81

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 C                 -4.75094100    2.41160400   -2.97619900
 C                 -5.19854000    3.43207700   -2.17040200
 C                 -4.28416200    4.17824600   -1.37513200
 C                 -2.88183800    3.85595200   -1.41332200
 C                 -1.99960800    4.62218300   -0.59405600
 C                 -2.47360400    5.64503500    0.20391100
 C                 -3.85302000    5.96182600    0.23218900
 C                 -4.73584000    5.24017300   -0.54211200
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 H                 -4.21330700    6.77590400    0.86687300
 H                 -1.77368600    6.21588500    0.82005200
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 H                 -5.45394000    1.83823300   -3.58612400
 H                 -3.04852500    1.28483300   -3.67860000
 C                 -0.95387200    2.41012300   -2.32054800
 H                 -0.35508300    3.32241300   -2.20789200
 C                 -0.50403700    1.72466800   -3.61607800
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 H                 -0.77286800    2.33112500   -4.49441300
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 N                 -0.59950800    1.58178500   -1.15912800
 H                 -0.99122800    0.64294200   -1.13137400
 C                  0.34479700    1.94576700   -0.25661400
 O                  1.00747900    2.97404500   -0.32736700
 C                  0.55646700    0.99876100    0.90632300
 C                 -0.47077800    0.23369700    1.47401000
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 C                  1.83944900    0.96244100    1.47174300
 H                  2.63526700    1.58212800    1.05922300
 C                  2.08482200    0.11999800    2.55255300
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 O                  3.67655400   -0.85389300    3.91346200
 O                  4.28537900    0.81418800    2.67393100
 C                  1.08753300   -0.65880700    3.13470400
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 C                 -0.18636300   -0.56659800    2.58434600
 N                 -1.27684300   -1.34900100    3.20910700
 O                 -2.40002400   -1.20465600    2.75037600
 O                 -0.98756800   -2.08023600    4.13790000
 C                  4.31474400   -0.68034100   -1.76083900
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 C                  1.21481100   -3.33845500   -0.61466200
 H                  0.42178000   -4.02939000   -0.31671200
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 H                  4.63398700   -2.73771600    1.54573200
 O                  6.70002800   -1.05201400    0.92745500
 C                  6.87258700   -1.64413300    2.20118500
 H                  6.07908400   -1.33115000    2.90055100
 H                  6.89266400   -2.74738900    2.13742500
 H                  7.84322000   -1.29293700    2.57615500
 H                  6.24526300    0.13242800   -1.24500400
 H                  4.22370500   -0.10021500   -2.68342000
 C                  3.25697100   -1.56439600   -1.39313100
 C                  2.08002600   -1.71075600   -2.17533600
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 C                  1.06397400   -2.57702700   -1.80854500
 C                 -0.17341800   -2.74915000   -2.68941800
 C                 -1.42927200   -2.56377100   -1.84788000
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 O                 -1.79680400   -1.30722300   -1.67375600
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 C                 -4.36753000   -2.03424600    0.50248600
 O                 -4.06714400   -3.30101300    0.33905900
 H                 -3.31774300   -3.40471300   -0.32126400
 C                 -5.41816300   -1.77873700    1.54361700
 H                 -5.86662300   -0.78948600    1.39028700
 H                 -4.91799200   -1.79607200    2.52570700
 H                 -6.18121500   -2.56938300    1.53161900
 O                 -3.82508400   -1.12092300   -0.12240700
 C                 -0.16550864   -1.61411987   -3.71535369
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 H                 -0.03690335   -0.67891486   -3.21161538
 H                 -0.18581003   -3.69060122   -3.19776437
