COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.153   0.373   2.105  1.00  0.00           O  
HETATM    2  P   UNL     1      -5.468   1.231   1.750  1.00  0.00           P  
HETATM    3  O   UNL     1      -5.069   2.440   0.764  1.00  0.00           O  
HETATM    4  P   UNL     1      -4.315   3.848   0.969  1.00  0.00           P  
HETATM    5  O   UNL     1      -3.878   4.436  -0.465  1.00  0.00           O  
HETATM    6  C   UNL     1      -3.097   5.623  -0.614  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.862   5.896  -2.101  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.118   4.715  -2.726  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.209   6.080  -2.804  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.026   7.168  -2.260  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.777   8.292  -1.798  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.761   7.041  -1.452  1.00  0.00           C  
HETATM   13  N   UNL     1       0.184   6.151  -1.814  1.00  0.00           N  
HETATM   14  C   UNL     1       1.370   5.959  -0.975  1.00  0.00           C  
HETATM   15  C   UNL     1       2.277   4.902  -1.607  1.00  0.00           C  
HETATM   16  C   UNL     1       3.496   4.705  -0.744  1.00  0.00           C  
HETATM   17  N   UNL     1       4.441   3.815  -1.107  1.00  0.00           N  
HETATM   18  C   UNL     1       5.627   3.623  -0.267  1.00  0.00           C  
HETATM   19  C   UNL     1       6.534   2.566  -0.900  1.00  0.00           C  
HETATM   20  S   UNL     1       8.002   2.328   0.139  1.00  0.00           S  
HETATM   21  C   UNL     1       8.937   1.061  -0.761  1.00  0.00           C  
HETATM   22  C   UNL     1      10.207   0.748  -0.012  1.00  0.00           C  
HETATM   23  N   UNL     1      11.066  -0.171  -0.496  1.00  0.00           N  
HETATM   24  C   UNL     1      12.300  -0.475   0.232  1.00  0.00           C  
HETATM   25  C   UNL     1      13.090  -1.544  -0.526  1.00  0.00           C  
HETATM   26  C   UNL     1      14.379  -1.862   0.234  1.00  0.00           C  
HETATM   27  C   UNL     1      15.168  -2.930  -0.525  1.00  0.00           C  
HETATM   28  C   UNL     1      16.458  -3.248   0.235  1.00  0.00           C  
HETATM   29  N   UNL     1      16.126  -3.855   1.527  1.00  0.00           N  
HETATM   30  C   UNL     1      17.293  -4.208  -0.571  1.00  0.00           C  
HETATM   31  O   UNL     1      17.583  -5.293  -0.112  1.00  0.00           O  
HETATM   32  O   UNL     1       3.627   5.346   0.276  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.593   7.740  -0.475  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.112   3.646   1.807  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.308   4.887   1.695  1.00  0.00           O  
HETATM   36  O   UNL     1      -6.049   1.781   2.995  1.00  0.00           O  
HETATM   37  O   UNL     1      -6.549   0.283   1.026  1.00  0.00           O  
HETATM   38  C   UNL     1      -8.146  -1.504   0.713  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.909  -2.627   1.440  1.00  0.00           C  
HETATM   40  O   UNL     1     -12.711  -1.803   2.330  1.00  0.00           O  
HETATM   41  O   UNL     1     -11.219  -3.582   3.564  1.00  0.00           O  
HETATM   42  C   UNL     1      -7.619  -5.293  -2.227  1.00  0.00           C  
HETATM   43  C   UNL     1      16.651  -4.388   3.885  1.00  0.00           C  
HETATM   44  C   UNL     1      16.992  -3.764   2.556  1.00  0.00           C  
HETATM   45  O   UNL     1      18.045  -3.181   2.413  1.00  0.00           O  
HETATM   46  N   UNL     1      17.718  -3.862  -1.803  1.00  0.00           N  
HETATM   47  O   UNL     1      10.457   1.323   1.026  1.00  0.00           O  
HETATM   48  C   UNL     1      -7.179  -0.820   1.681  1.00  0.00           C  
HETATM   49  O   UNL     1      -7.411  -2.113  -0.362  1.00  0.00           O  
HETATM   50  O   UNL     1     -10.316  -2.377   1.409  1.00  0.00           O  
HETATM   51  P   UNL     1     -11.205  -2.200   2.740  1.00  0.00           P  
HETATM   52  O   UNL     1     -10.625  -1.130   3.581  1.00  0.00           O  
HETATM   53  C   UNL     1      -8.568  -3.903   0.633  1.00  0.00           C  
HETATM   54  O   UNL     1      -9.721  -4.733   0.478  1.00  0.00           O  
HETATM   55  C   UNL     1      -8.122  -3.315  -0.730  1.00  0.00           C  
HETATM   56  N   UNL     1      -7.232  -4.247  -1.428  1.00  0.00           N  
HETATM   57  C   UNL     1      -5.870  -4.235  -1.401  1.00  0.00           C  
HETATM   58  N   UNL     1      -5.402  -5.204  -2.132  1.00  0.00           N  
