80

 C                  1.06064808   -4.28381252   -0.41643855
 C                 -0.03341429   -4.90152326    0.16486828
 C                 -1.10208302   -5.41338233   -0.61011183
 C                 -1.07144720   -5.31858801   -1.98248665
 C                  0.02061003   -4.68197306   -2.63479981
 C                  1.09715593   -4.13615063   -1.84906270
 C                  2.15038195   -3.46184379   -2.53886329
 C                  2.15202240   -3.36161368   -3.91675004
 C                  1.10492825   -3.92514259   -4.68624492
 C                  0.06159629   -4.56610663   -4.05334974
 H                 -0.76183297   -4.99288811   -4.63435904
 H                  1.12101677   -3.84171113   -5.77687097
 H                  2.96974698   -2.83396150   -4.41607720
 H                  2.95360379   -2.98501748   -1.97330631
 H                 -1.88893606   -5.71843561   -2.58985166
 H                 -1.95108059   -5.88456507   -0.10727963
 H                 -0.08700145   -4.98532806    1.25111521
 C                  2.20556829   -3.75652330    0.45522323
 H                  3.12931004   -3.78727223   -0.13528249
 C                  2.43750466   -4.56584183    1.74109481
 H                  2.51754605   -5.64316096    1.52460047
 H                  1.62758835   -4.39602154    2.46567868
 H                  3.37642880   -4.23592271    2.21357489
 N                  1.99871251   -2.34960400    0.80776322
 H                  1.21191645   -2.17956309    1.47845744
 C                  2.83827417   -1.38219256    0.39937515
 O                  3.78092168   -1.55224950   -0.37954260
 C                  2.58354046    0.01510721    0.94013677
 C                  1.78949846    0.29627027    2.06362666
 H                  1.26940827   -0.49594836    2.61129681
 C                  3.24337940    1.06014528    0.27979622
 H                  3.87753041    0.83097146   -0.57567080
 C                  3.08997674    2.36832808    0.73345791
 N                  3.79431350    3.46441570    0.03326279
 O                  3.67050936    4.59303518    0.48368302
 O                  4.46093356    3.17419994   -0.94618217
 C                  2.30423578    2.68163259    1.83923099
 H                  2.19134546    3.70628446    2.18561998
 C                  1.67239044    1.62351111    2.48658204
 N                  0.85508376    1.93564768    3.68196931
 O                  0.35025122    1.00424520    4.28412792
 O                  0.74635547    3.11172542    3.99667982
 C                 -0.70139754    0.95575181   -2.20200350
 C                 -0.46315571    1.28390040   -3.52285366
 C                 -1.02937897    2.46736713   -4.07270133
 C                 -1.82374096    3.28465954   -3.28372521
 C                 -2.08102298    2.96323321   -1.92697876
 C                 -2.89684386    3.77092616   -1.08311084
 C                 -3.11831347    3.42696265    0.23325996
 H                 -3.75782937    4.06049504    0.85124596
 H                 -3.35183537    4.67541949   -1.49859056
 H                 -2.25097474    4.18730215   -3.72785217
 O                 -0.83774926    2.86134850   -5.36810033
 C                 -0.02305029    2.08562382   -6.21069386
 H                 -0.00503766    2.59416380   -7.18578908
 H                  1.01438007    2.00684701   -5.83464624
 H                 -0.42039799    1.06284234   -6.35409922
 H                  0.15759668    0.62551473   -4.13124194
 H                 -0.26758248    0.04210582   -1.78601218
 C                 -1.50442201    1.77464874   -1.36409963
 C                 -1.74758957    1.45204060    0.00023414
 H                 -1.31974408    0.53404646    0.41419065
 C                 -2.53199232    2.25981577    0.80708643
 C                 -2.79502531    1.87242251    2.26118749
 C                 -4.10530832    1.05008481    2.32643035
 O                 -5.18426163    1.57775720    2.49183613
 O                 -3.97616037   -0.25758725    2.16435458
 H                 -3.00664285   -0.57112712    2.09074856
 C                 -1.88134595   -2.28421052    4.06680337
 H                 -1.68660773   -3.33132854    4.34248599
 H                 -2.95467590   -2.12158508    3.89429629
 H                 -1.56856567   -1.65512426    4.91758165
 C                 -1.03823811   -1.88597538    2.85277992
 O                  0.12597660   -2.36066519    2.78410620
 O                 -1.53415877   -1.07667911    2.01995839
 C                 -1.66940081    0.94259076    2.68401417
 H                 -1.19476489    0.53862750    1.81428179
 H                 -2.06860863    0.14516851    3.27532700
 H                 -0.95244833    1.48942352    3.26008108
 H                 -2.84110213    2.70052384    2.93722382
