COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.707   0.909   0.789  1.00  0.00           C  
HETATM    2  O   UNL     1       2.661   1.132   1.980  1.00  0.00           O  
HETATM    3  C   UNL     1       3.989   1.131   0.029  1.00  0.00           C  
HETATM    4  C   UNL     1       3.757   2.171  -1.070  1.00  0.00           C  
HETATM    5  C   UNL     1       4.991   2.280  -1.927  1.00  0.00           C  
HETATM    6  C   UNL     1       5.886   3.283  -1.714  1.00  0.00           C  
HETATM    7  C   UNL     1       7.033   3.401  -2.496  1.00  0.00           C  
HETATM    8  C   UNL     1       7.293   2.515  -3.496  1.00  0.00           C  
HETATM    9  C   UNL     1       6.392   1.465  -3.747  1.00  0.00           C  
HETATM   10  C   UNL     1       6.626   0.532  -4.771  1.00  0.00           C  
HETATM   11  C   UNL     1       5.731  -0.471  -4.984  1.00  0.00           C  
HETATM   12  C   UNL     1       4.584  -0.589  -4.202  1.00  0.00           C  
HETATM   13  C   UNL     1       4.325   0.297  -3.201  1.00  0.00           C  
HETATM   14  C   UNL     1       5.228   1.343  -2.947  1.00  0.00           C  
HETATM   15  C   UNL     1       5.069   1.635   0.987  1.00  0.00           C  
HETATM   16  C   UNL     1       5.408   0.550   1.977  1.00  0.00           C  
HETATM   17  C   UNL     1       4.956   0.627   3.258  1.00  0.00           C  
HETATM   18  C   UNL     1       5.259  -0.367   4.187  1.00  0.00           C  
HETATM   19  C   UNL     1       6.016  -1.443   3.840  1.00  0.00           C  
HETATM   20  C   UNL     1       6.502  -1.558   2.526  1.00  0.00           C  
HETATM   21  C   UNL     1       7.287  -2.653   2.131  1.00  0.00           C  
HETATM   22  C   UNL     1       7.740  -2.730   0.849  1.00  0.00           C  
HETATM   23  C   UNL     1       7.437  -1.737  -0.079  1.00  0.00           C  
HETATM   24  C   UNL     1       6.679  -0.661   0.268  1.00  0.00           C  
HETATM   25  C   UNL     1       6.189  -0.549   1.580  1.00  0.00           C  
HETATM   26  N   UNL     1       1.611   0.458   0.146  1.00  0.00           N  
HETATM   27  C   UNL     1       0.367   0.236   0.886  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.469  -0.791   0.167  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.065  -1.289  -0.863  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.411   1.550   0.982  1.00  0.00           C  
HETATM   31  C   UNL     1       0.373   2.539   1.806  1.00  0.00           C  
HETATM   32  N   UNL     1       1.206   3.476   1.331  1.00  0.00           N1+
HETATM   33  C   UNL     1       0.354   2.639   3.149  1.00  0.00           C  
HETATM   34  C   UNL     1       1.709   4.150   2.329  1.00  0.00           C  
HETATM   35  N   UNL     1       1.204   3.660   3.481  1.00  0.00           N  
HETATM   36  N   UNL     1      -1.666  -1.157   0.667  1.00  0.00           N  
HETATM   37  C   UNL     1      -2.429  -2.233   0.030  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.999  -3.579   0.615  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.751  -4.707  -0.094  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.387  -6.046   0.551  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.360  -4.730  -1.573  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.139  -7.174  -0.158  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.112  -5.858  -2.282  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.748  -7.197  -1.637  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.922  -2.019   0.286  1.00  0.00           C  
HETATM   46  O   UNL     1      -4.171  -2.028   1.693  1.00  0.00           O  
HETATM   47  C   UNL     1      -4.353  -0.673  -0.300  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.871  -0.525  -0.178  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.259  -0.450   1.300  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.416   0.621   1.995  1.00  0.00           C  
HETATM   51  C   UNL     1      -5.799   2.000   1.456  1.00  0.00           C  
HETATM   52  C   UNL     1      -5.673   0.573   3.502  1.00  0.00           C  
HETATM   53  C   UNL     1      -6.311   0.735  -0.878  1.00  0.00           C  
HETATM   54  O   UNL     1      -5.491   1.447  -1.417  1.00  0.00           O  
HETATM   55  N   UNL     1      -7.616   1.071  -0.904  1.00  0.00           N  
HETATM   56  C   UNL     1      -8.032   2.348  -1.487  1.00  0.00           C  
HETATM   57  C   UNL     1      -9.553   2.481  -1.391  1.00  0.00           C  
HETATM   58  C   UNL     1     -10.000   3.756  -2.110  1.00  0.00           C  
HETATM   59  C   UNL     1      -9.966   2.555   0.081  1.00  0.00           C  
HETATM   60  C   UNL     1     -11.529   3.825  -2.122  1.00  0.00           C  
HETATM   61  H   UNL     1       4.311   0.193  -0.422  1.00  0.00           H  
HETATM   62  H   UNL     1       2.912   1.865  -1.687  1.00  0.00           H  
HETATM   63  H   UNL     1       3.543   3.138  -0.615  1.00  0.00           H  
HETATM   64  H   UNL     1       5.703   4.000  -0.926  1.00  0.00           H  
HETATM   65  H   UNL     1       7.727   4.206  -2.306  1.00  0.00           H  
HETATM   66  H   UNL     1       8.185   2.619  -4.095  1.00  0.00           H  
HETATM   67  H   UNL     1       7.510   0.611  -5.386  1.00  0.00           H  
HETATM   68  H   UNL     1       5.913  -1.187  -5.772  1.00  0.00           H  
HETATM   69  H   UNL     1       3.890  -1.394  -4.393  1.00  0.00           H  
