COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       9.466   1.562  -0.890  1.00  0.00           S  
HETATM    2  C   UNL     1       8.060   2.187   0.070  1.00  0.00           C  
HETATM    3  C   UNL     1       6.892   2.486  -0.872  1.00  0.00           C  
HETATM    4  N   UNL     1       5.756   2.991  -0.096  1.00  0.00           N  
HETATM    5  C   UNL     1       4.609   3.323  -0.720  1.00  0.00           C  
HETATM    6  O   UNL     1       4.516   3.204  -1.923  1.00  0.00           O  
HETATM    7  C   UNL     1       3.441   3.843   0.078  1.00  0.00           C  
HETATM    8  C   UNL     1       2.272   4.142  -0.864  1.00  0.00           C  
HETATM    9  N   UNL     1       1.137   4.647  -0.089  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.011   4.979  -0.712  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.074   4.948  -1.923  1.00  0.00           O  
HETATM   12  C   UNL     1      10.730   1.270   0.379  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.216   5.388   0.095  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.827   5.611   1.452  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.267   4.278   0.042  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.425   4.626   0.978  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.791   4.140  -1.389  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.635   2.956   0.482  1.00  0.00           C  
HETATM   19  N   UNL     1     -10.002  -8.332   0.314  1.00  0.00           N  
HETATM   20  O   UNL     1      -9.052   3.221   1.143  1.00  0.00           O  
HETATM   21  P   UNL     1      -8.257   2.039   1.545  1.00  0.00           P  
HETATM   22  C   UNL     1      11.981   0.740  -0.272  1.00  0.00           C  
HETATM   23  O   UNL     1      12.017   0.575  -1.467  1.00  0.00           O  
HETATM   24  C   UNL     1      -9.989  -3.183  -0.368  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.328  -7.641  -0.763  1.00  0.00           C  
HETATM   26  O   UNL     1      -8.581   1.672   3.079  1.00  0.00           O  
HETATM   27  P   UNL     1      -5.765   3.625   1.792  1.00  0.00           P  
HETATM   28  C   UNL     1      13.188   0.414   0.571  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.486  -2.785  -0.344  1.00  0.00           C  
HETATM   30  O   UNL     1     -12.240  -3.579  -1.262  1.00  0.00           O  
HETATM   31  N   UNL     1     -10.280  -6.326  -0.801  1.00  0.00           N  
HETATM   32  O   UNL     1      -6.689   2.368   1.391  1.00  0.00           O  
HETATM   33  C   UNL     1      14.313  -0.103  -0.328  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.437  -1.307  -0.804  1.00  0.00           C  
HETATM   35  O   UNL     1     -11.725  -1.208  -2.200  1.00  0.00           O  
HETATM   36  P   UNL     1     -12.946  -0.335  -2.783  1.00  0.00           P  
HETATM   37  C   UNL     1      -9.893  -5.632   0.264  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.407   3.549   3.359  1.00  0.00           O  
HETATM   39  C   UNL     1      15.538  -0.433   0.527  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.986  -0.872  -0.520  1.00  0.00           C  
HETATM   41  O   UNL     1      -9.316  -1.990   0.087  1.00  0.00           O  
HETATM   42  C   UNL     1      -9.535  -6.321   1.436  1.00  0.00           C  
HETATM   43  O   UNL     1      -6.494   4.882   1.512  1.00  0.00           O  
HETATM   44  C   UNL     1      16.663  -0.950  -0.372  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.979   0.321   0.437  1.00  0.00           C  
HETATM   46  O   UNL     1      -8.639   0.791   0.603  1.00  0.00           O  
HETATM   47  C   UNL     1      -9.603  -7.725   1.427  1.00  0.00           C  
HETATM   48  N   UNL     1      -9.264  -8.457   2.551  1.00  0.00           N  
HETATM   49  O   UNL     1      -4.407   3.589   0.929  1.00  0.00           O  
HETATM   50  C   UNL     1      17.888  -1.280   0.483  1.00  0.00           C  
HETATM   51  N   UNL     1      -9.186  -5.390   2.355  1.00  0.00           N  
HETATM   52  O   UNL     1     -12.892  -0.345  -4.392  1.00  0.00           O  
HETATM   53  C   UNL     1      19.013  -1.797  -0.416  1.00  0.00           C  
HETATM   54  C   UNL     1      -9.303  -4.202   1.836  1.00  0.00           C  
HETATM   55  O   UNL     1     -14.342  -0.967  -2.288  1.00  0.00           O  
HETATM   56  C   UNL     1      20.238  -2.128   0.439  1.00  0.00           C  
HETATM   57  N   UNL     1      -9.737  -4.299   0.547  1.00  0.00           N  
HETATM   58  O   UNL     1     -12.834   1.058  -2.294  1.00  0.00           O  
HETATM   59  C   UNL     1      21.363  -2.645  -0.460  1.00  0.00           C  
HETATM   60  C   UNL     1      22.588  -2.975   0.396  1.00  0.00           C  
HETATM   61  C   UNL     1      23.713  -3.492  -0.503  1.00  0.00           C  
HETATM   62  C   UNL     1      24.938  -3.822   0.352  1.00  0.00           C  
HETATM   63  C   UNL     1      26.063  -4.339  -0.547  1.00  0.00           C  
HETATM   64  C   UNL     1      27.288  -4.669   0.308  1.00  0.00           C  
HETATM   65  H   UNL     1       7.756   1.437   0.800  1.00  0.00           H  
HETATM   66  H   UNL     1       8.352   3.101   0.588  1.00  0.00           H  
HETATM   67  H   UNL     1       7.196   3.237  -1.602  1.00  0.00           H  
HETATM   68  H   UNL     1       6.600   1.573  -1.390  1.00  0.00           H  
HETATM   69  H   UNL     1       5.831   3.087   0.866  1.00  0.00           H  
HETATM   70  H   UNL     1       3.136   3.093   0.808  1.00  0.00           H  
HETATM   71  H   UNL     1       3.732   4.756   0.596  1.00  0.00           H  
HETATM   72  H   UNL     1       2.577   4.892  -1.594  1.00  0.00           H  
HETATM   73  H   UNL     1       1.981   3.228  -1.382  1.00  0.00           H  
HETATM   74  H   UNL     1       1.211   4.743   0.874  1.00  0.00           H  
HETATM   75  H   UNL     1      10.954   2.207   0.889  1.00  0.00           H  
