81

 C                  0.30830300    1.16557400   -2.33926200
 C                  0.97465600    2.33690700   -2.65611100
 C                  2.23540900    2.32918100   -3.30451100
 C                  2.83519100    1.13554000   -3.63247300
 C                  2.19597500   -0.10104100   -3.33404400
 C                  0.91078400   -0.09750100   -2.68636500
 C                  2.80479600   -1.34302300   -3.67125000
 C                  2.18425200   -2.54091600   -3.38577000
 C                  0.91591000   -2.54486100   -2.75644400
 C                  0.29527200   -1.35681900   -2.42325100
 C                 -1.05131800    1.19356500   -1.63984900
 N                 -0.93837000    0.66236400   -0.27007600
 C                 -1.74627400   -0.31244000    0.18459000
 C                 -1.53267500   -0.77518700    1.60571000
 O                 -2.63047700   -0.83028100   -0.50508200
 C                 -1.65348900   -2.14680400    1.88354800
 C                 -1.53899800   -2.57915500    3.20418800
 C                 -1.31481900   -1.70547000    4.26491900
 C                 -1.18603800   -0.35448000    3.95319200
 C                 -1.29033400    0.12787200    2.64660800
 N                 -1.67161200   -4.02739700    3.50738200
 O                 -1.48127700   -4.37213000    4.66160600
 O                 -1.96611200   -4.76525800    2.58616300
 N                 -0.92728700    0.59720700    5.04946700
 O                 -1.04640100    0.20203900    6.18980700
 O                 -0.60440200    1.74449600    4.74219500
 H                  2.72526500    3.27850800   -3.53583800
 H                  3.80959900    1.11947800   -4.12898700
 H                  3.78133500   -1.32836900   -4.16401500
 H                  2.66613800   -3.48679500   -3.64738000
 H                  0.41241600   -3.48581300   -2.52104500
 H                 -0.68624800   -1.41052600   -1.95440300
 H                 -1.71950500    0.49227200   -2.15900700
 H                 -0.19744300    1.03971900    0.32603300
 H                 -1.80407600   -2.86851100    1.07591200
 H                 -1.23906300   -2.06876700    5.28815900
 H                 -1.17405000    1.19372400    2.45867100
 H                  0.53069900    3.30186600   -2.40783600
 C                  1.57725400    6.85791400   -0.48497700
 C                  1.70953500    8.18979500   -0.79046700
 C                  2.55922100    6.17688100    0.29440900
 C                  3.69375200    6.92117900    0.75586700
 C                  3.81427400    8.30274100    0.42823200
 C                  2.83997500    8.92904000   -0.33088100
 C                  2.44662300    4.80043800    0.62327600
 C                  3.40598700    4.15565700    1.38742900
 C                  4.52518000    4.90276000    1.84507000
 C                  4.66728900    6.24007400    1.53727100
 C                  3.31027000    2.66255500    1.70520500
 C                  1.93029500    2.34438500    2.26259200
 O                  1.85315700    2.53140800    3.57426700
 O                  0.98219400    1.97510700    1.58953200
 O                  2.85430400   10.23436500   -0.69589800
 C                  3.92944500   11.05033100   -0.28752400
 H                  0.70498000    6.30166200   -0.84024100
 H                  0.96273900    8.71912700   -1.38618700
 H                  4.68772500    8.84578800    0.79098600
 H                  1.57535900    4.24817300    0.25985400
 H                  5.28566400    4.40374100    2.45273200
 H                  5.53812200    6.79396700    1.89958700
 H                  0.94241700    2.33789700    3.89028700
 H                  4.89370400   10.68913400   -0.68962900
 H                  3.73002600   12.05472400   -0.68508200
 H                  4.00473100   11.10864900    0.81374700
 C                 -1.75201300    2.55687200   -1.61374600
 H                 -1.87035900    2.95827700   -2.63170700
 H                 -1.19785300    3.29304300   -1.01046700
 H                 -2.75344000    2.44444300   -1.17180500
 C                 -2.95945800   -4.08290900   -1.24889600
 C                 -3.53363500   -5.37791900   -1.77038900
 H                 -2.73262000   -6.11281400   -1.91385600
 H                 -4.06861700   -5.20081900   -2.71629900
 H                 -4.27034000   -5.76625100   -1.04888300
 O                 -1.78813700   -3.92390300   -0.95724000
 O                 -3.87877000   -3.13043500   -1.12601100
 H                 -3.44043300   -2.29234400   -0.82416500
 H                  3.54296611    2.04737269    0.86122441
 C                  4.30638010    2.37412199    2.84370009
 H                  4.13808159    1.38809104    3.22359294
 H                  5.30625503    2.44638112    2.46962959
 H                  4.16690583    3.08748918    3.62890973
