80

 C                 -3.15707854    2.50753968    2.88000459
 C                 -3.16054601    1.93021995    1.62117186
 C                 -4.37080104    1.58318435    0.97154911
 C                 -5.58360289    1.79452881    1.58756882
 C                 -5.63650730    2.37680258    2.88389405
 C                 -4.41156173    2.75475687    3.54149768
 C                 -4.51561238    3.35633951    4.83197033
 C                 -5.73815319    3.56107371    5.44052071
 C                 -6.93685133    3.17287577    4.79305202
 C                 -6.87979540    2.59544452    3.54282399
 H                 -7.79915594    2.29393295    3.03049946
 H                 -7.90170891    3.33273397    5.28321657
 H                 -5.78012439    4.02202225    6.43149165
 H                 -3.60936086    3.65821995    5.35838516
 H                 -6.52102517    1.52428484    1.09197851
 H                 -4.32180603    1.15166837   -0.03160105
 H                 -2.22598741    1.73910664    1.08578567
 C                 -1.83389162    2.91545282    3.53762128
 H                 -1.95406288    2.82919115    4.62533407
 C                 -1.44448215    4.36151658    3.18199459
 H                 -2.27177232    5.05334229    3.40644742
 H                 -1.19774852    4.44428536    2.11248147
 H                 -0.55906837    4.67208535    3.76099907
 N                 -0.73140974    2.01659795    3.20604031
 H                 -0.26996931    2.15647283    2.28055665
 C                 -0.31979341    1.09391520    4.09911256
 O                 -0.81990465    0.93498880    5.21211985
 C                  0.84290813    0.19278626    3.69863265
 C                  1.25034913   -0.72911570    4.67385969
 H                  0.73468916   -0.73609011    5.63336893
 C                  1.49333284    0.21357932    2.45462227
 H                  1.22972780    0.94113081    1.67633047
 C                  2.52721701   -0.70044919    2.22483477
 N                  3.19707962   -0.71584424    0.90531246
 O                  4.16200007   -1.45421354    0.76911739
 O                  2.74183693   -0.00004749    0.02937988
 C                  2.95392152   -1.62252598    3.17730043
 H                  3.76305420   -2.31996438    2.97208503
 C                  2.29382355   -1.61187922    4.40304023
 N                  2.71837696   -2.57524428    5.44302190
 O                  2.12584588   -2.55578458    6.50862966
 O                  3.63948932   -3.33053037    5.16947595
 C                  3.62435208   -1.85219109   -2.99401224
 C                  4.71769027   -2.35074060   -3.66110906
 C                  4.58633375   -2.86795057   -4.98122370
 C                  3.34953562   -2.87973351   -5.60346599
 C                  2.20046048   -2.36752199   -4.92876369
 C                  0.90917726   -2.34391894   -5.52807261
 C                 -0.18503506   -1.84262757   -4.85349035
 H                 -1.16195516   -1.79780178   -5.34018512
 H                  0.79216364   -2.72388141   -6.54845353
 H                  3.22244989   -3.27143166   -6.61458863
 O                  5.74926563   -3.32289636   -5.53425727
 C                  5.73018213   -3.82166175   -6.84721561
 H                  5.37347126   -3.06559142   -7.57253055
 H                  6.76627394   -4.09245314   -7.09990609
 H                  5.09461127   -4.72289500   -6.94071860
 H                  5.70838482   -2.36556581   -3.20205878
 H                  3.73797046   -1.45737757   -1.98132298
 C                  2.33339392   -1.84400649   -3.60154166
 C                  1.18509728   -1.33676946   -2.93238868
 H                  1.30912208   -0.93581059   -1.92250440
 C                 -0.06549199   -1.33258470   -3.52808123
 C                 -1.28343832   -0.81421059   -2.77282121
 C                 -1.96585894    0.33439662   -3.54974808
 O                 -2.53313817    0.13108362   -4.60502319
 O                 -1.90860354    1.53519195   -3.00315380
 H                 -1.45463501    1.56166123   -2.08112441
 C                  0.93742683    3.02043703   -1.51508113
 H                  1.18788182    4.06365738   -1.26814159
 H                  0.41004255    2.96840049   -2.47743313
 H                  1.88795534    2.46897103   -1.60294803
 C                  0.12646276    2.39174224   -0.38098862
 O                 -0.85381152    1.64827233   -0.68210516
 O                  0.50466460    2.63141236    0.79422865
 C                 -0.80516305   -0.26667128   -1.43796036
 H                 -1.63623585    0.14097833   -0.90126697
 H                 -0.07868016    0.50053757   -1.60681881
 H                 -0.36389291   -1.05609074   -0.86612333
 H                 -2.00080963   -1.58717510   -2.59170173
