COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.068   3.560   0.884  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.376   3.024  -0.516  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.939   1.557  -0.597  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.470   1.459  -0.169  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.304   2.114   1.204  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.847   1.993   1.654  1.00  0.00           C  
HETATM    7  O   UNL     1      -8.758   2.772   1.856  1.00  0.00           O  
HETATM    8  O   UNL     1      -9.779   3.120  -0.769  1.00  0.00           O  
HETATM    9  O   UNL     1      -8.080   1.085  -1.938  1.00  0.00           O  
HETATM   10  O   UNL     1      -6.085   0.085  -0.093  1.00  0.00           O  
HETATM   11  O   UNL     1      -6.665   3.492   1.130  1.00  0.00           O  
HETATM   12  O   UNL     1      -4.715   2.502   2.983  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.794  -0.337  -1.427  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.686  -1.863  -1.465  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.580  -2.309  -0.502  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.293  -1.554  -0.852  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.582  -0.052  -0.859  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.294   0.713  -1.173  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.931  -2.440  -1.067  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.367  -3.715  -0.635  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.261  -1.852   0.151  1.00  0.00           N  
HETATM   22  O   UNL     1      -4.563   0.246  -1.850  1.00  0.00           O  
HETATM   23  C   UNL     1       3.566  -2.608   0.975  1.00  0.00           C  
HETATM   24  C   UNL     1       4.360  -2.083   2.173  1.00  0.00           C  
HETATM   25  C   UNL     1       4.561  -0.572   2.018  1.00  0.00           C  
HETATM   26  C   UNL     1       5.194  -0.302   0.648  1.00  0.00           C  
HETATM   27  C   UNL     1       4.338  -0.960  -0.436  1.00  0.00           C  
HETATM   28  C   UNL     1       4.945  -0.667  -1.809  1.00  0.00           C  
HETATM   29  O   UNL     1       3.637  -2.347   3.378  1.00  0.00           O  
HETATM   30  O   UNL     1       5.425  -0.092   3.049  1.00  0.00           O  
HETATM   31  O   UNL     1       5.256   1.107   0.418  1.00  0.00           O  
HETATM   32  O   UNL     1       4.296  -2.371  -0.228  1.00  0.00           O  
HETATM   33  O   UNL     1       4.098  -1.201  -2.829  1.00  0.00           O  
HETATM   34  C   UNL     1       6.458   1.574   1.034  1.00  0.00           C  
HETATM   35  C   UNL     1       6.375   3.090   1.228  1.00  0.00           C  
HETATM   36  C   UNL     1       6.170   3.759  -0.134  1.00  0.00           C  
HETATM   37  C   UNL     1       7.275   3.284  -1.085  1.00  0.00           C  
HETATM   38  C   UNL     1       7.290   1.753  -1.105  1.00  0.00           C  
HETATM   39  C   UNL     1       8.369   1.270  -2.077  1.00  0.00           C  
HETATM   40  O   UNL     1       5.275   3.402   2.085  1.00  0.00           O  
HETATM   41  O   UNL     1       6.239   5.179   0.010  1.00  0.00           O  
HETATM   42  O   UNL     1       7.020   3.777  -2.401  1.00  0.00           O  
HETATM   43  O   UNL     1       7.572   1.255   0.201  1.00  0.00           O  
HETATM   44  O   UNL     1       8.304  -0.153  -2.192  1.00  0.00           O  
HETATM   45  C   UNL     1      -1.514  -3.016  -0.344  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.935  -3.789   0.843  1.00  0.00           C  
HETATM   47  O   UNL     1      -1.957  -4.012   1.817  1.00  0.00           O  
HETATM   48  C   UNL     1       0.194  -2.961   1.461  1.00  0.00           C  
HETATM   49  O   UNL     1       0.641  -3.576   2.670  1.00  0.00           O  
HETATM   50  C   UNL     1       1.349  -2.895   0.459  1.00  0.00           C  
HETATM   51  O   UNL     1       2.307  -1.935   0.907  1.00  0.00           O  
HETATM   52  C   UNL     1       0.837  -2.495  -0.894  1.00  0.00           C  
HETATM   53  C   UNL     1      -0.407  -2.551  -1.245  1.00  0.00           C  
HETATM   54  C   UNL     1       1.835  -1.995  -1.907  1.00  0.00           C  
HETATM   55  O   UNL     1       1.191  -1.840  -3.173  1.00  0.00           O  
HETATM   56  H   UNL     1      -8.398   4.596   0.956  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.831   3.609  -1.258  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.555   0.955   0.070  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.843   1.974  -0.896  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.949   1.609   1.924  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.546   0.945   1.635  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.210   2.566   0.981  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.538   3.142   2.722  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.011   4.057  -0.708  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.016   1.165  -2.166  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.784   2.407   3.227  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.595  -0.013  -2.092  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.441  -2.186  -2.477  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.873  -2.079   0.523  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.944  -1.865  -1.837  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.953   0.251   0.120  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.524   1.768  -1.318  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.596   0.604  -0.342  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.844   0.310  -2.080  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.597  -2.128  -1.695  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.205  -4.147  -0.418  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.619  -1.073   0.146  1.00  0.00           H  
HETATM   78  H   UNL     1       3.399  -3.678   1.092  1.00  0.00           H  
HETATM   79  H   UNL     1       5.330  -2.578   2.213  1.00  0.00           H  
HETATM   80  H   UNL     1       3.598  -0.066   2.082  1.00  0.00           H  
HETATM   81  H   UNL     1       6.200  -0.720   0.622  1.00  0.00           H  
HETATM   82  H   UNL     1       3.326  -0.557  -0.393  1.00  0.00           H  
HETATM   83  H   UNL     1       5.039   0.411  -1.943  1.00  0.00           H  
HETATM   84  H   UNL     1       5.930  -1.128  -1.877  1.00  0.00           H  
