COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.023  -1.484   0.317  1.00  0.00           C  
HETATM    2  O   UNL     1       7.677  -2.592  -0.040  1.00  0.00           O  
HETATM    3  O   UNL     1       9.328  -1.216   0.513  1.00  0.00           O  
HETATM    4  C   UNL     1      10.322  -2.252   0.296  1.00  0.00           C  
HETATM    5  C   UNL     1      10.256  -2.727  -1.156  1.00  0.00           C  
HETATM    6  C   UNL     1      11.715  -1.690   0.586  1.00  0.00           C  
HETATM    7  C   UNL     1      10.042  -3.430   1.231  1.00  0.00           C  
HETATM    8  N   UNL     1       7.100  -0.522   0.518  1.00  0.00           N  
HETATM    9  C   UNL     1       5.680  -0.814   0.305  1.00  0.00           C  
HETATM   10  C   UNL     1       5.092  -1.438   1.572  1.00  0.00           C  
HETATM   11  C   UNL     1       3.618  -1.772   1.339  1.00  0.00           C  
HETATM   12  C   UNL     1       5.858  -2.718   1.913  1.00  0.00           C  
HETATM   13  C   UNL     1       5.213  -0.447   2.732  1.00  0.00           C  
HETATM   14  C   UNL     1       4.947   0.464  -0.012  1.00  0.00           C  
HETATM   15  O   UNL     1       5.346   1.519   0.434  1.00  0.00           O  
HETATM   16  N   UNL     1       3.849   0.435  -0.792  1.00  0.00           N  
HETATM   17  C   UNL     1       3.239  -0.747  -1.473  1.00  0.00           C  
HETATM   18  C   UNL     1       2.946   1.553  -1.154  1.00  0.00           C  
HETATM   19  C   UNL     1       2.592   1.308  -2.637  1.00  0.00           C  
HETATM   20  C   UNL     1       2.801  -0.206  -2.851  1.00  0.00           C  
HETATM   21  C   UNL     1       3.709   0.851  -3.578  1.00  0.00           C  
HETATM   22  C   UNL     1       3.497   1.047  -5.081  1.00  0.00           C  
HETATM   23  C   UNL     1       5.152   0.993  -3.092  1.00  0.00           C  
HETATM   24  C   UNL     1       1.701   1.518  -0.304  1.00  0.00           C  
HETATM   25  O   UNL     1       1.408   0.509   0.301  1.00  0.00           O  
HETATM   26  N   UNL     1       0.914   2.609  -0.218  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.233   2.614   0.693  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.592   4.057   1.053  1.00  0.00           C  
HETATM   29  C   UNL     1       0.551   4.681   1.856  1.00  0.00           C  
HETATM   30  C   UNL     1       0.434   6.163   2.217  1.00  0.00           C  
HETATM   31  C   UNL     1       0.257   5.097   3.299  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.400   1.774  -1.174  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.411   1.957   0.020  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.601   1.716   2.028  1.00  0.00           O  
HETATM   35  N   UNL     1      -3.643   0.944   0.227  1.00  0.00           N  
HETATM   36  C   UNL     1      -4.801   0.527   1.021  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.831  -0.098   0.117  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.619  -0.186  -1.074  1.00  0.00           O  
HETATM   39  C   UNL     1      -2.589   1.532   0.828  1.00  0.00           C  
HETATM   40  N   UNL     1      -6.989  -0.559   0.631  1.00  0.00           N  
HETATM   41  C   UNL     1      -7.991  -1.167  -0.248  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.850  -2.113   0.549  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.367  -1.718   1.769  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.118  -3.379   0.063  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.159  -2.585   2.498  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.907  -4.248   0.794  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.428  -3.850   2.011  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.854  -0.087  -0.847  1.00  0.00           C  
HETATM   49  O   UNL     1      -8.981   0.975  -0.275  1.00  0.00           O  
HETATM   50  N   UNL     1      -9.486  -0.301  -2.018  1.00  0.00           N  
HETATM   51  C   UNL     1     -10.376   0.724  -2.569  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.284  -1.560  -2.740  1.00  0.00           C  
HETATM   53  H   UNL     1      10.455  -1.887  -1.823  1.00  0.00           H  
HETATM   54  H   UNL     1      11.002  -3.504  -1.319  1.00  0.00           H  
HETATM   55  H   UNL     1       9.263  -3.127  -1.363  1.00  0.00           H  
HETATM   56  H   UNL     1      11.762  -1.352   1.621  1.00  0.00           H  
HETATM   57  H   UNL     1      12.462  -2.468   0.424  1.00  0.00           H  
HETATM   58  H   UNL     1      11.915  -0.851  -0.080  1.00  0.00           H  
HETATM   59  H   UNL     1       9.050  -3.830   1.025  1.00  0.00           H  
HETATM   60  H   UNL     1      10.789  -4.208   1.069  1.00  0.00           H  
HETATM   61  H   UNL     1      10.090  -3.092   2.266  1.00  0.00           H  
HETATM   62  H   UNL     1       7.376   0.363   0.803  1.00  0.00           H  
HETATM   63  H   UNL     1       5.573  -1.510  -0.527  1.00  0.00           H  
HETATM   64  H   UNL     1       3.524  -2.407   0.458  1.00  0.00           H  
HETATM   65  H   UNL     1       3.222  -2.296   2.209  1.00  0.00           H  
HETATM   66  H   UNL     1       3.056  -0.851   1.184  1.00  0.00           H  
HETATM   67  H   UNL     1       6.908  -2.480   2.079  1.00  0.00           H  
HETATM   68  H   UNL     1       5.439  -3.162   2.816  1.00  0.00           H  
HETATM   69  H   UNL     1       5.772  -3.423   1.087  1.00  0.00           H  
HETATM   70  H   UNL     1       4.668   0.465   2.489  1.00  0.00           H  
HETATM   71  H   UNL     1       4.795  -0.892   3.635  1.00  0.00           H  
HETATM   72  H   UNL     1       6.264  -0.209   2.898  1.00  0.00           H  
HETATM   73  H   UNL     1       2.379  -1.129  -0.924  1.00  0.00           H  
HETATM   74  H   UNL     1       3.992  -1.526  -1.593  1.00  0.00           H  
HETATM   75  H   UNL     1       3.458   2.508  -1.038  1.00  0.00           H  
HETATM   76  H   UNL     1       1.728   1.832  -3.043  1.00  0.00           H  
HETATM   77  H   UNL     1       2.099  -0.806  -3.430  1.00  0.00           H  
HETATM   78  H   UNL     1       2.608   0.501  -5.397  1.00  0.00           H  
HETATM   79  H   UNL     1       3.367   2.108  -5.293  1.00  0.00           H  
HETATM   80  H   UNL     1       4.366   0.672  -5.622  1.00  0.00           H  
HETATM   81  H   UNL     1       5.832   0.624  -3.860  1.00  0.00           H  
