          81
 
   C         -4.64327720      2.47587720      0.48908270
   C         -5.81231650      1.50691520      0.38963840
   C         -5.44346070      0.31387300     -0.56801130
   C         -3.88993040      0.10134100     -0.64866100
   C         -3.09547350      0.36018880      0.66753160
   C         -3.36025990      1.85218930      1.08497460
   C         -3.48951610     -1.23722790     -1.27466820
   C         -2.01520040     -1.19776070     -1.67981180
   C         -1.12417920     -0.57963000     -0.62968730
   C         -1.58840820      0.12843710      0.42253840
   C         -6.21477890     -0.96029610     -0.17400300
   C         -5.91828070      0.72594450     -1.98032670
   C         -0.65961030      0.66201040      1.51526990
   C          0.86501000      0.43802500      1.32816260
   C          1.12795450     -0.82000110      0.50611210
   C          0.37525800     -0.68752700     -0.85960460
   C          2.58622130     -1.04167390      0.04545540
   C          2.43505680     -1.98995240     -1.18964740
   C          0.93796370     -1.90556300     -1.63385730
   C          3.61043500     -1.43918260      1.14513220
   C          4.96691400     -0.74467610      0.89160440
   C          4.95077940      0.76248070      1.23168140
   C          6.20039910      1.47592580      0.78283050
   C          6.40635850      2.02801800     -0.42411810
   C          3.82667990     -2.95128580      1.32353120
   C          7.71722530      2.68896880     -0.77577380
   C          5.38013430      2.03822540     -1.53196200
   O         -6.17592990      1.13799620      1.73739430
   C          0.76365220      0.58281270     -1.67432270
   C          0.62898600     -2.04508790      1.30964300
   H          3.21951150     -1.04825440      2.09791830
   H         -3.52571800      0.87723720     -1.34134160
   C         -3.53441900     -0.58908470      1.81186270
   H         -4.94019810      3.35006580      1.08169010
   H         -4.43655840      2.83137650     -0.52896410
   H         -6.67590510      2.03004300     -0.05549380
   H         -3.39349690      1.92050670      2.17839030
   H         -2.52469650      2.47964690      0.75230990
   H         -4.11057390     -1.45694920     -2.15235320
   H         -3.65477510     -2.05026180     -0.55701020
   H         -1.65984730     -2.21372610     -1.90109190
   H         -1.90477360     -0.63341620     -2.62223240
   H         -5.89345060     -1.35862830      0.79186650
   H         -7.29377010     -0.74636670     -0.12521680
   H         -6.07508370     -1.74064310     -0.93038180
   H         -5.48743000      1.69464490     -2.26703830
   H         -5.61354260     -0.01689330     -2.72762970
   H         -7.01297890      0.81322630     -2.00901920
   H         -0.96262930      0.18530710      2.45833190
   H         -0.83789910      1.73288650      1.67222140
   H          1.32027740      1.30091460      0.82742470
   H          1.34189010      0.36111710      2.31539900
   H          2.91927320     -0.07127050     -0.33849150
   H          3.10979380     -1.68266780     -1.99739460
   H          2.69138380     -3.02295330     -0.93729080
   H          0.40660770     -2.82095150     -1.35047220
   H          0.83051390     -1.78926270     -2.71892450
   H          5.24452650     -0.87403950     -0.16495200
   H          5.75531680     -1.23134550      1.48420200
   H          4.06420980      1.22620260      0.78153140
   H          4.83212540      0.86877300      2.31978060
   H          7.02527380      1.50460780      1.49868010
   H          4.43891870     -3.13507430      2.21651840
   H          4.36057010     -3.37281920      0.46115610
   H          2.88196610     -3.49336950      1.43609940
   H          8.42346910      2.65730990      0.06295020
   H          8.18386070      2.19622630     -1.64351760
   H          7.56050010      3.74178680     -1.05970410
   H          4.45298730      1.52318350     -1.26120040
   H          5.78933890      1.55250960     -2.43143720
   H          5.13203970      3.07176430     -1.82041280
   H         -6.95707090      0.57282850      1.67891820
   H          0.54041110      1.50084580     -1.12213970
   H          0.16787450      0.59394760     -2.59633040
   H          1.82093520      0.58722530     -1.96673710
   H         -0.44192690     -1.97071290      1.51969250
   H          1.16902960     -2.09486010      2.26298550
   H          0.80626600     -2.98355920      0.77491540
   H         -4.56163040     -0.38100190      2.11545750
   H         -2.89872450     -0.43705210      2.69183120
   H         -3.44017760     -1.63838410      1.50851720
