COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.468  -2.285   0.304  1.00  0.00           O  
HETATM    2  C   UNL     1       7.963  -1.474  -0.446  1.00  0.00           C  
HETATM    3  N   UNL     1       8.578  -0.298  -0.681  1.00  0.00           N  
HETATM    4  C   UNL     1       9.811   0.058   0.035  1.00  0.00           C  
HETATM    5  C   UNL     1       9.622   1.430   0.690  1.00  0.00           C  
HETATM    6  C   UNL     1       9.198   2.445  -0.375  1.00  0.00           C  
HETATM    7  C   UNL     1       9.044   3.803   0.260  1.00  0.00           C  
HETATM    8  C   UNL     1       8.131   3.989   1.281  1.00  0.00           C  
HETATM    9  C   UNL     1       7.990   5.236   1.862  1.00  0.00           C  
HETATM   10  C   UNL     1       8.760   6.295   1.423  1.00  0.00           C  
HETATM   11  C   UNL     1       9.674   6.109   0.401  1.00  0.00           C  
HETATM   12  C   UNL     1      10.514   7.264  -0.079  1.00  0.00           C  
HETATM   13  N   UNL     1      11.761   7.317   0.696  1.00  0.00           N  
HETATM   14  C   UNL     1       9.819   4.861  -0.176  1.00  0.00           C  
HETATM   15  C   UNL     1       7.864   2.015  -0.989  1.00  0.00           C  
HETATM   16  C   UNL     1       8.033   0.649  -1.663  1.00  0.00           C  
HETATM   17  C   UNL     1       6.676  -1.779  -1.107  1.00  0.00           C  
HETATM   18  C   UNL     1       6.516  -1.541  -2.473  1.00  0.00           C  
HETATM   19  C   UNL     1       5.313  -1.827  -3.087  1.00  0.00           C  
HETATM   20  C   UNL     1       4.264  -2.349  -2.353  1.00  0.00           C  
HETATM   21  C   UNL     1       5.619  -2.311  -0.368  1.00  0.00           C  
HETATM   22  C   UNL     1       4.413  -2.589  -0.993  1.00  0.00           C  
HETATM   23  N   UNL     1       3.348  -3.117  -0.255  1.00  0.00           N  
HETATM   24  C   UNL     1       2.078  -2.837  -0.609  1.00  0.00           C  
HETATM   25  O   UNL     1       1.858  -2.056  -1.511  1.00  0.00           O  
HETATM   26  C   UNL     1       0.931  -3.494   0.114  1.00  0.00           C  
HETATM   27  C   UNL     1       1.081  -5.017   0.075  1.00  0.00           C  
HETATM   28  O   UNL     1       2.135  -5.492   0.915  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.246  -5.771   0.261  1.00  0.00           C  
HETATM   30  C   UNL     1       0.248  -6.747  -0.820  1.00  0.00           C  
HETATM   31  C   UNL     1       1.120  -5.596  -1.349  1.00  0.00           C  
HETATM   32  O   UNL     1       0.867  -3.030   1.482  1.00  0.00           O  
HETATM   33  C   UNL     1       0.205  -1.762   1.396  1.00  0.00           C  
HETATM   34  C   UNL     1       1.094  -0.535   1.599  1.00  0.00           C  
HETATM   35  C   UNL     1       0.701  -0.604   3.086  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.577  -1.336   2.638  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.328  -3.098  -0.473  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.595  -1.790   0.088  1.00  0.00           C  
HETATM   39  O   UNL     1      -0.140  -0.765  -0.797  1.00  0.00           O  
HETATM   40  C   UNL     1      -2.067  -1.629   0.368  1.00  0.00           C  
HETATM   41  O   UNL     1      -2.695  -0.746  -0.176  1.00  0.00           O  
HETATM   42  N   UNL     1      -2.685  -2.467   1.225  1.00  0.00           N  
HETATM   43  C   UNL     1      -4.069  -2.377   1.414  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.891  -2.014   0.359  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.270  -1.927   0.553  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.812  -2.205   1.809  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.985  -2.565   2.853  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.620  -2.657   2.659  1.00  0.00           C  
HETATM   49  C   UNL     1      -7.154  -1.540  -0.567  1.00  0.00           C  
HETATM   50  O   UNL     1      -6.942  -1.970  -1.684  1.00  0.00           O  
HETATM   51  N   UNL     1      -8.194  -0.711  -0.350  1.00  0.00           N  
HETATM   52  C   UNL     1      -8.381  -0.073   0.960  1.00  0.00           C  
HETATM   53  C   UNL     1      -8.502   1.441   0.758  1.00  0.00           C  
HETATM   54  C   UNL     1      -9.618   1.730  -0.248  1.00  0.00           C  
HETATM   55  C   UNL     1      -9.273   1.090  -1.594  1.00  0.00           C  
HETATM   56  C   UNL     1      -9.158  -0.423  -1.421  1.00  0.00           C  
HETATM   57  C   UNL     1      -9.762   3.220  -0.423  1.00  0.00           C  
HETATM   58  C   UNL     1      -8.695   3.968  -0.884  1.00  0.00           C  
HETATM   59  C   UNL     1      -8.827   5.335  -1.044  1.00  0.00           C  
HETATM   60  C   UNL     1     -10.026   5.953  -0.744  1.00  0.00           C  
HETATM   61  C   UNL     1     -11.093   5.206  -0.283  1.00  0.00           C  
HETATM   62  C   UNL     1     -10.963   3.838  -0.128  1.00  0.00           C  
HETATM   63  C   UNL     1     -12.401   5.880   0.044  1.00  0.00           C  
HETATM   64  N   UNL     1     -13.252   5.905  -1.153  1.00  0.00           N  
HETATM   65  H   UNL     1      10.016  -0.688   0.803  1.00  0.00           H  
HETATM   66  H   UNL     1      10.643   0.098  -0.667  1.00  0.00           H  
HETATM   67  H   UNL     1       8.850   1.364   1.457  1.00  0.00           H  
HETATM   68  H   UNL     1      10.560   1.749   1.144  1.00  0.00           H  
HETATM   69  H   UNL     1       9.958   2.492  -1.154  1.00  0.00           H  
HETATM   70  H   UNL     1       7.529   3.162   1.624  1.00  0.00           H  
HETATM   71  H   UNL     1       7.276   5.381   2.660  1.00  0.00           H  
HETATM   72  H   UNL     1       8.649   7.269   1.876  1.00  0.00           H  
HETATM   73  H   UNL     1      10.748   7.129  -1.135  1.00  0.00           H  