HETATM   59  C   UNL     1      -6.432  -5.895  -2.678  1.00  0.00           C  
HETATM   60  N   UNL     1      -8.786  -5.792  -2.622  1.00  0.00           N  
HETATM   61  C   UNL     1      -8.833  -6.838  -3.419  1.00  0.00           C  
HETATM   62  N   UNL     1      -7.745  -7.441  -3.863  1.00  0.00           N  
HETATM   63  C   UNL     1      -6.534  -7.008  -3.530  1.00  0.00           C  
HETATM   64  N   UNL     1      -5.400  -7.648  -3.998  1.00  0.00           N  
HETATM   65  H   UNL     1      -3.719  -0.019   1.335  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.627   6.465  -0.169  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.138   5.492  -0.113  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.760   3.834  -2.714  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.851   4.956  -3.754  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.213   4.512  -2.153  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.713   6.958  -2.400  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.045   6.215  -3.873  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.828   5.198  -2.639  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.773   7.307  -3.311  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.037   8.237  -0.868  1.00  0.00           H  
HETATM   76  H   UNL     1       0.080   5.638  -2.630  1.00  0.00           H  
HETATM   77  H   UNL     1       1.913   6.901  -0.892  1.00  0.00           H  
HETATM   78  H   UNL     1       1.063   5.628   0.017  1.00  0.00           H  
HETATM   79  H   UNL     1       1.734   3.961  -1.690  1.00  0.00           H  
HETATM   80  H   UNL     1       2.584   5.233  -2.599  1.00  0.00           H  
HETATM   81  H   UNL     1       4.337   3.302  -1.923  1.00  0.00           H  
HETATM   82  H   UNL     1       6.170   4.565  -0.184  1.00  0.00           H  
HETATM   83  H   UNL     1       5.320   3.292   0.725  1.00  0.00           H  
HETATM   84  H   UNL     1       5.991   1.624  -0.983  1.00  0.00           H  
HETATM   85  H   UNL     1       6.841   2.897  -1.892  1.00  0.00           H  
HETATM   86  H   UNL     1       8.335   0.157  -0.847  1.00  0.00           H  
HETATM   87  H   UNL     1       9.184   1.430  -1.756  1.00  0.00           H  
HETATM   88  H   UNL     1      10.867  -0.631  -1.326  1.00  0.00           H  
HETATM   89  H   UNL     1      12.903   0.429   0.319  1.00  0.00           H  
HETATM   90  H   UNL     1      12.054  -0.844   1.228  1.00  0.00           H  
HETATM   91  H   UNL     1      12.487  -2.448  -0.613  1.00  0.00           H  
HETATM   92  H   UNL     1      13.337  -1.175  -1.522  1.00  0.00           H  
HETATM   93  H   UNL     1      14.982  -0.957   0.320  1.00  0.00           H  
HETATM   94  H   UNL     1      14.132  -2.230   1.229  1.00  0.00           H  
HETATM   95  H   UNL     1      14.566  -3.834  -0.611  1.00  0.00           H  
HETATM   96  H   UNL     1      15.415  -2.562  -1.520  1.00  0.00           H  
HETATM   97  H   UNL     1      17.019  -2.328   0.400  1.00  0.00           H  
HETATM   98  H   UNL     1      15.284  -4.321   1.641  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.119   5.067   1.200  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.849  -0.773   0.313  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.562  -2.720   2.469  1.00  0.00           H  
HETATM  102  H   UNL     1     -13.304  -1.680   3.084  1.00  0.00           H  
HETATM  103  H   UNL     1     -11.587  -4.330   3.073  1.00  0.00           H  
HETATM  104  H   UNL     1      16.506  -5.461   3.756  1.00  0.00           H  
HETATM  105  H   UNL     1      17.465  -4.214   4.588  1.00  0.00           H  
HETATM  106  H   UNL     1      15.734  -3.942   4.271  1.00  0.00           H  
HETATM  107  H   UNL     1      17.486  -2.995  -2.170  1.00  0.00           H  
HETATM  108  H   UNL     1      18.255  -4.481  -2.322  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.420  -1.534   2.002  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.729  -0.460   2.550  1.00  0.00           H  
HETATM  111  H   UNL     1      -7.754  -4.455   1.104  1.00  0.00           H  
HETATM  112  H   UNL     1      -9.557  -5.544  -0.021  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.988  -3.075  -1.347  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.267  -3.525  -0.854  1.00  0.00           H  
HETATM  115  H   UNL     1      -9.798  -7.218  -3.720  1.00  0.00           H  
HETATM  116  H   UNL     1      -4.521  -7.329  -3.738  1.00  0.00           H  
HETATM  117  H   UNL     1      -5.483  -8.415  -4.585  1.00  0.00           H  
