80

 C                  2.45576117    0.16974092   -4.10413014
 C                  2.62316541   -0.78166544   -3.10843789
 C                  2.63840009   -2.16503851   -3.40651582
 C                  2.49467600   -2.60314674   -4.70484125
 C                  2.28915181   -1.67154555   -5.75833545
 C                  2.24115952   -0.26126430   -5.46009071
 C                  1.95881638    0.63274299   -6.53801800
 C                  1.78357987    0.17309321   -7.82736697
 C                  1.87473665   -1.21054255   -8.12046472
 C                  2.11292498   -2.10859242   -7.10307651
 H                  2.16244070   -3.18210068   -7.31075307
 H                  1.73748070   -1.56213074   -9.14720281
 H                  1.55482421    0.88327057   -8.62722436
 H                  1.82000666    1.69372370   -6.33013776
 H                  2.52562629   -3.67101572   -4.94247760
 H                  2.77883256   -2.88173838   -2.59250144
 H                  2.74054944   -0.47308174   -2.06342147
 C                  2.52508340    1.65554976   -3.72279384
 H                  2.45446098    2.25860716   -4.63405674
 C                  3.84449003    2.00690619   -3.02057731
 H                  3.88234814    3.08628939   -2.80252092
 H                  4.69719263    1.74792461   -3.66792143
 H                  3.95350445    1.46411219   -2.07041011
 N                  1.39098462    2.05309762   -2.88509256
 H                  1.51703108    1.94965552   -1.85285463
 C                  0.27903850    2.56605972   -3.44302818
 O                  0.14962664    2.79973224   -4.64631459
 C                 -0.90505728    2.84117450   -2.52314154
 C                 -2.03228718    3.40790738   -3.13496453
 H                 -1.98860015    3.65014691   -4.19659073
 C                 -0.95515368    2.51254378   -1.15912081
 H                 -0.08417796    2.11317657   -0.62641277
 C                 -2.14198772    2.73832539   -0.45599318
 N                 -2.22241702    2.33282156    0.96527555
 O                 -1.27308185    1.72723026    1.43537019
 O                 -3.23989482    2.61554783    1.57903905
 C                 -3.27372361    3.30380858   -1.03702963
 H                 -4.18469029    3.47101344   -0.46689910
 C                 -3.18487344    3.63842895   -2.38589921
 N                 -4.36535586    4.24545747   -3.03959725
 O                 -4.26813013    4.54661210   -4.21757028
 O                 -5.36547623    4.41013737   -2.35747508
 C                 -2.26430938   -0.34711511    4.19049686
 C                 -3.14314105   -0.29890119    5.24693641
 C                 -3.14869825   -1.32860353    6.23064293
 C                 -2.26210140   -2.38642651    6.13358125
 C                 -1.34183334   -2.45600757    5.04656875
 C                 -0.40669829   -3.51933468    4.90945295
 C                  0.46983303   -3.57034879    3.84642380
 H                  1.20389091   -4.37459807    3.77181865
 H                 -0.38660129   -4.30629673    5.67066040
 H                 -2.24299255   -3.18473834    6.87735126
 O                 -4.06873091   -1.17018665    7.22668012
 C                 -4.14248249   -2.14061297    8.23950438
 H                 -3.19492684   -2.22369413    8.80531706
 H                 -4.93902610   -1.82252594    8.92762747
 H                 -4.39644745   -3.14075075    7.83902523
 H                 -3.85357662    0.52313057    5.36102962
 H                 -2.26218482    0.45305476    3.44546232
 C                 -1.34058132   -1.42625466    4.05101547
 C                 -0.42787038   -1.51119346    2.96270353
 H                 -0.45017752   -0.71898170    2.20837470
 C                  0.46932851   -2.56026846    2.84064275
 C                  1.39802100   -2.65333276    1.63617188
 C                  2.87796113   -2.79000424    2.06223061
 O                  3.26743086   -3.75974475    2.68323267
 O                  3.69513602   -1.81793055    1.70252088
 H                  3.27368193   -1.09334058    1.10662147
 C                  2.41831967    1.42057826    2.06871176
 H                  1.39806384    1.42029329    2.48646155
 H                  2.82270826    2.43448849    2.21083714
 H                  3.02791530    0.68611523    2.61260644
 C                  2.33069210    1.10971589    0.57330196
 O                  1.85004867    2.00453066   -0.16471488
 O                  2.72368687   -0.02513794    0.16734658
 C                  1.25046932   -1.36516621    0.82391856
 H                  1.92355866   -1.38870829   -0.00752386
 H                  1.47939211   -0.52405764    1.44442700
 H                  0.24526774   -1.28185812    0.46680577
 H                  1.14333706   -3.47995879    1.00631040
