COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.716   1.441  -1.098  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.848   0.999  -0.169  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.237   2.160   0.749  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.060   0.581  -1.004  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.465   0.388  -2.113  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.787  -0.880  -1.707  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.240  -1.082  -0.597  1.00  0.00           O  
HETATM    8  O   UNL     1      -6.590  -1.897  -2.567  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.923  -3.255  -2.175  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.453   1.647  -0.303  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.575   2.374  -0.718  1.00  0.00           O  
HETATM   12  N   UNL     1      -5.313   1.007   0.890  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.048   1.249   1.617  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.864   0.153   2.669  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.375  -1.107   2.002  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.833  -1.059   0.917  1.00  0.00           O  
HETATM   17  N   UNL     1      -3.550  -2.300   2.636  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.895   1.217   0.647  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.028   0.689  -0.436  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.639  -4.028  -1.870  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.682  -4.539  -0.428  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.254  -4.699   0.099  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.230  -4.409   1.601  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.047  -3.495   1.925  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.716   1.777   0.984  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.631   1.845   0.002  1.00  0.00           C  
HETATM   27  C   UNL     1       0.710   1.961   0.731  1.00  0.00           C  
HETATM   28  O   UNL     1       0.716   3.144   1.532  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.830   3.069  -0.895  1.00  0.00           C  
HETATM   30  C   UNL     1       0.234   3.075  -1.994  1.00  0.00           C  
HETATM   31  C   UNL     1       0.036   1.860  -2.903  1.00  0.00           C  
HETATM   32  C   UNL     1       0.107   4.356  -2.820  1.00  0.00           C  
HETATM   33  C   UNL     1       0.909   0.737   1.628  1.00  0.00           C  
HETATM   34  C   UNL     1       2.318   0.767   2.224  1.00  0.00           C  
HETATM   35  C   UNL     1       2.467  -0.370   3.238  1.00  0.00           C  
HETATM   36  C   UNL     1       3.333   0.595   1.124  1.00  0.00           C  
HETATM   37  O   UNL     1       2.966   0.462  -0.024  1.00  0.00           O  
HETATM   38  N   UNL     1       4.649   0.589   1.416  1.00  0.00           N  
HETATM   39  C   UNL     1       5.636   0.422   0.346  1.00  0.00           C  
HETATM   40  C   UNL     1       5.933   1.781  -0.291  1.00  0.00           C  
HETATM   41  C   UNL     1       6.906  -0.153   0.919  1.00  0.00           C  
HETATM   42  O   UNL     1       7.058  -0.208   2.121  1.00  0.00           O  
HETATM   43  C   UNL     1       4.677   2.301  -0.993  1.00  0.00           C  
HETATM   44  C   UNL     1       6.357   2.771   0.795  1.00  0.00           C  
HETATM   45  N   UNL     1       7.872  -0.606   0.096  1.00  0.00           N  
HETATM   46  C   UNL     1       9.150  -1.062   0.648  1.00  0.00           C  
HETATM   47  C   UNL     1      10.049  -1.514  -0.474  1.00  0.00           C  
HETATM   48  C   UNL     1      10.899  -0.612  -1.085  1.00  0.00           C  
HETATM   49  C   UNL     1      11.724  -1.027  -2.114  1.00  0.00           C  
HETATM   50  C   UNL     1      11.698  -2.344  -2.531  1.00  0.00           C  
HETATM   51  C   UNL     1      10.849  -3.247  -1.919  1.00  0.00           C  
HETATM   52  C   UNL     1      10.028  -2.833  -0.888  1.00  0.00           C  
HETATM   53  H   UNL     1      -6.992   2.371  -1.596  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.514   0.155   0.435  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.570   3.004   0.145  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.043   1.846   1.411  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.373   2.458   1.344  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.803  -0.289  -1.607  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.889   0.332  -0.341  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.352   1.403  -1.657  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.102   0.581  -2.992  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.459  -3.746  -2.987  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.554  -3.232  -1.286  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.003   0.424   1.244  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.088   2.222   2.106  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.133   0.479   3.409  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.816  -0.043   3.160  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.979  -2.362   3.504  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.780  -3.369  -1.996  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.552  -4.873  -2.552  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.190  -5.503  -0.399  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.221  -3.825   0.195  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.596  -4.000  -0.417  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.913  -5.719  -0.080  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.126  -5.345   2.150  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.159  -3.918   1.892  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.557  -3.190   1.000  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.337  -4.026   2.559  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.586   2.134   1.876  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.636   0.942  -0.608  1.00  0.00           H  
HETATM   81  H   UNL     1       1.517   2.011   0.001  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.011   3.059   2.163  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.741   3.976  -0.297  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.821   3.029  -1.348  1.00  0.00           H  
HETATM   85  H   UNL     1       1.225   3.031  -1.540  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.990   1.847  -3.272  1.00  0.00           H  
HETATM   87  H   UNL     1       0.725   1.920  -3.745  1.00  0.00           H  
