COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.727  -2.761  -0.586  1.00  0.00           C  
HETATM    2  C   UNL     1       7.541  -4.075   0.177  1.00  0.00           C  
HETATM    3  C   UNL     1       7.844  -3.840   1.660  1.00  0.00           C  
HETATM    4  C   UNL     1       9.235  -3.207   1.781  1.00  0.00           C  
HETATM    5  C   UNL     1       9.294  -1.959   0.898  1.00  0.00           C  
HETATM    6  C   UNL     1      10.668  -1.302   1.039  1.00  0.00           C  
HETATM    7  O   UNL     1       6.194  -4.527   0.030  1.00  0.00           O  
HETATM    8  O   UNL     1       7.821  -5.085   2.361  1.00  0.00           O  
HETATM    9  O   UNL     1       9.479  -2.843   3.141  1.00  0.00           O  
HETATM   10  O   UNL     1       9.078  -2.321  -0.465  1.00  0.00           O  
HETATM   11  O   UNL     1      10.685  -0.071   0.313  1.00  0.00           O  
HETATM   12  C   UNL     1       5.284   1.425  -2.117  1.00  0.00           C  
HETATM   13  C   UNL     1       5.576   0.191  -2.973  1.00  0.00           C  
HETATM   14  C   UNL     1       5.735  -1.027  -2.059  1.00  0.00           C  
HETATM   15  C   UNL     1       6.793  -0.706  -0.996  1.00  0.00           C  
HETATM   16  C   UNL     1       6.410   0.595  -0.288  1.00  0.00           C  
HETATM   17  C   UNL     1       7.443   0.905   0.797  1.00  0.00           C  
HETATM   18  O   UNL     1       4.493  -0.030  -3.879  1.00  0.00           O  
HETATM   19  O   UNL     1       6.155  -2.157  -2.827  1.00  0.00           O  
HETATM   20  O   UNL     1       6.853  -1.769  -0.043  1.00  0.00           O  
HETATM   21  O   UNL     1       6.375   1.666  -1.230  1.00  0.00           O  
HETATM   22  O   UNL     1       7.045   2.076   1.513  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.661   2.536   1.991  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.260   3.911   1.452  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.270   3.726   0.297  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.109   2.852   0.783  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.673   1.556   1.371  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.519   0.661   1.828  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.422   4.598   0.982  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.774   5.000  -0.119  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.509   1.857   2.486  1.00  0.00           O  
HETATM   32  N   UNL     1      -0.225   2.535  -0.346  1.00  0.00           N  
HETATM   33  C   UNL     1       0.813   3.574  -0.374  1.00  0.00           C  
HETATM   34  C   UNL     1       1.357   3.709  -1.798  1.00  0.00           C  
HETATM   35  C   UNL     1       2.183   2.463  -2.126  1.00  0.00           C  
HETATM   36  C   UNL     1       3.435   2.469  -1.247  1.00  0.00           C  
HETATM   37  C   UNL     1       3.060   2.711   0.186  1.00  0.00           C  
HETATM   38  C   UNL     1       1.921   3.195   0.565  1.00  0.00           C  
HETATM   39  C   UNL     1       4.071   2.368   1.249  1.00  0.00           C  
HETATM   40  O   UNL     1       0.271   3.822  -2.720  1.00  0.00           O  
HETATM   41  O   UNL     1       2.563   2.481  -3.504  1.00  0.00           O  
HETATM   42  O   UNL     1       4.094   1.206  -1.357  1.00  0.00           O  
HETATM   43  O   UNL     1       3.600   2.824   2.519  1.00  0.00           O  
HETATM   44  C   UNL     1      -6.826  -1.394   1.510  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.790  -0.386   2.662  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.154   0.917   2.166  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.793   0.592   1.541  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.978  -0.490   0.474  1.00  0.00           C  
HETATM   49  C   UNL     1      -3.628  -0.800  -0.178  1.00  0.00           C  
HETATM   50  O   UNL     1      -7.576  -0.846   0.423  1.00  0.00           O  
HETATM   51  O   UNL     1      -8.121  -0.127   3.114  1.00  0.00           O  
HETATM   52  O   UNL     1      -5.976   1.815   3.263  1.00  0.00           O  
HETATM   53  O   UNL     1      -4.250   1.768   0.939  1.00  0.00           O  
HETATM   54  O   UNL     1      -5.498  -1.675   1.073  1.00  0.00           O  
HETATM   55  O   UNL     1      -3.810  -1.769  -1.212  1.00  0.00           O  
HETATM   56  C   UNL     1     -10.073  -2.989  -2.053  1.00  0.00           C  
HETATM   57  C   UNL     1      -9.912  -3.578  -0.649  1.00  0.00           C  
HETATM   58  C   UNL     1      -9.334  -2.503   0.279  1.00  0.00           C  
HETATM   59  C   UNL     1      -8.050  -1.951  -0.349  1.00  0.00           C  
HETATM   60  C   UNL     1      -8.350  -1.486  -1.776  1.00  0.00           C  
HETATM   61  C   UNL     1      -7.081  -0.905  -2.401  1.00  0.00           C  