HETATM   82  H   UNL     1       5.366   2.043  -2.891  1.00  0.00           H  
HETATM   83  H   UNL     1       5.287   0.414  -2.179  1.00  0.00           H  
HETATM   84  H   UNL     1       1.108   3.391  -0.759  1.00  0.00           H  
HETATM   85  H   UNL     1       0.020   2.065   1.600  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.751   4.631   0.140  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.503   4.066   1.651  1.00  0.00           H  
HETATM   88  H   UNL     1       1.546   4.294   1.637  1.00  0.00           H  
HETATM   89  H   UNL     1       1.352   6.751   2.235  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.458   6.694   1.882  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.752   4.925   3.676  1.00  0.00           H  
HETATM   92  H   UNL     1       1.058   4.982   4.029  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.634   0.797  -0.732  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.233   1.396   1.518  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.485  -0.200   1.770  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.158  -0.488   1.584  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.489  -1.715  -1.046  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.157  -0.729   2.149  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.712  -3.690  -0.888  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.566  -2.274   3.449  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.117  -5.237   0.414  1.00  0.00           H  
HETATM  102  H   UNL     1     -11.044  -4.529   2.582  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.793   0.374  -3.513  1.00  0.00           H  
HETATM  104  H   UNL     1     -11.185   0.920  -1.865  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.812   1.642  -2.738  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.671  -2.230  -2.137  1.00  0.00           H  
HETATM  107  H   UNL     1     -10.250  -2.027  -2.934  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.781  -1.359  -3.686  1.00  0.00           H  
CONECT    1    2    2    3    8                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5    6    7                                       
CONECT    5    4   53   54   55                                       
CONECT    6    4   56   57   58                                       
CONECT    7    4   59   60   61                                       
CONECT    8    1    9   62                                            
CONECT    9    8   10   14   63                                       
CONECT   10    9   11   12   13                                       
CONECT   11   10   64   65   66                                       
CONECT   12   10   67   68   69                                       
CONECT   13   10   70   71   72                                       
CONECT   14    9   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   18                                            
CONECT   17   16   20   73   74                                       
CONECT   18   16   19   24   75                                       
CONECT   19   18   20   21   76                                       
CONECT   20   17   19   21   77                                       
CONECT   21   19   20   22   23                                       
CONECT   22   21   78   79   80                                       
CONECT   23   21   81   82   83                                       
CONECT   24   18   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   84                                            
CONECT   27   26   28   33   85                                       
CONECT   28   27   29   86   87                                       
CONECT   29   28   30   31   88                                       
CONECT   30   29   31   89   90                                       
CONECT   31   29   30   91   92                                       
CONECT   32   33   33                                                 
CONECT   33   27   32   32   39                                       
CONECT   34   39   39                                                 
CONECT   35   36   39   93                                            
CONECT   36   35   37   94   95                                       
CONECT   37   36   38   38   40                                       
CONECT   38   37   37                                                 
CONECT   39   33   34   34   35                                       
CONECT   40   37   41   96                                            
CONECT   41   40   42   48   97                                       
CONECT   42   41   43   44   44                                       
CONECT   43   42   45   45   98                                       
CONECT   44   42   42   46   99                                       
CONECT   45   43   43   47  100                                       
CONECT   46   44   47   47  101                                       
CONECT   47   45   46   46  102                                       
CONECT   48   41   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48   51   52                                            
CONECT   51   50  103  104  105                                       
CONECT   52   50  106  107  108                                       
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   13                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   22                                                      
CONECT   81   23                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   26                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   29                                                      
CONECT   89   30                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   31                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   40                                                      
CONECT   97   41                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   51                                                      
CONECT  104   51                                                      
CONECT  105   51                                                      
CONECT  106   52                                                      
CONECT  107   52                                                      
CONECT  108   52                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
