COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.533  -3.020   0.733  1.00  0.00           C  
HETATM    2  C   UNL     1       7.974  -4.393   1.181  1.00  0.00           C  
HETATM    3  C   UNL     1       6.183  -2.763   1.136  1.00  0.00           C  
HETATM    4  C   UNL     1       7.423  -0.952   0.104  1.00  0.00           C  
HETATM    5  C   UNL     1       6.470  -4.249   0.833  1.00  0.00           C  
HETATM    6  C   UNL     1       5.239  -2.199   0.106  1.00  0.00           C  
HETATM    7  O   UNL     1       5.205  -2.673  -1.010  1.00  0.00           O  
HETATM    8  N   UNL     1       7.472  -2.050   1.079  1.00  0.00           N  
HETATM    9  C   UNL     1       5.573  -2.625   2.532  1.00  0.00           C  
HETATM   10  N   UNL     1       4.431  -1.168   0.425  1.00  0.00           N  
HETATM   11  C   UNL     1       3.442  -0.686  -0.543  1.00  0.00           C  
HETATM   12  C   UNL     1       3.154   0.770  -0.283  1.00  0.00           C  
HETATM   13  O   UNL     1       3.600   1.309   0.708  1.00  0.00           O  
HETATM   14  C   UNL     1       2.152  -1.495  -0.398  1.00  0.00           C  
HETATM   15  C   UNL     1       1.686  -1.458   1.059  1.00  0.00           C  
HETATM   16  C   UNL     1       2.410  -2.945  -0.814  1.00  0.00           C  
HETATM   17  C   UNL     1       1.059  -0.095   1.358  1.00  0.00           C  
HETATM   18  N   UNL     1       2.400   1.473  -1.151  1.00  0.00           N  
HETATM   19  C   UNL     1       1.741   0.791  -2.267  1.00  0.00           C  
HETATM   20  C   UNL     1       2.240   2.919  -0.978  1.00  0.00           C  
HETATM   21  C   UNL     1       2.896   3.648  -2.152  1.00  0.00           C  
HETATM   22  C   UNL     1       2.729   5.159  -1.972  1.00  0.00           C  
HETATM   23  C   UNL     1       4.385   3.302  -2.200  1.00  0.00           C  
HETATM   24  C   UNL     1       0.750   3.265  -0.931  1.00  0.00           C  
HETATM   25  C   UNL     1       0.186   2.904   0.445  1.00  0.00           C  
HETATM   26  O   UNL     1       0.709   3.824   1.439  1.00  0.00           O  
HETATM   27  C   UNL     1       1.638   3.347   2.283  1.00  0.00           C  
HETATM   28  O   UNL     1       2.009   2.201   2.187  1.00  0.00           O  
HETATM   29  C   UNL     1       2.218   4.240   3.349  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.317   3.000   0.413  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.115   1.992   0.380  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.418   2.283   0.356  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.473   1.256   0.317  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.643   1.586   0.297  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.679   3.610   0.371  1.00  0.00           C  
HETATM   36  S   UNL     1      -2.198   4.463   0.423  1.00  0.00           S  
HETATM   37  N   UNL     1      -4.141  -0.050   0.305  1.00  0.00           N  
HETATM   38  C   UNL     1      -3.004  -1.751  -4.285  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.316  -2.172  -4.113  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.702  -1.731  -1.906  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.556  -2.369  -0.351  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.196  -1.533  -3.176  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.590  -2.640   2.682  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.183  -1.069   0.156  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.007  -2.155  -1.738  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.814  -2.373  -2.840  1.00  0.00           C  
HETATM   47  N   UNL     1      -2.495  -1.553  -5.571  1.00  0.00           N  
HETATM   48  C   UNL     1      -5.849  -1.319   1.511  1.00  0.00           C  
HETATM   49  C   UNL     1      -7.020  -2.287   1.333  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.104  -1.626   0.479  1.00  0.00           C  
HETATM   51  O   UNL     1      -7.109  -2.166   3.684  1.00  0.00           O  
HETATM   52  O   UNL     1      -8.632  -3.482   2.772  1.00  0.00           O  
HETATM   53  H   UNL     1       9.450  -2.788   1.273  1.00  0.00           H  
HETATM   54  H   UNL     1       8.714  -3.015  -0.342  1.00  0.00           H  
HETATM   55  H   UNL     1       8.431  -5.204   0.614  1.00  0.00           H  
HETATM   56  H   UNL     1       8.115  -4.541   2.252  1.00  0.00           H  
HETATM   57  H   UNL     1       7.145  -1.346  -0.873  1.00  0.00           H  
HETATM   58  H   UNL     1       6.685  -0.216   0.423  1.00  0.00           H  
HETATM   59  H   UNL     1       8.403  -0.479   0.040  1.00  0.00           H  
HETATM   60  H   UNL     1       6.295  -4.468  -0.221  1.00  0.00           H  
