81

 C                  1.67320500    0.87659200   -1.44816800
 C                  2.77873000    1.69750200   -1.30586300
 C                  4.08935900    1.24565300   -1.60141500
 C                  4.29362900   -0.04320500   -2.03757800
 C                  3.19450200   -0.93168800   -2.20376500
 C                  1.86128700   -0.47422600   -1.91290400
 C                  3.39291800   -2.26369900   -2.66475200
 C                  2.32846800   -3.12171800   -2.83804600
 C                  1.01380800   -2.67498000   -2.56135100
 C                  0.78493500   -1.38909600   -2.11285300
 C                  0.26708100    1.38745200   -1.12974100
 N                 -0.22847900    0.80435600    0.12838800
 C                 -1.42333600    0.18609500    0.21430600
 C                 -1.88734100   -0.24827200    1.58688700
 O                 -2.13129400   -0.02847500   -0.77311000
 C                 -2.79982600   -1.31604200    1.67927600
 C                 -3.26381400   -1.68973500    2.94175300
 C                 -2.88903800   -1.03429000    4.11069300
 C                 -1.98934900    0.02019000    3.98223900
 C                 -1.48096100    0.42422600    2.74682400
 N                 -4.19720000   -2.83921700    3.06962900
 O                 -4.78318000   -2.95752400    4.13440400
 O                 -4.30033600   -3.58201600    2.11464000
 N                 -1.56443900    0.73204200    5.20226500
 O                 -2.00929400    0.36108200    6.26720900
 O                 -0.78272400    1.67375400    5.06935600
 H                  4.93308900    1.93120400   -1.48503300
 H                  5.30061900   -0.40063200   -2.27149800
 H                  4.41257000   -2.59428100   -2.88281500
 H                  2.49394600   -4.14260900   -3.19237800
 H                  0.16918900   -3.35382600   -2.70611700
 H                 -0.24255900   -1.07960700   -1.91804200
 H                 -0.41674700    1.01820400   -1.90514900
 H                  0.35154200    0.95408800    0.95557600
 H                 -3.16245600   -1.83445300    0.78315200
 H                 -3.28615800   -1.33676200    5.07757100
 H                 -0.77096200    1.25036000    2.71354800
 H                  2.65200100    2.72573200   -0.96364800
 C                  4.98704800   -1.94341600    5.96084800
 C                  5.57104600   -3.17348000    6.13462400
 C                  4.96781400   -1.30824700    4.68276800
 C                  5.57535500   -1.99022600    3.57793400
 C                  6.17813400   -3.26589900    3.77835200
 C                  6.17742700   -3.84972300    5.03391100
 C                  4.37084400   -0.03680800    4.47693400
 C                  4.35995900    0.56595600    3.22804600
 C                  4.95634800   -0.12183900    2.13605100
 C                  5.54713700   -1.35721000    2.30539300
 C                  3.74438000    1.94885200    3.00081200
 C                  2.25175700    1.90108100    3.29883600
 O                  1.95745600    2.05674200    4.58514800
 O                  1.40046500    1.72040900    2.44479800
 O                  6.72018800   -5.05481800    5.33452600
 C                  7.35089100   -5.79820700    4.31556800
 H                  4.52637500   -1.43345200    6.81187400
 H                  5.59044500   -3.66732100    7.10848600
 H                  6.63326300   -3.76301100    2.92100800
 H                  3.90569400    0.46207900    5.33161000
 H                  4.93945300    0.33579300    1.14322800
 H                  5.99889000   -1.86614400    1.44915500
 H                  0.98798300    1.96123100    4.72182200
 H                  8.20789600   -5.25198500    3.88072500
 H                  7.71663600   -6.72315700    4.78201700
 H                  6.64780300   -6.05929700    3.50351600
 C                  0.12354300    2.91374700   -1.07839700
 H                  0.48688700    3.37531500   -2.00921000
 H                  0.67605200    3.34826500   -0.23094100
 H                 -0.93822200    3.17673400   -0.95731900
 C                 -4.53554600   -2.10783100   -2.02592200
 O                 -4.33997700   -2.55324000   -0.91443100
 O                 -3.92506000   -1.02587500   -2.50660900
 H                 -3.31156500   -0.66964600   -1.81769300
 C                 -5.49170600   -2.71745100   -3.02414900
 H                 -6.21397000   -1.95925200   -3.36458200
 H                 -6.01552800   -3.56619000   -2.56839100
 H                 -4.93367300   -3.05370500   -3.91293200
 H                  4.24909812    2.72483707    3.53747464
 C                  3.82421289    2.24180697    1.49104245
 H                  3.32064782    3.16181415    1.27912498
 H                  4.84992659    2.32062968    1.19676642
 H                  3.35753251    1.44652360    0.94824066
