COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.765   2.344   0.538  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.976   3.292   0.532  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.163   2.390   0.154  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.582   1.020  -0.085  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.300  -0.081  -0.414  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.655  -1.306  -0.616  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.356  -2.612  -0.932  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.230  -3.650  -0.736  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.984  -2.776  -0.731  1.00  0.00           C  
HETATM   10  C   UNL     1       0.278  -3.259  -0.836  1.00  0.00           C  
HETATM   11  C   UNL     1       1.423  -2.458  -0.896  1.00  0.00           C  
HETATM   12  C   UNL     1       2.850  -2.988  -0.885  1.00  0.00           C  
HETATM   13  C   UNL     1       3.675  -1.732  -1.055  1.00  0.00           C  
HETATM   14  C   UNL     1       2.792  -0.727  -1.093  1.00  0.00           C  
HETATM   15  C   UNL     1       3.227   0.699  -1.267  1.00  0.00           C  
HETATM   16  C   UNL     1       2.240   1.681  -0.711  1.00  0.00           C  
HETATM   17  C   UNL     1       2.588   2.703   0.349  1.00  0.00           C  
HETATM   18  C   UNL     1       1.375   3.655   0.392  1.00  0.00           C  
HETATM   19  C   UNL     1       0.315   2.868  -0.406  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.198   2.238   1.956  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.238   1.034   0.096  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.358  -1.508  -0.594  1.00  0.00           N  
HETATM   23  N   UNL     1       1.528  -1.154  -0.979  1.00  0.00           N  
HETATM   24  N   UNL     1       1.024   1.768  -1.060  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.186   3.901   1.920  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.787   4.394  -0.513  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.027   5.249  -0.571  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.966   5.002   0.149  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.089   6.285  -1.422  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.175   2.342   1.301  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.419   1.573   0.851  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.471   1.645   1.928  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.248   2.249   2.951  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.655   1.038   1.752  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.504  -2.864   0.048  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.861  -2.624  -2.376  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.417  -3.985  -2.703  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.475  -4.836  -1.847  1.00  0.00           O  
HETATM   39  O   UNL     1      -4.847  -4.254  -3.946  1.00  0.00           O  
HETATM   40  C   UNL     1      -2.388  -4.380   0.599  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.333  -5.484   0.705  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.489  -6.203   2.020  1.00  0.00           C  
HETATM   43  O   UNL     1      -2.355  -5.868   2.793  1.00  0.00           O  
HETATM   44  O   UNL     1      -0.666  -7.216   2.333  1.00  0.00           O  
HETATM   45  C   UNL     1       3.166  -3.668   0.449  1.00  0.00           C  
HETATM   46  C   UNL     1       3.080  -3.951  -2.051  1.00  0.00           C  
HETATM   47  C   UNL     1       5.175  -1.634  -1.161  1.00  0.00           C  
HETATM   48  C   UNL     1       5.784  -1.592   0.243  1.00  0.00           C  
HETATM   49  C   UNL     1       7.284  -1.493   0.138  1.00  0.00           C  
HETATM   50  O   UNL     1       7.812  -1.459  -0.948  1.00  0.00           O  
HETATM   51  O   UNL     1       8.033  -1.442   1.250  1.00  0.00           O  
HETATM   52  C   UNL     1       3.853   3.469  -0.045  1.00  0.00           C  
HETATM   53  C   UNL     1       2.778   2.021   1.705  1.00  0.00           C  
HETATM   54  C   UNL     1       4.048   1.169   1.674  1.00  0.00           C  
HETATM   55  C   UNL     1       4.235   0.497   3.010  1.00  0.00           C  
HETATM   56  O   UNL     1       3.435   0.681   3.896  1.00  0.00           O  
HETATM   57  O   UNL     1       5.291  -0.306   3.216  1.00  0.00           O  
HETATM   58  C   UNL     1       1.700   4.983  -0.295  1.00  0.00           C  
HETATM   59  C   UNL     1       1.917   4.747  -1.768  1.00  0.00           C  
HETATM   60  O   UNL     1       1.731   3.649  -2.237  1.00  0.00           O  
HETATM   61  O   UNL     1       2.316   5.756  -2.558  1.00  0.00           O  
HETATM   62  C   UNL     1       3.413   0.979  -2.759  1.00  0.00           C  
HETATM   63  H   UNL     1      -4.373  -0.012  -0.521  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.205  -4.357  -1.565  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.990   1.936   2.642  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.728   1.839   2.159  1.00  0.00           H  
HETATM   67  H   UNL     1       0.871   5.677  -0.157  1.00  0.00           H  
HETATM   68  H   UNL     1       0.600   1.496   1.974  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.456   3.357   1.580  1.00  0.00           H  
HETATM   70  H   UNL     1       2.605   5.406   0.141  1.00  0.00           H  
HETATM   71  H   UNL     1       0.199   3.206   2.262  1.00  0.00           H  