HETATM   61  H   UNL     1       5.863  -4.896   1.467  1.00  0.00           H  
HETATM   62  H   UNL     1       5.386  -1.573   2.745  1.00  0.00           H  
HETATM   63  H   UNL     1       4.633  -3.177   2.574  1.00  0.00           H  
HETATM   64  H   UNL     1       6.264  -3.029   3.272  1.00  0.00           H  
HETATM   65  H   UNL     1       4.505  -0.745   1.294  1.00  0.00           H  
HETATM   66  H   UNL     1       3.834  -0.804  -1.553  1.00  0.00           H  
HETATM   67  H   UNL     1       1.380  -1.066  -1.038  1.00  0.00           H  
HETATM   68  H   UNL     1       0.947  -2.242   1.224  1.00  0.00           H  
HETATM   69  H   UNL     1       2.540  -1.618   1.717  1.00  0.00           H  
HETATM   70  H   UNL     1       3.102  -3.407  -0.110  1.00  0.00           H  
HETATM   71  H   UNL     1       1.469  -3.496  -0.813  1.00  0.00           H  
HETATM   72  H   UNL     1       2.841  -2.965  -1.815  1.00  0.00           H  
HETATM   73  H   UNL     1       0.764  -0.053   2.407  1.00  0.00           H  
HETATM   74  H   UNL     1       1.786   0.692   1.154  1.00  0.00           H  
HETATM   75  H   UNL     1       0.182   0.048   0.728  1.00  0.00           H  
HETATM   76  H   UNL     1       0.744   0.473  -1.961  1.00  0.00           H  
HETATM   77  H   UNL     1       1.660   1.474  -3.114  1.00  0.00           H  
HETATM   78  H   UNL     1       2.327  -0.081  -2.558  1.00  0.00           H  
HETATM   79  H   UNL     1       2.715   3.228  -0.047  1.00  0.00           H  
HETATM   80  H   UNL     1       2.421   3.339  -3.083  1.00  0.00           H  
HETATM   81  H   UNL     1       3.203   5.468  -1.041  1.00  0.00           H  
HETATM   82  H   UNL     1       3.196   5.678  -2.808  1.00  0.00           H  
HETATM   83  H   UNL     1       1.667   5.405  -1.938  1.00  0.00           H  
HETATM   84  H   UNL     1       4.504   2.226  -2.328  1.00  0.00           H  
HETATM   85  H   UNL     1       4.853   3.822  -3.036  1.00  0.00           H  
HETATM   86  H   UNL     1       4.860   3.612  -1.269  1.00  0.00           H  
HETATM   87  H   UNL     1       0.619   4.332  -1.108  1.00  0.00           H  
HETATM   88  H   UNL     1       0.222   2.701  -1.699  1.00  0.00           H  
HETATM   89  H   UNL     1       0.480   1.886   0.702  1.00  0.00           H  
HETATM   90  H   UNL     1       1.765   5.229   3.280  1.00  0.00           H  
HETATM   91  H   UNL     1       2.013   3.814   4.331  1.00  0.00           H  
HETATM   92  H   UNL     1       3.295   4.323   3.207  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.662   4.058   0.357  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.212  -0.315   0.394  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.947  -2.342  -4.973  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.075  -1.561  -1.043  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.748  -2.668   0.317  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.314  -3.152  -0.377  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.174  -1.210  -3.306  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.930  -0.724  -0.558  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.833  -2.704  -2.706  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.577  -1.262  -5.690  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.060  -1.705  -6.344  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.122  -1.750   2.199  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.216  -0.375   1.914  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.670  -3.193   0.838  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.507  -0.763   1.008  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.673  -1.303  -0.469  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.903  -2.342   0.289  1.00  0.00           H  
HETATM  110  H   UNL     1      -8.962  -3.678   3.659  1.00  0.00           H  
CONECT    1    2    8   53   54                                       
CONECT    2    5    1   55   56                                       
CONECT    3    6    5    8    9                                       
CONECT    4    8   57   58   59                                       
CONECT    5    3    2   60   61                                       
CONECT    6   10    7    7    3                                       
CONECT    7    6    6                                                 
CONECT    8    4    3    1                                            
CONECT    9    3   62   63   64                                       
CONECT   10   11    6   65                                            
CONECT   11   14   12   10   66                                       
CONECT   12   11   13   13   18                                       