HETATM   76  H   UNL     1      10.358   0.543   1.100  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.636   6.305  -0.319  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.444   4.836   1.884  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.052   4.724   1.997  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.876   5.568   0.664  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.982   3.816  -2.043  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.595   3.403  -1.412  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.171   5.102  -1.731  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.261   3.054   1.502  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.383   2.164   0.444  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.809   2.707  -0.185  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.676  -3.438  -1.381  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.646  -8.175  -1.647  1.00  0.00           H  
HETATM   89  H   UNL     1      13.521   1.313   1.090  1.00  0.00           H  
HETATM   90  H   UNL     1      12.926  -0.351   1.301  1.00  0.00           H  
HETATM   91  H   UNL     1     -11.894  -2.866   0.663  1.00  0.00           H  
HETATM   92  H   UNL     1     -12.226  -4.526  -1.067  1.00  0.00           H  
HETATM   93  H   UNL     1      13.979  -1.001  -0.847  1.00  0.00           H  
HETATM   94  H   UNL     1      14.575   0.663  -1.059  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.138  -0.705  -0.226  1.00  0.00           H  
HETATM   96  H   UNL     1      15.872   0.466   1.046  1.00  0.00           H  
HETATM   97  H   UNL     1      15.276  -1.198   1.257  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.490  -0.605  -1.453  1.00  0.00           H  
HETATM   99  H   UNL     1      16.329  -1.849  -0.891  1.00  0.00           H  
HETATM  100  H   UNL     1      16.925  -0.185  -1.102  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.595   1.120   0.026  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.378   0.014   1.404  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.315  -9.425   2.532  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.975  -8.002   3.357  1.00  0.00           H  
HETATM  105  H   UNL     1      18.222  -0.382   1.002  1.00  0.00           H  
HETATM  106  H   UNL     1      17.626  -2.046   1.214  1.00  0.00           H  
HETATM  107  H   UNL     1      18.679  -2.696  -0.935  1.00  0.00           H  
HETATM  108  H   UNL     1      19.275  -1.032  -1.146  1.00  0.00           H  
HETATM  109  H   UNL     1      -9.089  -3.277   2.350  1.00  0.00           H  
HETATM  110  H   UNL     1      20.572  -1.229   0.958  1.00  0.00           H  
HETATM  111  H   UNL     1      19.976  -2.893   1.170  1.00  0.00           H  
HETATM  112  H   UNL     1      21.029  -3.543  -0.979  1.00  0.00           H  
HETATM  113  H   UNL     1      21.625  -1.879  -1.190  1.00  0.00           H  
HETATM  114  H   UNL     1      22.922  -2.076   0.914  1.00  0.00           H  
HETATM  115  H   UNL     1      22.326  -3.740   1.126  1.00  0.00           H  
HETATM  116  H   UNL     1      23.379  -4.391  -1.022  1.00  0.00           H  
HETATM  117  H   UNL     1      23.975  -2.727  -1.234  1.00  0.00           H  
HETATM  118  H   UNL     1      25.272  -2.924   0.871  1.00  0.00           H  
HETATM  119  H   UNL     1      24.676  -4.587   1.082  1.00  0.00           H  
HETATM  120  H   UNL     1      25.729  -5.238  -1.066  1.00  0.00           H  
HETATM  121  H   UNL     1      26.325  -3.574  -1.278  1.00  0.00           H  
HETATM  122  H   UNL     1      28.089  -5.038  -0.333  1.00  0.00           H  
HETATM  123  H   UNL     1      27.622  -3.771   0.827  1.00  0.00           H  
HETATM  124  H   UNL     1      27.026  -5.435   1.038  1.00  0.00           H  
HETATM  125  H   UNL     1      -8.094   0.905   3.411  1.00  0.00           H  
HETATM  126  H   UNL     1      -4.928   2.750   3.616  1.00  0.00           H  
HETATM  127  H   UNL     1     -13.600   0.162  -4.812  1.00  0.00           H  
HETATM  128  H   UNL     1     -14.483  -1.880  -2.573  1.00  0.00           H  
CONECT    1    2   12                                                 
CONECT    2    1    3   65   66                                       
CONECT    3    2    4   67   68                                       
CONECT    4    3    5   69                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   70   71                                       
CONECT    8    7    9   72   73                                       
CONECT    9    8   10   74                                            
CONECT   10    9   11   11   13                                       
CONECT   11   10   10                                                 
CONECT   12    1   22   75   76                                       
CONECT   13   10   14   15   77                                       
CONECT   14   13   78                                                 
CONECT   15   13   16   17   18                                       
CONECT   16   15   49   79   80                                       
CONECT   17   15   81   82   83                                       
CONECT   18   15   84   85   86                                       
CONECT   19   25   25   47                                            
CONECT   20   21   21                                                 
CONECT   21   20   20   26   32                                       
CONECT   21   46                                                      
CONECT   22   12   23   23   28                                       
CONECT   23   22   22                                                 
CONECT   24   29   41   57   87                                       
CONECT   25   19   19   31   88                                       
CONECT   26   21  125                                                 
CONECT   27   32   38   43   43                                       
CONECT   27   49                                                      
CONECT   28   22   33   89   90                                       
CONECT   29   24   30   34   91                                       
CONECT   30   29   92                                                 
CONECT   31   25   37   37                                            
CONECT   32   21   27                                                 
CONECT   33   28   39   93   94                                       
CONECT   34   29   35   40   95                                       
