COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -12.041  -3.920  -2.537  1.00  0.00           O  
HETATM    2  C   UNL     1       0.676   0.691  -0.410  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.581   0.191   0.305  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.241   0.384  -0.326  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.457  -0.098   0.367  1.00  0.00           C  
HETATM    6  C   UNL     1      11.832  -2.470   1.216  1.00  0.00           C  
HETATM    7  C   UNL     1      10.789  -2.320   0.078  1.00  0.00           C  
HETATM    8  C   UNL     1      10.748  -0.665  -1.890  1.00  0.00           C  
HETATM    9  C   UNL     1      10.347   1.285  -0.564  1.00  0.00           C  
HETATM   10  C   UNL     1      11.664   1.123   0.188  1.00  0.00           C  
HETATM   11  C   UNL     1      12.125  -0.338   0.155  1.00  0.00           C  
HETATM   12  C   UNL     1      12.178  -0.987   1.538  1.00  0.00           C  
HETATM   13  C   UNL     1      13.720   0.921  -0.830  1.00  0.00           C  
HETATM   14  C   UNL     1       9.214   0.709   0.289  1.00  0.00           C  
HETATM   15  C   UNL     1       6.831   0.579   0.300  1.00  0.00           C  
HETATM   16  C   UNL     1       4.411   0.354   0.464  1.00  0.00           C  
HETATM   17  C   UNL     1       3.172   0.772  -0.331  1.00  0.00           C  
HETATM   18  C   UNL     1       1.915   0.273   0.384  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.820   0.609  -0.489  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.714   0.159  -0.176  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.342  -0.816   1.559  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.858  -0.297   0.477  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.471  -1.271   2.211  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.734  -1.016   1.683  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.942  -1.504   2.384  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.192  -0.028  -0.091  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.934  -1.046  -0.729  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.798   1.303  -0.008  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.408  -2.349  -0.836  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.212  -0.747  -1.261  1.00  0.00           C  
HETATM   31  C   UNL     1     -11.076   1.508  -0.566  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.124   2.361   0.617  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.125  -3.322  -1.449  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.934  -1.746  -1.885  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.654   2.767  -0.489  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.708   3.591   0.683  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.399  -3.036  -1.984  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.973   3.802   0.131  1.00  0.00           C  
HETATM   39  N   UNL     1      11.182  -1.120  -0.660  1.00  0.00           N  
HETATM   40  N   UNL     1      10.361   0.601  -1.861  1.00  0.00           N  
HETATM   41  N   UNL     1      13.443  -0.296  -0.478  1.00  0.00           N  
HETATM   42  N   UNL     1      12.745   1.832  -0.517  1.00  0.00           N  
HETATM   43  N   UNL     1      14.891   1.268  -1.462  1.00  0.00           N  
HETATM   44  N   UNL     1       5.614   0.832  -0.221  1.00  0.00           N  
HETATM   45  N   UNL     1      10.722  -1.443  -3.023  1.00  0.00           N  
HETATM   46  N   UNL     1      -3.024   0.131   0.195  1.00  0.00           N  
HETATM   47  O   UNL     1      11.199  -0.413   2.407  1.00  0.00           O  
HETATM   48  O   UNL     1      13.487  -0.879   2.101  1.00  0.00           O  
HETATM   49  O   UNL     1       7.937   1.018  -0.330  1.00  0.00           O  
HETATM   50  O   UNL     1       6.930  -0.046   1.337  1.00  0.00           O  
HETATM   51  O   UNL     1      -4.340   1.009  -1.363  1.00  0.00           O  
HETATM   52  O   UNL     1     -10.043  -1.285   1.920  1.00  0.00           O  
HETATM   53  O   UNL     1      -8.821  -2.191   3.536  1.00  0.00           O  
HETATM   54  O   UNL     1     -11.731   0.495  -1.168  1.00  0.00           O  
HETATM   55  O   UNL     1     -11.540   5.032   0.204  1.00  0.00           O  
HETATM   56  H   UNL     1       0.722   0.257  -1.409  1.00  0.00           H  
HETATM   57  H   UNL     1       0.643   1.777  -0.487  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.548  -0.895   0.382  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.627   0.625   1.304  1.00  0.00           H  
HETATM   60  H   UNL     1      11.393  -2.963   2.083  1.00  0.00           H  
HETATM   61  H   UNL     1      12.713  -3.009   0.869  1.00  0.00           H  
HETATM   62  H   UNL     1      10.819  -3.191  -0.577  1.00  0.00           H  
HETATM   63  H   UNL     1       9.790  -2.197   0.495  1.00  0.00           H  
HETATM   64  H   UNL     1      10.162   2.347  -0.726  1.00  0.00           H  
HETATM   65  H   UNL     1      11.563   1.470   1.216  1.00  0.00           H  
HETATM   66  H   UNL     1       9.330  -0.373   0.363  1.00  0.00           H  
HETATM   67  H   UNL     1       9.251   1.148   1.286  1.00  0.00           H  
HETATM   68  H   UNL     1       4.365   0.787   1.463  1.00  0.00           H  
HETATM   69  H   UNL     1       4.443  -0.733   0.540  1.00  0.00           H  
HETATM   70  H   UNL     1       3.139   1.859  -0.407  1.00  0.00           H  
HETATM   71  H   UNL     1       3.217   0.338  -1.330  1.00  0.00           H  
HETATM   72  H   UNL     1       1.869   0.706   1.383  1.00  0.00           H  