HETATM   70  H   UNL     1       3.431   0.194  -2.603  1.00  0.00           H  
HETATM   71  H   UNL     1       5.962   1.902   0.421  1.00  0.00           H  
HETATM   72  H   UNL     1       4.702   2.511   1.521  1.00  0.00           H  
HETATM   73  H   UNL     1       4.353   1.470   3.559  1.00  0.00           H  
HETATM   74  H   UNL     1       4.887  -0.282   5.197  1.00  0.00           H  
HETATM   75  H   UNL     1       6.244  -2.205   4.571  1.00  0.00           H  
HETATM   76  H   UNL     1       7.531  -3.431   2.840  1.00  0.00           H  
HETATM   77  H   UNL     1       8.343  -3.574   0.548  1.00  0.00           H  
HETATM   78  H   UNL     1       7.809  -1.822  -1.090  1.00  0.00           H  
HETATM   79  H   UNL     1       6.452   0.102  -0.463  1.00  0.00           H  
HETATM   80  H   UNL     1       1.647   0.280  -0.807  1.00  0.00           H  
HETATM   81  H   UNL     1       0.599  -0.123   1.889  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.566   1.954  -0.019  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.376   1.367   1.454  1.00  0.00           H  
HETATM   84  H   UNL     1       1.404   3.628   0.394  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.220   2.032   3.832  1.00  0.00           H  
HETATM   86  H   UNL     1       2.411   4.967   2.247  1.00  0.00           H  
HETATM   87  H   UNL     1       1.403   3.975   4.377  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.022  -0.707   1.450  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.240  -2.226  -1.043  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.926  -3.711   0.472  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.229  -3.602   1.681  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.824  -4.541  -0.004  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.313  -6.213   0.461  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.665  -6.030   1.604  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.619  -3.776  -2.032  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.287  -4.896  -1.662  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.880  -8.128   0.301  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.212  -7.008  -0.069  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.186  -5.691  -2.192  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.834  -5.874  -3.335  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.675  -7.364  -1.727  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.284  -8.001  -2.142  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.490  -2.820  -0.189  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.697  -1.340   2.180  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.864   0.134   0.247  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.066  -0.625  -1.350  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.357  -1.385  -0.638  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.315  -0.194   1.386  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.080  -1.416   1.772  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.360   0.435   1.800  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.885   2.084   1.409  1.00  0.00           H  
HETATM  112  H   UNL     1      -5.403   2.772   2.117  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.381   2.129   0.457  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.400  -0.410   3.887  1.00  0.00           H  
HETATM  115  H   UNL     1      -5.072   1.336   3.997  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.729   0.759   3.697  1.00  0.00           H  
HETATM  117  H   UNL     1      -8.280   0.466  -0.536  1.00  0.00           H  
HETATM  118  H   UNL     1      -7.560   3.167  -0.944  1.00  0.00           H  
HETATM  119  H   UNL     1      -7.730   2.385  -2.534  1.00  0.00           H  
HETATM  120  H   UNL     1     -10.024   1.616  -1.857  1.00  0.00           H  
HETATM  121  H   UNL     1      -9.601   4.626  -1.590  1.00  0.00           H  
HETATM  122  H   UNL     1      -9.629   3.743  -3.135  1.00  0.00           H  
HETATM  123  H   UNL     1     -11.050   2.650   0.149  1.00  0.00           H  
HETATM  124  H   UNL     1      -9.648   1.647   0.593  1.00  0.00           H  
HETATM  125  H   UNL     1      -9.495   3.420   0.547  1.00  0.00           H  
HETATM  126  H   UNL     1     -11.928   2.955  -2.642  1.00  0.00           H  
HETATM  127  H   UNL     1     -11.899   3.838  -1.097  1.00  0.00           H  
HETATM  128  H   UNL     1     -11.847   4.733  -2.635  1.00  0.00           H  
CONECT    1    2    2    3   26                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   15   61                                       
CONECT    4    3    5   62   63                                       
CONECT    5    4    6    6   14                                       
CONECT    6    5    5    7   64                                       
CONECT    7    6    8    8   65                                       
CONECT    8    7    7    9   66                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   67                                       
CONECT   11   10   12   12   68                                       
CONECT   12   11   11   13   69                                       
CONECT   13   12   14   14   70                                       
CONECT   14    5    9   13   13                                       