HETATM   72  H   UNL     1       0.411  -4.340  -0.876  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.808   2.015  -0.066  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.258  -3.673   1.418  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.156   0.531   0.669  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.383  -4.823   0.656  1.00  0.00           H  
HETATM   77  H   UNL     1       4.183   0.839  -0.763  1.00  0.00           H  
HETATM   78  H   UNL     1       1.046   3.819   1.418  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.130   3.514  -1.163  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.661   0.268  -0.050  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.464  -6.191  -0.113  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.338  -5.042   0.649  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.905   6.803  -1.423  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.642   2.759  -0.754  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.297   1.112   2.471  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.196  -5.141  -4.108  1.00  0.00           H  
HETATM   87  H   UNL     1       3.676   4.008  -0.975  1.00  0.00           H  
HETATM   88  H   UNL     1       2.470   0.814  -3.280  1.00  0.00           H  
HETATM   89  H   UNL     1       4.109   4.177   0.743  1.00  0.00           H  
HETATM   90  H   UNL     1       3.729   2.013  -2.898  1.00  0.00           H  
HETATM   91  H   UNL     1       4.675   2.766  -0.183  1.00  0.00           H  
HETATM   92  H   UNL     1       4.172   0.309  -3.163  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.805  -7.647   3.188  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.298   4.463   2.208  1.00  0.00           H  
HETATM   95  H   UNL     1       2.868   2.779   2.484  1.00  0.00           H  
HETATM   96  H   UNL     1       8.990  -1.379   1.132  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.047   4.569   1.896  1.00  0.00           H  
HETATM   98  H   UNL     1       1.918   1.384   1.915  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.363   3.105   2.642  1.00  0.00           H  
HETATM  100  H   UNL     1       5.369  -0.715   4.089  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.933   5.013  -0.238  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.240  -2.065  -0.041  1.00  0.00           H  
HETATM  103  H   UNL     1       2.497  -4.517   0.591  1.00  0.00           H  
HETATM  104  H   UNL     1       3.958   0.411   0.896  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.611   3.943  -1.489  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.975  -3.819  -0.182  1.00  0.00           H  
HETATM  107  H   UNL     1       4.198  -4.017   0.444  1.00  0.00           H  
HETATM  108  H   UNL     1       4.908   1.805   1.464  1.00  0.00           H  
HETATM  109  H   UNL     1       2.441   5.556  -3.496  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.114  -2.887   1.066  1.00  0.00           H  
HETATM  111  H   UNL     1       3.026  -2.956   1.262  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.643  -1.874  -2.494  1.00  0.00           H  
HETATM  113  H   UNL     1       2.882  -3.437  -2.992  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.035  -2.397  -3.051  1.00  0.00           H  
HETATM  115  H   UNL     1       4.114  -4.298  -2.038  1.00  0.00           H  
HETATM  116  H   UNL     1       2.410  -4.805  -1.955  1.00  0.00           H  
HETATM  117  H   UNL     1       5.560  -2.501  -1.697  1.00  0.00           H  
HETATM  118  H   UNL     1       5.443  -0.725  -1.700  1.00  0.00           H  
HETATM  119  H   UNL     1       5.399  -0.724   0.780  1.00  0.00           H  
HETATM  120  H   UNL     1       5.516  -2.500   0.782  1.00  0.00           H  
CONECT    1    2   19   20   21                                       
CONECT    2    1    3   25   26                                       
CONECT    3    2    4   30   84                                       
CONECT    4    3    5    5   21                                       
CONECT    5    4    4    6   63                                       
CONECT    6    5    7   22   22                                       
CONECT    7    6    8   35   36                                       
CONECT    8    7    9   40   64                                       
CONECT    9    8   10   10   22                                       
CONECT   10    9    9   11   72                                       
CONECT   11   10   12   23   23                                       
CONECT   12   11   13   45   46                                       
CONECT   13   12   14   14   47                                       
CONECT   14   13   13   15   23                                       
CONECT   15   14   16   62   77                                       
CONECT   16   15   17   24   24                                       
CONECT   17   16   18   52   53                                       
CONECT   18   17   19   58   78                                       
CONECT   19    1   18   24   79                                       
CONECT   20    1   65   68   71                                       
CONECT   21    1    4   80                                            
CONECT   22    6    6    9                                            
CONECT   23   11   11   14                                            
CONECT   24   16   16   19                                            
CONECT   25    2   94   97   99                                       
CONECT   26    2   27  101  105                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   83                                                 
CONECT   30    3   31   66   69                                       
CONECT   31   30   32   73   75                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   85                                                 