CONECT   13   12   12                                                 
CONECT   14   16   15   11   67                                       
CONECT   15   17   14   68   69                                       
CONECT   16   14   70   71   72                                       
CONECT   17   15   73   74   75                                       
CONECT   18   12   19   20                                            
CONECT   19   18   76   77   78                                       
CONECT   20   24   18   21   79                                       
CONECT   21   20   22   23   80                                       
CONECT   22   21   81   82   83                                       
CONECT   23   21   84   85   86                                       
CONECT   24   25   20   87   88                                       
CONECT   25   30   26   24   89                                       
CONECT   26   27   25                                                 
CONECT   27   28   28   29   26                                       
CONECT   28   27   27                                                 
CONECT   29   27   90   91   92                                       
CONECT   30   36   31   31   25                                       
CONECT   31   32   30   30                                            
CONECT   32   35   35   33   31                                       
CONECT   33   37   32   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   36   32   32   93                                       
CONECT   36   35   30                                                 
CONECT   37   44   33   94                                            
CONECT   38   39   39   42   47                                       
CONECT   39   46   38   38   95                                       
CONECT   40   45   42   42   96                                       
CONECT   41   44   45   97   98                                       
CONECT   42   40   40   38   99                                       
CONECT   43   49   51   51   52                                       
CONECT   44   48   41   37  100                                       
CONECT   45   41   46   46   40                                       
CONECT   46   45   45   39  101                                       
CONECT   47   38  102  103                                            
CONECT   48   49   44  104  105                                       
CONECT   49   50   48   43  106                                       
CONECT   50   49  107  108  109                                       
CONECT   51   43   43                                                 
CONECT   52   43  110                                                 
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    2                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   17                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   22                                                      
CONECT   82   22                                                      
CONECT   83   22                                                      
CONECT   84   23                                                      
CONECT   85   23                                                      
CONECT   86   23                                                      
CONECT   87   24                                                      
CONECT   88   24                                                      
CONECT   89   25                                                      
CONECT   90   29                                                      
CONECT   91   29                                                      
CONECT   92   29                                                      
CONECT   93   35                                                      
CONECT   94   37                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   41                                                      
CONECT   98   41                                                      
CONECT   99   42                                                      
CONECT  100   44                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
CONECT  105   48                                                      
CONECT  106   49                                                      
CONECT  107   50                                                      
CONECT  108   50                                                      
CONECT  109   50                                                      
CONECT  110   52                                                      
MASTER        0    0    0    0    0    0    0    0  110    0  110    0
END