HETATM   73  H   UNL     1       1.947  -0.814   0.461  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.853   1.696  -0.566  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.774   0.176  -1.489  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.802   0.711  -1.100  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.365  -1.016   1.973  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.374  -1.826   3.132  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.433  -2.572  -0.429  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.145   2.203   1.044  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.720  -4.320  -1.530  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.910  -1.532  -2.295  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.632   2.941  -0.913  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.189   4.407   1.164  1.00  0.00           H  
HETATM   85  H   UNL     1      12.764   2.779  -0.724  1.00  0.00           H  
HETATM   86  H   UNL     1      15.553   0.588  -1.664  1.00  0.00           H  
HETATM   87  H   UNL     1      15.055   2.192  -1.707  1.00  0.00           H  
HETATM   88  H   UNL     1       5.535   1.330  -1.049  1.00  0.00           H  
HETATM   89  H   UNL     1      11.019  -2.365  -2.985  1.00  0.00           H  
HETATM   90  H   UNL     1      10.407  -1.069  -3.861  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.945  -0.367   1.024  1.00  0.00           H  
HETATM   92  H   UNL     1      11.193  -0.791   3.296  1.00  0.00           H  
HETATM   93  H   UNL     1      13.571  -1.276   2.979  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.639  -2.489   3.957  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.077   5.171   0.996  1.00  0.00           H  
CONECT    1   37   37                                                 
CONECT    2   18    3   56   57                                       
CONECT    3   19    2   58   59                                       
CONECT    4   51   51   46    5                                       
CONECT    5    4   21   21   20                                       
CONECT    6    7   12   60   61                                       
CONECT    7   39    6   62   63                                       
CONECT    8   40   40   39   45                                       
CONECT    9   10   40   14   64                                       
CONECT   10   42    9   11   65                                       
CONECT   11   10   41   39   12                                       
CONECT   12   11   48    6   47                                       
CONECT   13   43   42   41   41                                       
CONECT   14    9   49   66   67                                       
CONECT   15   44   49   50   50                                       
CONECT   16   44   17   68   69                                       
CONECT   17   16   18   70   71                                       
CONECT   18   17    2   72   73                                       
CONECT   19    3   46   74   75                                       
CONECT   20    5   22   22   76                                       
CONECT   21    5    5   23   77                                       
CONECT   22   20   20   24   26                                       
CONECT   23   21   24   24   78                                       
CONECT   24   23   23   22   25                                       
CONECT   25   24   52   52   53                                       
CONECT   26   22   27   27   28                                       
CONECT   27   29   26   26   30                                       
CONECT   28   26   32   31   31                                       
CONECT   29   33   33   27   79                                       
CONECT   30   27   34   34   54                                       
CONECT   31   28   28   54   35                                       
CONECT   32   28   36   36   80                                       
CONECT   33   29   29   37   81                                       
CONECT   34   37   30   30   82                                       
CONECT   35   31   38   38   83                                       
CONECT   36   32   32   38   84                                       
CONECT   37   33    1    1   34                                       
CONECT   38   36   35   35   55                                       
CONECT   39   11    8    7                                            
CONECT   40    9    8    8                                            
CONECT   41   13   13   11                                            
CONECT   42   13   10   85                                            
CONECT   43   13   86   87                                            
CONECT   44   16   15   88                                            
CONECT   45    8   89   90                                            
CONECT   46   19    4   91                                            
CONECT   47   12   92                                                 
CONECT   48   12   93                                                 
CONECT   49   14   15                                                 
CONECT   50   15   15                                                 
CONECT   51    4    4                                                 
CONECT   52   25   25                                                 
CONECT   53   25   94                                                 
CONECT   54   30   31                                                 
CONECT   55   38   95                                                 
CONECT   56    2                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63    7                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   23                                                      
CONECT   79   29                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
CONECT   90   45                                                      
CONECT   91   46                                                      
CONECT   92   47                                                      
CONECT   93   48                                                      
CONECT   94   53                                                      
CONECT   95   55                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