CONECT   35    7  102  106  110                                       
CONECT   36    7   37  112  114                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   86                                                 
CONECT   40    8   41   74   76                                       
CONECT   41   40   42   81   82                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   93                                                 
CONECT   45   12  103  107  111                                       
CONECT   46   12  113  115  116                                       
CONECT   47   13   48  117  118                                       
CONECT   48   47   49  119  120                                       
CONECT   49   48   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   96                                                 
CONECT   52   17   87   89   91                                       
CONECT   53   17   54   95   98                                       
CONECT   54   53   55  104  108                                       
CONECT   55   54   56   56   57                                       
CONECT   56   55   55                                                 
CONECT   57   55  100                                                 
CONECT   58   18   59   67   70                                       
CONECT   59   58   60   60   61                                       
CONECT   60   59   59                                                 
CONECT   61   59  109                                                 
CONECT   62   15   88   90   92                                       
CONECT   63    5                                                      
CONECT   64    8                                                      
CONECT   65   20                                                      
CONECT   66   30                                                      
CONECT   67   58                                                      
CONECT   68   20                                                      
CONECT   69   30                                                      
CONECT   70   58                                                      
CONECT   71   20                                                      
CONECT   72   10                                                      
CONECT   73   31                                                      
CONECT   74   40                                                      
CONECT   75   31                                                      
CONECT   76   40                                                      
CONECT   77   15                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   21                                                      
CONECT   81   41                                                      
CONECT   82   41                                                      
CONECT   83   29                                                      
CONECT   84    3                                                      
CONECT   85   34                                                      
CONECT   86   39                                                      
CONECT   87   52                                                      
CONECT   88   62                                                      
CONECT   89   52                                                      
CONECT   90   62                                                      
CONECT   91   52                                                      
CONECT   92   62                                                      
CONECT   93   44                                                      
CONECT   94   25                                                      
CONECT   95   53                                                      
CONECT   96   51                                                      
CONECT   97   25                                                      
CONECT   98   53                                                      
CONECT   99   25                                                      
CONECT  100   57                                                      
CONECT  101   26                                                      
CONECT  102   35                                                      
CONECT  103   45                                                      
CONECT  104   54                                                      
CONECT  105   26                                                      
CONECT  106   35                                                      
CONECT  107   45                                                      
CONECT  108   54                                                      
CONECT  109   61                                                      
CONECT  110   35                                                      
CONECT  111   45                                                      
CONECT  112   36                                                      
CONECT  113   46                                                      
CONECT  114   36                                                      
CONECT  115   46                                                      
CONECT  116   46                                                      
CONECT  117   47                                                      
CONECT  118   47                                                      
CONECT  119   48                                                      
CONECT  120   48                                                      
MASTER        0    0    0    0    0    0    0    0  120    0  120    0
END