HETATM   74  H   UNL     1       9.963   8.195   0.056  1.00  0.00           H  
HETATM   75  H   UNL     1      12.259   6.441   0.639  1.00  0.00           H  
HETATM   76  H   UNL     1      12.343   8.084   0.393  1.00  0.00           H  
HETATM   77  H   UNL     1      10.533   4.716  -0.974  1.00  0.00           H  
HETATM   78  H   UNL     1       7.109   1.943  -0.206  1.00  0.00           H  
HETATM   79  H   UNL     1       7.551   2.750  -1.731  1.00  0.00           H  
HETATM   80  H   UNL     1       8.723   0.743  -2.502  1.00  0.00           H  
HETATM   81  H   UNL     1       7.068   0.291  -2.019  1.00  0.00           H  
HETATM   82  H   UNL     1       7.333  -1.133  -3.050  1.00  0.00           H  
HETATM   83  H   UNL     1       5.191  -1.642  -4.144  1.00  0.00           H  
HETATM   84  H   UNL     1       3.325  -2.570  -2.839  1.00  0.00           H  
HETATM   85  H   UNL     1       5.739  -2.502   0.688  1.00  0.00           H  
HETATM   86  H   UNL     1       3.523  -3.684   0.512  1.00  0.00           H  
HETATM   87  H   UNL     1       2.244  -6.453   0.903  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.354  -6.228   1.245  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.122  -5.195  -0.037  1.00  0.00           H  
HETATM   90  H   UNL     1       0.823  -7.583  -0.424  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.532  -7.060  -1.514  1.00  0.00           H  
HETATM   92  H   UNL     1       0.618  -4.971  -2.088  1.00  0.00           H  
HETATM   93  H   UNL     1       2.114  -5.911  -1.665  1.00  0.00           H  
HETATM   94  H   UNL     1       2.151  -0.726   1.416  1.00  0.00           H  
HETATM   95  H   UNL     1       0.730   0.357   1.090  1.00  0.00           H  
HETATM   96  H   UNL     1       1.370  -1.222   3.685  1.00  0.00           H  
HETATM   97  H   UNL     1       0.511   0.372   3.533  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.411  -0.668   2.423  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.855  -2.168   3.287  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.611  -0.736  -1.641  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.171  -3.131   1.709  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.466  -1.800  -0.610  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.879  -2.138   1.963  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.406  -2.780   3.824  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.977  -2.940   3.481  1.00  0.00           H  
HETATM  106  H   UNL     1      -9.291  -0.453   1.424  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.525  -0.290   1.598  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.737   1.917   1.710  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.558   1.833   0.378  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.556   1.316   0.122  1.00  0.00           H  
HETATM  111  H   UNL     1     -10.057   1.316  -2.316  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.323   1.486  -1.952  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.813  -0.871  -2.353  1.00  0.00           H  
HETATM  114  H   UNL     1     -10.132  -0.833  -1.155  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.758   3.485  -1.118  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.993   5.919  -1.404  1.00  0.00           H  
HETATM  117  H   UNL     1     -10.129   7.021  -0.869  1.00  0.00           H  
HETATM  118  H   UNL     1     -11.798   3.253   0.228  1.00  0.00           H  
HETATM  119  H   UNL     1     -12.905   5.328   0.837  1.00  0.00           H  
HETATM  120  H   UNL     1     -12.210   6.900   0.376  1.00  0.00           H  
HETATM  121  H   UNL     1     -13.391   4.975  -1.517  1.00  0.00           H  
HETATM  122  H   UNL     1     -14.135   6.353  -0.959  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   17    1    1                                       
CONECT    3    4   16    2                                            
CONECT    4    5    3   65   66                                       
CONECT    5    6    4   67   68                                       
CONECT    6    7    5   15   69                                       
CONECT    7    8    8   14    6                                       
CONECT    8    9    7    7   70                                       
CONECT    9   10   10    8   71                                       
CONECT   10    9    9   11   72                                       
CONECT   11   10   12   14   14                                       
CONECT   12   11   13   73   74                                       
CONECT   13   12   75   76                                            
CONECT   14   11   11    7   77                                       
CONECT   15    6   16   78   79                                       
CONECT   16   15    3   80   81                                       
CONECT   17   18    2   21   21                                       
CONECT   18   19   19   17   82                                       
CONECT   19   18   18   20   83                                       
CONECT   20   19   22   22   84                                       
CONECT   21   17   17   22   85                                       
CONECT   22   20   20   21   23                                       
CONECT   23   22   24   86                                            
CONECT   24   23   26   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   37   32   24   27                                       
CONECT   27   26   28   31   29                                       
CONECT   28   27   87                                                 
CONECT   29   27   30   88   89                                       
CONECT   30   31   29   90   91                                       
CONECT   31   27   30   92   93                                       