HETATM   85  H   UNL     1       3.533  -3.307   3.436  1.00  0.00           H  
HETATM   86  H   UNL     1       4.989  -0.282   3.891  1.00  0.00           H  
HETATM   87  H   UNL     1       4.473  -0.927  -3.676  1.00  0.00           H  
HETATM   88  H   UNL     1       6.580   1.091   2.003  1.00  0.00           H  
HETATM   89  H   UNL     1       7.301   3.451   1.676  1.00  0.00           H  
HETATM   90  H   UNL     1       5.196   3.479  -0.536  1.00  0.00           H  
HETATM   91  H   UNL     1       8.239   3.653  -0.737  1.00  0.00           H  
HETATM   92  H   UNL     1       6.318   1.385  -1.432  1.00  0.00           H  
HETATM   93  H   UNL     1       8.205   1.722  -3.056  1.00  0.00           H  
HETATM   94  H   UNL     1       9.351   1.560  -1.703  1.00  0.00           H  
HETATM   95  H   UNL     1       5.445   2.963   2.929  1.00  0.00           H  
HETATM   96  H   UNL     1       5.528   5.434   0.614  1.00  0.00           H  
HETATM   97  H   UNL     1       7.019   4.742  -2.343  1.00  0.00           H  
HETATM   98  H   UNL     1       8.998  -0.415  -2.812  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.187  -3.665  -0.905  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.542  -4.746   0.499  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.545  -4.489   2.550  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.164  -1.953   1.673  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.116  -3.596   3.271  1.00  0.00           H  
HETATM  104  H   UNL     1       1.823  -3.874   0.390  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.665  -2.245  -2.248  1.00  0.00           H  
HETATM  106  H   UNL     1       2.233  -1.034  -1.581  1.00  0.00           H  
HETATM  107  H   UNL     1       2.650  -2.713  -1.999  1.00  0.00           H  
HETATM  108  H   UNL     1       1.879  -1.601  -3.809  1.00  0.00           H  
CONECT    1    2    7   11   56                                       
CONECT    2    1    3    8   57                                       
CONECT    3    2    4    9   58                                       
CONECT    4    3    5   10   59                                       
CONECT    5    4    6   11   60                                       
CONECT    6    5   12   61   62                                       
CONECT    7    1   63                                                 
CONECT    8    2   64                                                 
CONECT    9    3   65                                                 
CONECT   10    4   13                                                 
CONECT   11    1    5                                                 
CONECT   12    6   66                                                 
CONECT   13   10   14   22   67                                       
CONECT   14   13   15   19   68                                       
CONECT   15   14   16   20   69                                       
CONECT   16   15   17   21   70                                       
CONECT   17   16   18   22   71                                       
CONECT   18   17   72   73   74                                       
CONECT   19   14   75                                                 
CONECT   20   15   76                                                 
CONECT   21   16   45   77                                            
CONECT   22   13   17                                                 
CONECT   23   24   32   51   78                                       
CONECT   24   23   25   29   79                                       
CONECT   25   24   26   30   80                                       
CONECT   26   25   27   31   81                                       
CONECT   27   26   28   32   82                                       
CONECT   28   27   33   83   84                                       
CONECT   29   24   85                                                 
CONECT   30   25   86                                                 
CONECT   31   26   34                                                 
CONECT   32   23   27                                                 
CONECT   33   28   87                                                 
CONECT   34   31   35   43   88                                       
CONECT   35   34   36   40   89                                       
CONECT   36   35   37   41   90                                       
CONECT   37   36   38   42   91                                       
CONECT   38   37   39   43   92                                       
CONECT   39   38   44   93   94                                       
CONECT   40   35   95                                                 
CONECT   41   36   96                                                 
CONECT   42   37   97                                                 
CONECT   43   34   38                                                 
CONECT   44   39   98                                                 
CONECT   45   21   46   53   99                                       
CONECT   46   45   47   48  100                                       
CONECT   47   46  101                                                 
CONECT   48   46   49   50  102                                       
CONECT   49   48  103                                                 
CONECT   50   48   51   52  104                                       
CONECT   51   23   50                                                 
CONECT   52   50   53   53   54                                       
CONECT   53   45   52   52  105                                       
CONECT   54   52   55  106  107                                       
CONECT   55   54  108                                                 
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   44                                                      
CONECT   99   45                                                      
CONECT  100   46                                                      
CONECT  101   47                                                      
CONECT  102   48                                                      
CONECT  103   49                                                      
CONECT  104   50                                                      
CONECT  105   53                                                      
CONECT  106   54                                                      
CONECT  107   54                                                      
CONECT  108   55                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
