81

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 C                  0.71702100    2.21131900   -2.60616300
 C                  1.95717000    2.45104100   -3.24931900
 C                  2.77780300    1.39848200   -3.58141000
 C                  2.38646800    0.06053800   -3.29401400
 C                  1.12267300   -0.18689900   -2.65263600
 C                  3.22094300   -1.03870300   -3.64327200
 C                  2.83519000   -2.33623500   -3.38364600
 C                  1.58499700   -2.58672700   -2.76787500
 C                  0.75253900   -1.54355200   -2.41344000
 C                 -1.05434900    0.69506000   -1.60448800
 N                 -0.85021400    0.25657100   -0.20823600
 C                 -1.42629200   -0.84121000    0.31009400
 C                 -1.28225300   -1.07673400    1.79963000
 O                 -2.06757600   -1.67248600   -0.34099000
 C                 -1.46476600   -2.39156000    2.25488400
 C                 -1.41045900   -2.65921500    3.62044200
 C                 -1.20688400   -1.66082900    4.56874300
 C                 -1.04123200   -0.36347000    4.09009300
 C                 -1.07323500   -0.05041400    2.72869400
 N                 -1.58698400   -4.05616700    4.09184900
 O                 -1.55297200   -4.24367300    5.29588900
 O                 -1.75085300   -4.91396100    3.24419700
 N                 -0.83382800    0.72086400    5.07089400
 O                 -0.90616800    0.44553200    6.24960000
 O                 -0.60402700    1.84694900    4.63302600
 H                  2.25500900    3.47822100   -3.47492800
 H                  3.73805600    1.57299700   -4.07485700
 H                  4.17857400   -0.83244200   -4.13009800
 H                  3.48542800   -3.17089800   -3.65894100
 H                  1.27080700   -3.61647100   -2.57724900
 H                 -0.21021700   -1.77399300   -1.95799100
 H                 -1.56964100   -0.12633400   -2.11852900
 H                 -0.24983000    0.84338000    0.37499700
 H                 -1.65940900   -3.19188400    1.54150700
 H                 -1.18267800   -1.88724800    5.63309900
 H                 -0.92812100    0.98421500    2.42066900
 H                  0.09117300    3.06940100   -2.35696800
 C                  1.56280500    7.03507600   -0.47790700
 C                  1.72624800    8.36672100   -0.76948200
 C                  2.55217300    6.31116400    0.25195600
 C                  3.72760100    7.01220100    0.67767100
 C                  3.88024600    8.39395000    0.36467400
 C                  2.89745200    9.06251700   -0.34580500
 C                  2.40866700    4.93377200    0.56598600
 C                  3.37675300    4.24834700    1.28210300
 C                  4.53635700    4.95311700    1.70504900
 C                  4.70900600    6.28955100    1.41037300
 C                  3.25155000    2.75367200    1.57953800
 C                  1.87686500    2.45073300    2.15819800
 O                  1.81016600    2.70044400    3.46069600
 O                  0.92780700    2.03677500    1.51259100
 O                  2.93993900   10.37209600   -0.69322500
 C                  4.05420900   11.14792400   -0.31250400
 H                  0.65967500    6.51264200   -0.80624400
 H                  0.97381100    8.92909000   -1.32663100
 H                  4.78481500    8.90298900    0.69942700
 H                  1.50620200    4.41469400    0.22974500
 H                  5.30387500    4.42164300    2.27525900
 H                  5.61065100    6.81043000    1.74533200
 H                  0.90618000    2.50858700    3.79421200
 H                  4.99228100   10.76107000   -0.75093700
 H                  3.87459500   12.16303800   -0.69193400
 H                  4.16798200   11.19008900    0.78620300
 C                 -2.02253300    1.88289700   -1.62775700
 H                 -2.20425400    2.21022400   -2.66189100
 H                 -1.65205500    2.74007200   -1.04217700
 H                 -2.98813400    1.57102800   -1.20237900
 C                 -3.40072000   -2.09943200   -3.54312900
 C                 -4.04645300   -2.84924500   -4.68492200
 H                 -4.26556100   -2.15898700   -5.50837000
 H                 -4.96964200   -3.34027600   -4.33984300
 H                 -3.36852600   -3.64518800   -5.03282600
 O                 -3.11530700   -0.92033700   -3.57836400
 O                 -3.16993500   -2.88518300   -2.49197900
 H                 -2.76879900   -2.35533200   -1.75867100
 C                  4.25751197    2.43148553    2.70017907
 H                  4.07020929    1.44710909    3.07543996
 H                  5.25299718    2.48142039    2.31105737
 H                  4.14827672    3.14207039    3.49266680
 H                  3.46188781    2.14538663    0.72475913