HETATM   62  O   UNL     1     -10.938  -1.853  -1.995  1.00  0.00           O  
HETATM   63  O   UNL     1     -11.185  -4.001  -0.157  1.00  0.00           O  
HETATM   64  O   UNL     1      -9.037  -3.076   1.554  1.00  0.00           O  
HETATM   65  O   UNL     1      -8.801  -2.590  -2.559  1.00  0.00           O  
HETATM   66  O   UNL     1      -7.385  -0.376  -3.693  1.00  0.00           O  
HETATM   67  H   UNL     1       7.490  -2.917  -1.638  1.00  0.00           H  
HETATM   68  H   UNL     1       8.224  -4.827  -0.219  1.00  0.00           H  
HETATM   69  H   UNL     1       7.098  -3.168   2.084  1.00  0.00           H  
HETATM   70  H   UNL     1       9.990  -3.922   1.454  1.00  0.00           H  
HETATM   71  H   UNL     1       8.522  -1.256   1.213  1.00  0.00           H  
HETATM   72  H   UNL     1      10.871  -1.106   2.092  1.00  0.00           H  
HETATM   73  H   UNL     1      11.432  -1.969   0.640  1.00  0.00           H  
HETATM   74  H   UNL     1       6.046  -4.662  -0.916  1.00  0.00           H  
HETATM   75  H   UNL     1       6.930  -5.447   2.259  1.00  0.00           H  
HETATM   76  H   UNL     1       9.433  -3.656   3.662  1.00  0.00           H  
HETATM   77  H   UNL     1      11.567   0.309   0.428  1.00  0.00           H  
HETATM   78  H   UNL     1       5.146   2.291  -2.764  1.00  0.00           H  
HETATM   79  H   UNL     1       6.496   0.347  -3.536  1.00  0.00           H  
HETATM   80  H   UNL     1       4.785  -1.247  -1.573  1.00  0.00           H  
HETATM   81  H   UNL     1       7.766  -0.589  -1.474  1.00  0.00           H  
HETATM   82  H   UNL     1       5.427   0.483   0.169  1.00  0.00           H  
HETATM   83  H   UNL     1       7.511   0.063   1.485  1.00  0.00           H  
HETATM   84  H   UNL     1       8.416   1.076   0.334  1.00  0.00           H  
HETATM   85  H   UNL     1       4.428   0.759  -4.434  1.00  0.00           H  
HETATM   86  H   UNL     1       5.462  -2.322  -3.481  1.00  0.00           H  
HETATM   87  H   UNL     1       7.678   2.191   2.235  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.384   2.660   2.797  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.790   4.491   2.246  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.771   3.238  -0.540  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.546   3.386   1.548  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.255   1.036   0.611  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.915  -0.182   2.395  1.00  0.00           H  
HETATM   94  H   UNL     1       0.020   0.290   0.956  1.00  0.00           H  
HETATM   95  H   UNL     1       0.160   1.236   2.458  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.019   4.687   1.738  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.539   5.518  -0.404  1.00  0.00           H  
HETATM   98  H   UNL     1       0.238   1.668  -0.118  1.00  0.00           H  
HETATM   99  H   UNL     1       0.382   4.524  -0.060  1.00  0.00           H  
HETATM  100  H   UNL     1       1.988   4.595  -1.866  1.00  0.00           H  
HETATM  101  H   UNL     1       1.595   1.568  -1.920  1.00  0.00           H  
HETATM  102  H   UNL     1       4.108   3.258  -1.582  1.00  0.00           H  
HETATM  103  H   UNL     1       1.758   3.336   1.623  1.00  0.00           H  
HETATM  104  H   UNL     1       4.213   1.288   1.281  1.00  0.00           H  
HETATM  105  H   UNL     1       5.020   2.852   1.018  1.00  0.00           H  
HETATM  106  H   UNL     1       0.659   3.891  -3.603  1.00  0.00           H  
HETATM  107  H   UNL     1       1.745   2.477  -4.019  1.00  0.00           H  
HETATM  108  H   UNL     1       4.314   2.670   3.153  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.299  -2.315   1.849  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.198  -0.792   3.482  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.800   1.377   1.418  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.114   0.230   2.313  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.673  -0.133  -0.285  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.213   0.113  -0.604  1.00  0.00           H  
HETATM  115  H   UNL     1      -2.944  -1.194   0.573  1.00  0.00           H  
HETATM  116  H   UNL     1      -8.483  -0.972   3.416  1.00  0.00           H  
HETATM  117  H   UNL     1      -6.855   1.992   3.625  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.938  -1.935  -1.596  1.00  0.00           H  
HETATM  119  H   UNL     1     -10.506  -3.741  -2.713  1.00  0.00           H  
HETATM  120  H   UNL     1      -9.233  -4.430  -0.687  1.00  0.00           H  
HETATM  121  H   UNL     1     -10.058  -1.697   0.400  1.00  0.00           H  
HETATM  122  H   UNL     1      -7.290  -2.732  -0.373  1.00  0.00           H  