CONECT   35   34   36                                                 
CONECT   36   35   52   55   58                                       
CONECT   36   58                                                      
CONECT   37   31   31   42   57                                       
CONECT   38   27  126                                                 
CONECT   39   33   44   96   97                                       
CONECT   40   34   41   45   98                                       
CONECT   41   24   40                                                 
CONECT   42   37   47   47   51                                       
CONECT   43   27   27                                                 
CONECT   44   39   50   99  100                                       
CONECT   45   40   46  101  102                                       
CONECT   46   21   45                                                 
CONECT   47   19   42   42   48                                       
CONECT   48   47  103  104                                            
CONECT   49   16   27                                                 
CONECT   50   44   53  105  106                                       
CONECT   51   42   54   54                                            
CONECT   52   36  127                                                 
CONECT   53   50   56  107  108                                       
CONECT   54   51   51   57  109                                       
CONECT   55   36  128                                                 
CONECT   56   53   59  110  111                                       
CONECT   57   24   37   54                                            
CONECT   58   36   36                                                 
CONECT   59   56   60  112  113                                       
CONECT   60   59   61  114  115                                       
CONECT   61   60   62  116  117                                       
CONECT   62   61   63  118  119                                       
CONECT   63   62   64  120  121                                       
CONECT   64   63  122  123  124                                       
CONECT   65    2                                                      
CONECT   66    2                                                      
CONECT   67    3                                                      
CONECT   68    3                                                      
CONECT   69    4                                                      
CONECT   70    7                                                      
CONECT   71    7                                                      
CONECT   72    8                                                      
CONECT   73    8                                                      
CONECT   74    9                                                      
CONECT   75   12                                                      
CONECT   76   12                                                      
CONECT   77   13                                                      
CONECT   78   14                                                      
CONECT   79   16                                                      
CONECT   80   16                                                      
CONECT   81   17                                                      
CONECT   82   17                                                      
CONECT   83   17                                                      
CONECT   84   18                                                      
CONECT   85   18                                                      
CONECT   86   18                                                      
CONECT   87   24                                                      
CONECT   88   25                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   29                                                      
CONECT   92   30                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   34                                                      
CONECT   96   39                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   44                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   45                                                      
CONECT  103   48                                                      
CONECT  104   48                                                      
CONECT  105   50                                                      
CONECT  106   50                                                      
CONECT  107   53                                                      
CONECT  108   53                                                      
CONECT  109   54                                                      
CONECT  110   56                                                      
CONECT  111   56                                                      
CONECT  112   59                                                      
CONECT  113   59                                                      
CONECT  114   60                                                      
CONECT  115   60                                                      
CONECT  116   61                                                      
CONECT  117   61                                                      
CONECT  118   62                                                      
CONECT  119   62                                                      
CONECT  120   63                                                      
CONECT  121   63                                                      
CONECT  122   64                                                      
CONECT  123   64                                                      
CONECT  124   64                                                      
CONECT  125   26                                                      
CONECT  126   38                                                      
CONECT  127   52                                                      
CONECT  128   55                                                      
MASTER        0    0    0    0    0    0    0    0  128    0  128    0
END
