77426855
 C                 -1.61924395    3.17503271   -2.12536106
 C                 -0.64366446    4.35699290   -1.91387150
 O                 -1.03748710    5.50005257   -1.83484437
 O                  0.64308605    4.04912349   -1.82291692
 H                  0.85059458    3.05612328   -1.93837031
 C                  1.35307916    1.56657709   -4.39933044
 H                  2.04727997    1.08648056   -5.10454830
 H                  1.57702698    2.63930263   -4.30704175
 H                  0.33518271    1.45488871   -4.81072422
 C                  1.39507957    0.85434107   -3.04591203
 O                  1.20884186    1.54466398   -1.99963917
 O                  1.57179885   -0.38914192   -3.05764587
 C                 -0.82374363    2.03587862   -2.71663697
 H                 -0.46701793    2.31532805   -3.68594332
 H                 -1.44830406    1.17127947   -2.80203361
 H                  0.00779013    1.81381335   -2.08091799
 H                 -2.38189070    3.45514872   -2.82164042
