COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.186  -3.660   2.600  1.00  0.00           C  
HETATM    2  O   UNL     1       4.059  -4.449   1.789  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.378   1.627  -1.517  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.136   1.160  -1.500  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.839  -0.273  -1.225  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.602  -1.235  -2.168  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.371  -2.601  -1.468  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.318  -2.278   0.044  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.283  -0.739   0.148  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.271  -0.270   1.192  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.369   1.225   1.487  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.834   1.416   2.946  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.429   2.905   2.860  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.969   3.056   1.429  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.431   2.081   0.659  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.906   1.882  -0.734  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.952   2.050  -1.860  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.367   3.424  -1.987  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.192   0.645  -0.836  1.00  0.00           O  
HETATM   20  C   UNL     1       0.756   0.607  -1.904  1.00  0.00           C  
HETATM   21  C   UNL     1       1.168  -0.837  -2.167  1.00  0.00           C  
HETATM   22  C   UNL     1       1.851  -1.443  -0.951  1.00  0.00           C  
HETATM   23  C   UNL     1       2.883  -0.478  -0.345  1.00  0.00           C  
HETATM   24  C   UNL     1       2.489   0.961  -0.310  1.00  0.00           C  
HETATM   25  O   UNL     1       1.907   1.376  -1.547  1.00  0.00           O  
HETATM   26  C   UNL     1       3.735   1.812  -0.056  1.00  0.00           C  
HETATM   27  O   UNL     1       3.356   3.184   0.075  1.00  0.00           O  
HETATM   28  C   UNL     1       4.452   4.069   0.315  1.00  0.00           C  
HETATM   29  O   UNL     1       4.031  -0.740  -1.204  1.00  0.00           O  
HETATM   30  C   UNL     1       4.028  -2.195  -0.987  1.00  0.00           C  
HETATM   31  O   UNL     1       2.660  -2.571  -1.375  1.00  0.00           O  
HETATM   32  C   UNL     1       4.019  -2.224   0.573  1.00  0.00           C  
HETATM   33  O   UNL     1       3.289  -1.022   0.926  1.00  0.00           O  
HETATM   34  C   UNL     1       5.446  -2.173   1.122  1.00  0.00           C  
HETATM   35  C   UNL     1       3.290  -3.468   1.086  1.00  0.00           C  
HETATM   36  O   UNL     1       2.069  -0.874  -3.275  1.00  0.00           O  
HETATM   37  C   UNL     1      -0.103   4.204   0.980  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.883   5.513   1.112  1.00  0.00           C  
HETATM   39  C   UNL     1       1.152   4.268   1.853  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.794   1.770   1.471  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.565  -2.815   0.749  1.00  0.00           C  
HETATM   42  O   UNL     1      -4.618  -4.235   0.606  1.00  0.00           O  
HETATM   43  C   UNL     1      -5.752  -4.840   1.232  1.00  0.00           C  
HETATM   44  O   UNL     1      -2.139  -2.833   0.630  1.00  0.00           O  
HETATM   45  H   UNL     1       2.287  -4.137   2.991  1.00  0.00           H  
HETATM   46  H   UNL     1       3.635  -2.901   3.240  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.208   0.962  -1.329  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.559   2.673  -1.720  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.782  -0.484  -1.362  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.659  -0.985  -2.198  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.157  -1.222  -3.159  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.198  -3.278  -1.680  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.429  -3.038  -1.795  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.293  -0.401   0.372  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.439  -0.834   2.124  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.258  -0.517   0.851  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.629   1.263   3.665  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.975   0.781   3.123  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.277   3.551   3.061  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.608   3.112   3.543  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.120   2.655  -0.924  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.527   1.737  -2.835  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.022   3.573  -2.682  1.00  0.00           H  
HETATM   64  H   UNL     1       0.306   1.026  -2.804  1.00  0.00           H  
HETATM   65  H   UNL     1       0.281  -1.423  -2.408  1.00  0.00           H  
HETATM   66  H   UNL     1       1.117  -1.748  -0.205  1.00  0.00           H  
HETATM   67  H   UNL     1       1.783   1.116   0.507  1.00  0.00           H  
HETATM   68  H   UNL     1       4.220   1.480   0.862  1.00  0.00           H  