CONECT   15    3   16   71   72                                       
CONECT   16   15   17   17   25                                       
CONECT   17   16   16   18   73                                       
CONECT   18   17   19   19   74                                       
CONECT   19   18   18   20   75                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   76                                       
CONECT   22   21   23   23   77                                       
CONECT   23   22   22   24   78                                       
CONECT   24   23   25   25   79                                       
CONECT   25   16   20   24   24                                       
CONECT   26   27   80    1                                            
CONECT   27   26   28   30   81                                       
CONECT   28   27   29   29   36                                       
CONECT   29   28   28                                                 
CONECT   30   27   31   82   83                                       
CONECT   31   30   32   33   33                                       
CONECT   32   31   34   34   84                                       
CONECT   33   31   31   35   85                                       
CONECT   34   32   32   35   86                                       
CONECT   35   33   34   87                                            
CONECT   36   37   88   28                                            
CONECT   37   36   38   45   89                                       
CONECT   38   37   39   90   91                                       
CONECT   39   38   40   41   92                                       
CONECT   40   39   42   93   94                                       
CONECT   41   39   43   95   96                                       
CONECT   42   40   44   97   98                                       
CONECT   43   41   44   99  100                                       
CONECT   44   42   43  101  102                                       
CONECT   45   37   46   47  103                                       
CONECT   46   45  104                                                 
CONECT   47   45   48  105  106                                       
CONECT   48   47   49   53  107                                       
CONECT   49   48   50  108  109                                       
CONECT   50   49   51   52  110                                       
CONECT   51   50  111  112  113                                       
CONECT   52   50  114  115  116                                       
CONECT   53   48   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   56  117   53                                            
CONECT   56   55   57  118  119                                       
CONECT   57   56   58   59  120                                       
CONECT   58   57   60  121  122                                       
CONECT   59   57  123  124  125                                       
CONECT   60   58  126  127  128                                       
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    4                                                      
CONECT   64    6                                                      
CONECT   65    7                                                      
CONECT   66    8                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
CONECT   99   43                                                      
CONECT  100   43                                                      
CONECT  101   44                                                      
CONECT  102   44                                                      
CONECT  103   45                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   47                                                      
CONECT  107   48                                                      
CONECT  108   49                                                      
CONECT  109   49                                                      
CONECT  110   50                                                      
CONECT  111   51                                                      
CONECT  112   51                                                      
CONECT  113   51                                                      
CONECT  114   52                                                      
CONECT  115   52                                                      
CONECT  116   52                                                      
CONECT  117   55                                                      
CONECT  118   56                                                      
CONECT  119   56                                                      
CONECT  120   57                                                      
CONECT  121   58                                                      
CONECT  122   58                                                      
CONECT  123   59                                                      
CONECT  124   59                                                      
CONECT  125   59                                                      
CONECT  126   60                                                      
CONECT  127   60                                                      
CONECT  128   60                                                      
MASTER        0    0    0    0    0    0    0    0  128    0  128    0
END