HETATM  123  H   UNL     1      -9.125  -0.720  -1.750  1.00  0.00           H  
HETATM  124  H   UNL     1      -6.694  -0.109  -1.765  1.00  0.00           H  
HETATM  125  H   UNL     1      -6.330  -1.690  -2.497  1.00  0.00           H  
HETATM  126  H   UNL     1     -11.014  -1.513  -2.897  1.00  0.00           H  
HETATM  127  H   UNL     1     -11.511  -4.675  -0.769  1.00  0.00           H  
HETATM  128  H   UNL     1      -9.871  -3.410   1.912  1.00  0.00           H  
HETATM  129  H   UNL     1      -6.560  -0.020  -4.051  1.00  0.00           H  
CONECT    1    2   10   20   67                                       
CONECT    2    1    3    7   68                                       
CONECT    3    2    4    8   69                                       
CONECT    4    3    5    9   70                                       
CONECT    5    4    6   10   71                                       
CONECT    6    5   11   72   73                                       
CONECT    7    2   74                                                 
CONECT    8    3   75                                                 
CONECT    9    4   76                                                 
CONECT   10    1    5                                                 
CONECT   11    6   77                                                 
CONECT   12   13   21   42   78                                       
CONECT   13   12   14   18   79                                       
CONECT   14   13   15   19   80                                       
CONECT   15   14   16   20   81                                       
CONECT   16   15   17   21   82                                       
CONECT   17   16   22   83   84                                       
CONECT   18   13   85                                                 
CONECT   19   14   86                                                 
CONECT   20    1   15                                                 
CONECT   21   12   16                                                 
CONECT   22   17   87                                                 
CONECT   23   24   31   53   88                                       
CONECT   24   23   25   29   89                                       
CONECT   25   24   26   30   90                                       
CONECT   26   25   27   32   91                                       
CONECT   27   26   28   31   92                                       
CONECT   28   27   93   94   95                                       
CONECT   29   24   96                                                 
CONECT   30   25   97                                                 
CONECT   31   23   27                                                 
CONECT   32   26   33   98                                            
CONECT   33   32   34   38   99                                       
CONECT   34   33   35   40  100                                       
CONECT   35   34   36   41  101                                       
CONECT   36   35   37   42  102                                       
CONECT   37   36   38   38   39                                       
CONECT   38   33   37   37  103                                       
CONECT   39   37   43  104  105                                       
CONECT   40   34  106                                                 
CONECT   41   35  107                                                 
CONECT   42   12   36                                                 
CONECT   43   39  108                                                 
CONECT   44   45   50   54  109                                       
CONECT   45   44   46   51  110                                       
CONECT   46   45   47   52  111                                       
CONECT   47   46   48   53  112                                       
CONECT   48   47   49   54  113                                       
CONECT   49   48   55  114  115                                       
CONECT   50   44   59                                                 
CONECT   51   45  116                                                 
CONECT   52   46  117                                                 
CONECT   53   23   47                                                 
CONECT   54   44   48                                                 
CONECT   55   49  118                                                 
CONECT   56   57   62   65  119                                       
CONECT   57   56   58   63  120                                       
CONECT   58   57   59   64  121                                       
CONECT   59   50   58   60  122                                       
CONECT   60   59   61   65  123                                       