CONECT   32   33   26                                                 
CONECT   33   34   36   38   32                                       
CONECT   34   35   33   94   95                                       
CONECT   35   34   36   96   97                                       
CONECT   36   35   33   98   99                                       
CONECT   37   38   26                                                 
CONECT   38   39   33   37   40                                       
CONECT   39   38  100                                                 
CONECT   40   38   42   41   41                                       
CONECT   41   40   40                                                 
CONECT   42   40   43  101                                            
CONECT   43   48   42   44   44                                       
CONECT   44   43   43   45  102                                       
CONECT   45   46   46   44   49                                       
CONECT   46   47   45   45  103                                       
CONECT   47   48   48   46  104                                       
CONECT   48   47   47   43  105                                       
CONECT   49   45   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   56   52                                            
CONECT   52   51   53  106  107                                       
CONECT   53   52   54  108  109                                       
CONECT   54   55   53   57  110                                       
CONECT   55   56   54  111  112                                       
CONECT   56   51   55  113  114                                       
CONECT   57   54   62   62   58                                       
CONECT   58   57   59   59  115                                       
CONECT   59   58   58   60  116                                       
CONECT   60   61   61   59  117                                       
CONECT   61   62   63   60   60                                       
CONECT   62   57   57   61  118                                       
CONECT   63   61   64  119  120                                       
CONECT   64   63  121  122                                            
CONECT   65    4                                                      
CONECT   66    4                                                      
CONECT   67    5                                                      
CONECT   68    5                                                      
CONECT   69    6                                                      
CONECT   70    8                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   12                                                      
CONECT   74   12                                                      
CONECT   75   13                                                      
CONECT   76   13                                                      
CONECT   77   14                                                      
CONECT   78   15                                                      
CONECT   79   15                                                      
CONECT   80   16                                                      
CONECT   81   16                                                      
CONECT   82   18                                                      
CONECT   83   19                                                      
CONECT   84   20                                                      
CONECT   85   21                                                      
CONECT   86   23                                                      
CONECT   87   28                                                      
CONECT   88   29                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   31                                                      
CONECT   93   31                                                      
CONECT   94   34                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   36                                                      
CONECT   99   36                                                      
CONECT  100   39                                                      
CONECT  101   42                                                      
CONECT  102   44                                                      
CONECT  103   46                                                      
CONECT  104   47                                                      
CONECT  105   48                                                      
CONECT  106   52                                                      
CONECT  107   52                                                      
CONECT  108   53                                                      
CONECT  109   53                                                      
CONECT  110   54                                                      
CONECT  111   55                                                      
CONECT  112   55                                                      
CONECT  113   56                                                      
CONECT  114   56                                                      
CONECT  115   58                                                      
CONECT  116   59                                                      
CONECT  117   60                                                      
CONECT  118   62                                                      
CONECT  119   63                                                      
CONECT  120   63                                                      
CONECT  121   64                                                      
CONECT  122   64                                                      
MASTER        0    0    0    0    0    0    0    0  122    0  122    0
END
