80

 C                  3.42669136   -0.11609271   -0.31790579
 C                  2.48040989   -1.04821771   -0.70462552
 C                  2.46143826   -1.58838855   -2.01502600
 C                  3.39403189   -1.19300772   -2.94639421
 C                  4.38444884   -0.22968308   -2.60493538
 C                  4.40722989    0.32349714   -1.27522791
 C                  5.41062323    1.29490403   -0.98118542
 C                  6.33504968    1.69189605   -1.92724608
 C                  6.31090227    1.13803449   -3.23043689
 C                  5.35276782    0.20102478   -3.55554249
 H                  5.31894183   -0.22931148   -4.56116757
 H                  7.04650938    1.45718523   -3.97438992
 H                  7.08742059    2.44293525   -1.66969296
 H                  5.44846277    1.74434477    0.01208185
 H                  3.38642457   -1.60623103   -3.95949230
 H                  1.69326074   -2.32513907   -2.26458058
 H                  1.72034035   -1.38975790    0.00247017
 C                  3.46441437    0.40412631    1.12365541
 H                  3.69582288    1.47868010    1.08550494
 C                  4.53103415   -0.32923670    1.95882861
 H                  4.23747032   -1.37942940    2.10939977
 H                  4.63118775    0.14204135    2.95022224
 H                  5.51006523   -0.30759675    1.45709015
 N                  2.18453694    0.30191774    1.81782442
 H                  1.94510418   -0.63095434    2.22514141
 C                  1.33908418    1.34899147    1.85972478
 O                  1.54297323    2.42535922    1.29476304
 C                  0.06247212    1.18919375    2.67640147
 C                 -0.27292542    0.05593777    3.43558601
 H                  0.37817551   -0.82371186    3.48236376
 C                 -0.80119700    2.29382303    2.67055639
 H                 -0.52648823    3.17343609    2.08894312
 C                 -1.98167556    2.25424919    3.40947806
 N                 -2.87913968    3.43048560    3.40800836
 O                 -3.90770612    3.35583500    4.06285689
 O                 -2.53553767    4.40387393    2.75840585
 C                 -2.34689844    1.14264367    4.16356785
 H                 -3.27178669    1.12169968    4.73494023
 C                 -1.47136092    0.06034605    4.15554562
 N                 -1.83861119   -1.13082238    4.95821999
 O                 -2.87066219   -1.07060346    5.61198554
 O                 -1.09317572   -2.09263463    4.92193979
 C                 -0.65087547    1.99686856   -1.72270945
 C                 -0.58041669    3.05163429   -2.60170513
 C                 -1.30549120    3.02208267   -3.82699002
 C                 -2.08250841    1.92275289   -4.14775911
 C                 -2.16966799    0.81740303   -3.25085879
 C                 -2.94411944   -0.33922605   -3.54591692
 C                 -3.02206206   -1.39260708   -2.65948121
 H                 -3.59465283   -2.28605487   -2.91809989
 H                 -3.47852068   -0.38668942   -4.50023222
 H                 -2.63941088    1.87230909   -5.08456598
 O                 -1.15892740    4.12921528   -4.61174817
 C                 -1.83479943    4.17994977   -5.84149128
 H                 -1.52204105    3.36471576   -6.52137019
 H                 -2.93268513    4.12341137   -5.71442940
 H                 -1.58112721    5.14465814   -6.30453068
 H                  0.03323747    3.92925190   -2.38707919
 H                 -0.07540785    2.03455005   -0.79351422
 C                 -1.45193967    0.85114970   -2.01092768
 C                 -1.55977964   -0.24907775   -1.11531012
 H                 -1.00126167   -0.21974309   -0.17576990
 C                 -2.33935282   -1.35594455   -1.40953249
 C                 -2.47007011   -2.51171423   -0.42304153
 C                 -1.87256349   -3.79287085   -1.04598921
 O                 -2.49480852   -4.46147618   -1.84584088
 O                 -0.63846426   -4.09997883   -0.67991767
 H                 -0.27135484   -3.49809253    0.06081291
 C                  0.83157796   -4.43972651    2.61148176
 H                  0.02066957   -4.47754767    3.35881047
 H                  1.75133195   -4.79424488    3.09840040
 H                  0.55780283   -5.09477290    1.77158832
 C                  0.98935786   -2.98724847    2.16609963
 O                  1.74175816   -2.24398723    2.84332484
 O                  0.31795449   -2.59298773    1.16362015
 C                 -1.64289869   -2.15875298    0.81474108
 H                 -1.42878367   -3.05005229    1.36668337
 H                 -2.19545095   -1.48127469    1.43167638
 H                 -0.72598204   -1.69809018    0.51150251
 H                 -3.48406616   -2.68594918   -0.12918068