CONECT   61   60   66  124  125                                       
CONECT   62   56  126                                                 
CONECT   63   57  127                                                 
CONECT   64   58  128                                                 
CONECT   65   56   60                                                 
CONECT   66   61  129                                                 
CONECT   67    1                                                      
CONECT   68    2                                                      
CONECT   69    3                                                      
CONECT   70    4                                                      
CONECT   71    5                                                      
CONECT   72    6                                                      
CONECT   73    6                                                      
CONECT   74    7                                                      
CONECT   75    8                                                      
CONECT   76    9                                                      
CONECT   77   11                                                      
CONECT   78   12                                                      
CONECT   79   13                                                      
CONECT   80   14                                                      
CONECT   81   15                                                      
CONECT   82   16                                                      
CONECT   83   17                                                      
CONECT   84   17                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   22                                                      
CONECT   88   23                                                      
CONECT   89   24                                                      
CONECT   90   25                                                      
CONECT   91   26                                                      
CONECT   92   27                                                      
CONECT   93   28                                                      
CONECT   94   28                                                      
CONECT   95   28                                                      
CONECT   96   29                                                      
CONECT   97   30                                                      
CONECT   98   32                                                      
CONECT   99   33                                                      
CONECT  100   34                                                      
CONECT  101   35                                                      
CONECT  102   36                                                      
CONECT  103   38                                                      
CONECT  104   39                                                      
CONECT  105   39                                                      
CONECT  106   40                                                      
CONECT  107   41                                                      
CONECT  108   43                                                      
CONECT  109   44                                                      
CONECT  110   45                                                      
CONECT  111   46                                                      
CONECT  112   47                                                      
CONECT  113   48                                                      
CONECT  114   49                                                      
CONECT  115   49                                                      
CONECT  116   51                                                      
CONECT  117   52                                                      
CONECT  118   55                                                      
CONECT  119   56                                                      
CONECT  120   57                                                      
CONECT  121   58                                                      
CONECT  122   59                                                      
CONECT  123   60                                                      
CONECT  124   61                                                      
CONECT  125   61                                                      
CONECT  126   62                                                      
CONECT  127   63                                                      
CONECT  128   64                                                      
CONECT  129   66                                                      
MASTER        0    0    0    0    0    0    0    0  129    0  129    0
END
