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