HETATM   88  H   UNL     1       0.230   0.948  -2.339  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.883   4.400  -3.273  1.00  0.00           H  
HETATM   90  H   UNL     1       0.249   5.221  -2.172  1.00  0.00           H  
HETATM   91  H   UNL     1       0.866   4.360  -3.603  1.00  0.00           H  
HETATM   92  H   UNL     1       0.174   0.752   2.432  1.00  0.00           H  
HETATM   93  H   UNL     1       0.784  -0.170   1.038  1.00  0.00           H  
HETATM   94  H   UNL     1       2.482   1.722   2.723  1.00  0.00           H  
HETATM   95  H   UNL     1       1.677  -0.296   3.985  1.00  0.00           H  
HETATM   96  H   UNL     1       2.391  -1.328   2.723  1.00  0.00           H  
HETATM   97  H   UNL     1       3.438  -0.296   3.727  1.00  0.00           H  
HETATM   98  H   UNL     1       4.943   0.695   2.334  1.00  0.00           H  
HETATM   99  H   UNL     1       5.240  -0.256  -0.411  1.00  0.00           H  
HETATM  100  H   UNL     1       6.737   1.673  -1.019  1.00  0.00           H  
HETATM  101  H   UNL     1       3.872   2.408  -0.265  1.00  0.00           H  
HETATM  102  H   UNL     1       4.888   3.269  -1.446  1.00  0.00           H  
HETATM  103  H   UNL     1       4.374   1.595  -1.766  1.00  0.00           H  
HETATM  104  H   UNL     1       7.201   2.362   1.351  1.00  0.00           H  
HETATM  105  H   UNL     1       6.650   3.714   0.333  1.00  0.00           H  
HETATM  106  H   UNL     1       5.523   2.943   1.476  1.00  0.00           H  
HETATM  107  H   UNL     1       7.721  -0.630  -0.862  1.00  0.00           H  
HETATM  108  H   UNL     1       9.626  -0.243   1.187  1.00  0.00           H  
HETATM  109  H   UNL     1       8.975  -1.893   1.331  1.00  0.00           H  
HETATM  110  H   UNL     1      10.919   0.418  -0.759  1.00  0.00           H  
HETATM  111  H   UNL     1      12.387  -0.322  -2.592  1.00  0.00           H  
HETATM  112  H   UNL     1      12.342  -2.668  -3.336  1.00  0.00           H  
HETATM  113  H   UNL     1      10.829  -4.276  -2.246  1.00  0.00           H  
HETATM  114  H   UNL     1       9.364  -3.538  -0.410  1.00  0.00           H  
CONECT    1    2    5   10   53                                       
CONECT    2    1    3    4   54                                       
CONECT    3    2   55   56   57                                       
CONECT    4    2   58   59   60                                       
CONECT    5    1    6   61                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9                                                 
CONECT    9    8   20   62   63                                       
CONECT   10    1   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   64                                            
CONECT   13   12   14   18   65                                       
CONECT   14   13   15   66   67                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   24   68                                            
CONECT   18   13   19   19   25                                       
CONECT   19   18   18                                                 
CONECT   20    9   21   69   70                                       
CONECT   21   20   22   71   72                                       
CONECT   22   21   23   73   74                                       
CONECT   23   22   24   75   76                                       
CONECT   24   17   23   77   78                                       
CONECT   25   18   26   79                                            
CONECT   26   25   27   29   80                                       
CONECT   27   26   28   33   81                                       
CONECT   28   27   82                                                 
CONECT   29   26   30   83   84                                       
CONECT   30   29   31   32   85                                       
CONECT   31   30   86   87   88                                       
CONECT   32   30   89   90   91                                       
CONECT   33   27   34   92   93                                       
CONECT   34   33   35   36   94                                       
CONECT   35   34   95   96   97                                       
CONECT   36   34   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   98                                            
CONECT   39   38   40   41   99                                       
CONECT   40   39   43   44  100                                       
CONECT   41   39   42   42   45                                       
CONECT   42   41   41                                                 
CONECT   43   40  101  102  103                                       
CONECT   44   40  104  105  106                                       
CONECT   45   41   46  107                                            
CONECT   46   45   47  108  109                                       
CONECT   47   46   48   48   52                                       
CONECT   48   47   47   49  110                                       
CONECT   49   48   50   50  111                                       
CONECT   50   49   49   51  112                                       
CONECT   51   50   52   52  113                                       
CONECT   52   47   51   51  114                                       
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   17                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   38                                                      
CONECT   99   39                                                      
CONECT  100   40                                                      
CONECT  101   43                                                      
CONECT  102   43                                                      
CONECT  103   43                                                      
CONECT  104   44                                                      
CONECT  105   44                                                      
CONECT  106   44                                                      
CONECT  107   45                                                      
CONECT  108   46                                                      
CONECT  109   46                                                      
CONECT  110   48                                                      
CONECT  111   49                                                      
CONECT  112   50                                                      
CONECT  113   51                                                      
CONECT  114   52                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
