82

 C                  3.23909900    0.29442100   -1.83824700
 C                  3.77410000    1.52427300   -1.49634200
 C                  4.76224700    1.65768000   -0.48885200
 C                  5.22061500    0.54680500    0.18145100
 C                  4.71077200   -0.74490800   -0.13088800
 C                  3.70627300   -0.88327500   -1.15223200
 C                  5.18493800   -1.90409100    0.54669200
 C                  4.69695200   -3.15646800    0.24081200
 C                  3.70903000   -3.29867600   -0.76372400
 C                  3.22694400   -2.19554700   -1.44034100
 C                  2.15803100    0.17812000   -2.91398900
 N                  0.83702100    0.01677100   -2.27860500
 C                 -0.00875100   -0.99609400   -2.53141200
 C                 -1.36404000   -0.94204300   -1.85815300
 O                  0.25044600   -1.96588800   -3.25143200
 C                 -2.07887800   -2.14500000   -1.76252700
 C                 -3.33212700   -2.15066800   -1.15438400
 C                 -3.91859500   -0.99630200   -0.64076700
 C                 -3.19709000    0.18652100   -0.77228800
 C                 -1.93856300    0.23927800   -1.37244500
 N                 -4.07430600   -3.43111100   -1.04451400
 O                 -5.18093100   -3.38981400   -0.53338800
 O                 -3.52789200   -4.43229600   -1.46980300
 N                 -3.78111300    1.43608700   -0.24089100
 O                 -4.76967900    1.34274100    0.46349100
 O                 -3.22491100    2.48460900   -0.53516400
 H                  5.16156900    2.64832100   -0.25484500
 H                  5.98679800    0.63923800    0.95665000
 H                  5.95171000   -1.78105100    1.31709800
 H                  5.07205800   -4.03873900    0.76628900
 H                  3.32541300   -4.29207000   -1.01079300
 H                  2.46834200   -2.34392900   -2.20865900
 H                  2.33763100   -0.72738700   -3.50551700
 H                  0.55811100    0.76556700   -1.64560000
 H                 -1.65251700   -3.06382400   -2.16360100
 H                 -4.89573700   -1.02055500   -0.16168100
 H                 -1.43672500    1.20378900   -1.44299200
 H                  3.43539900    2.42365600   -2.01250300
 C                 -0.12822800   -0.14535500    3.03564000
 C                 -1.32815600    0.57668400    2.93685000
 C                 -1.37704200    1.83190700    2.32219500
 C                 -0.22140000    2.41406100    1.78022200
 C                  0.97992800    1.69461200    1.87734200
 C                  1.02553200    0.44100700    2.49055400
 C                 -0.09142000   -1.50108500    3.70771000
 C                 -0.63305000   -2.67603500    2.85600800
 C                 -0.74956000   -3.94533900    3.70909300
 C                  0.21669800   -2.92781100    1.60586600
 C                 -0.22781900    3.79099500    1.12820300
 C                 -0.04381400    3.71342600   -0.38664900
 O                  0.17186900    2.71421000   -1.04250500
 O                 -0.10305400    4.92246400   -0.96164400
 H                 -2.24545100    0.15903500    3.36376100
 H                 -2.33140000    2.36037200    2.28397800
 H                  1.90201700    2.12002900    1.47058800
 H                  1.98101500   -0.08725900    2.55472500
 H                 -0.68284300   -1.45154800    4.63841500
 H                  0.94478300   -1.73342300    4.01024700
 H                 -1.65170300   -2.39670300    2.52550800
 H                 -1.16520100   -4.78278600    3.12537300
 H                 -1.40236000   -3.78921700    4.58374500
 H                  0.23988300   -4.26119200    4.08367800
 H                  1.24374400   -3.22819200    1.87741000
 H                  0.29465200   -2.03008800    0.97332000
 H                 -0.21185900   -3.73696600    0.99195900
 H                  0.02618700    4.79704100   -1.91799000
 C                  2.10590800    1.33902800   -3.91348000
 H                  3.09170100    1.49342600   -4.37657800
 H                  1.77688700    2.27731600   -3.44014800
 H                  1.39410000    1.09271800   -4.71539100
 O                  1.57948100   -3.45459300   -5.06708900
 C                  2.59298700   -2.85675400   -5.69053300
 C                  3.24892100   -3.76173200   -6.70765800
 H                  2.50608700   -4.08731600   -7.45280000
 H                  3.62440600   -4.66959800   -6.20920400
 H                  4.07404300   -3.23408500   -7.20073700
 O                  2.94936800   -1.71856500   -5.46309100
 C                 -1.42848600    4.68436400    1.49447900
 H                 -1.28696700    5.69845100    1.09712500
 H                 -1.52666500    4.75013900    2.58800300
 H                 -2.36612700    4.28471900    1.08100500
 H                  0.68463200    4.31884500    1.46673000