HETATM   69  H   UNL     1       4.425   1.704  -0.892  1.00  0.00           H  
HETATM   70  H   UNL     1       5.158   4.007  -0.513  1.00  0.00           H  
HETATM   71  H   UNL     1       4.082   5.090   0.402  1.00  0.00           H  
HETATM   72  H   UNL     1       4.953   3.784   1.241  1.00  0.00           H  
HETATM   73  H   UNL     1       4.826  -2.753  -1.477  1.00  0.00           H  
HETATM   74  H   UNL     1       5.935  -1.261   0.779  1.00  0.00           H  
HETATM   75  H   UNL     1       5.418  -2.182   2.211  1.00  0.00           H  
HETATM   76  H   UNL     1       6.004  -3.040   0.766  1.00  0.00           H  
HETATM   77  H   UNL     1       2.461  -3.817   0.471  1.00  0.00           H  
HETATM   78  H   UNL     1       1.696  -0.526  -4.097  1.00  0.00           H  
HETATM   79  H   UNL     1       0.185   4.056  -0.060  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.257   6.344   0.788  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.777   5.468   0.490  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.172   5.661   2.153  1.00  0.00           H  
HETATM   83  H   UNL     1       1.681   3.316   1.799  1.00  0.00           H  
HETATM   84  H   UNL     1       1.803   5.066   1.496  1.00  0.00           H  
HETATM   85  H   UNL     1       0.866   4.467   2.886  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.347   1.366   2.319  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.768   2.857   1.539  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.285   1.475   0.544  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.523  -2.557   1.807  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.454  -2.371   0.301  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.735  -4.624   2.301  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.666  -4.438   0.795  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.719  -5.919   1.079  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.086  -3.796   0.569  1.00  0.00           H  
CONECT    1    2   35   45   46                                       
CONECT    2    1   35                                                 
CONECT    3    4    4   47   48                                       
CONECT    4    3    3    5   17                                       
CONECT    5    4    9    6   49                                       
CONECT    6    5    7   50   51                                       
CONECT    7    6    8   52   53                                       
CONECT    8    7   44    9   41                                       
CONECT    9    5    8   10   54                                       
CONECT   10    9   11   55   56                                       
CONECT   11   10   12   15   40                                       
CONECT   12   11   13   57   58                                       
CONECT   13   12   14   59   60                                       
CONECT   14   13   15   15   37                                       
CONECT   15   11   14   14   16                                       
CONECT   16   15   17   19   61                                       
CONECT   17   16    4   18   62                                       
CONECT   18   17   63                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21   25   64                                       
CONECT   21   20   22   36   65                                       
CONECT   22   21   23   31   66                                       
CONECT   23   22   33   24   29                                       
CONECT   24   23   25   26   67                                       
CONECT   25   24   20                                                 
CONECT   26   24   27   68   69                                       
CONECT   27   26   28                                                 
CONECT   28   27   70   71   72                                       
CONECT   29   23   30                                                 
CONECT   30   29   31   32   73                                       
CONECT   31   30   22                                                 
CONECT   32   30   35   33   34                                       
CONECT   33   23   32                                                 
CONECT   34   32   74   75   76                                       
CONECT   35   32    1    2   77                                       
CONECT   36   21   78                                                 
CONECT   37   14   38   39   79                                       
CONECT   38   37   80   81   82                                       
CONECT   39   37   83   84   85                                       
CONECT   40   11   86   87   88                                       
CONECT   41    8   42   89   90                                       
CONECT   42   41   43                                                 
CONECT   43   42   91   92   93                                       
CONECT   44    8   94                                                 
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   30                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   43                                                      
CONECT   92   43                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