CONECT    1    2   65                                                 
CONECT    2    1   36   36   37                                       
CONECT    2    3                                                      
CONECT    3    2    4                                                 
CONECT    4    3   34   34    5                                       
CONECT    4   35                                                      
CONECT    5    4    6                                                 
CONECT    6    5    7   66   67                                       
CONECT    7    6   10    9    8                                       
CONECT    8    7   68   69   70                                       
CONECT    9    7   71   72   73                                       
CONECT   10    7   12   11   74                                       
CONECT   11   10   75                                                 
CONECT   12   10   33   33   13                                       
CONECT   13   12   14   76                                            
CONECT   14   13   15   77   78                                       
CONECT   15   14   16   79   80                                       
CONECT   16   15   17   32   32                                       
CONECT   17   16   18   81                                            
CONECT   18   17   19   82   83                                       
CONECT   19   18   20   84   85                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   86   87                                       
CONECT   22   21   47   47   23                                       
CONECT   23   22   24   88                                            
CONECT   24   23   25   89   90                                       
CONECT   25   24   26   91   92                                       
CONECT   26   25   27   93   94                                       
CONECT   27   26   28   95   96                                       
CONECT   28   27   30   29   97                                       
CONECT   29   28   44   98                                            
CONECT   30   28   31   31   46                                       
CONECT   31   30   30                                                 
CONECT   32   16   16                                                 
CONECT   33   12   12                                                 
CONECT   34    4    4                                                 
CONECT   35    4   99                                                 
CONECT   36    2    2                                                 
CONECT   37    2   48                                                 
CONECT   38   39   48   49  100                                       
CONECT   39   38   53   50  101                                       
CONECT   40   51  102                                                 
CONECT   41   51  103                                                 
CONECT   42   56   59   59   60                                       
CONECT   43   44  104  105  106                                       
CONECT   44   29   43   45   45                                       
CONECT   45   44   44                                                 
CONECT   46   30  107  108                                            
CONECT   47   22   22                                                 
CONECT   48   37   38  109  110                                       
CONECT   49   38   55                                                 
CONECT   50   39   51                                                 
CONECT   51   40   41   50   52                                       
CONECT   51   52                                                      
CONECT   52   51   51                                                 
CONECT   53   39   54   55  111                                       
CONECT   54   53  112                                                 
CONECT   55   49   53   56  113                                       
CONECT   56   42   55   57                                            
CONECT   57   56   58   58  114                                       
CONECT   58   57   57   59                                            
CONECT   59   42   42   58   63                                       
CONECT   60   42   61   61                                            
CONECT   61   60   60   62  115                                       
CONECT   62   61   63   63                                            
CONECT   63   59   62   62   64                                       
CONECT   64   63  116  117                                            
CONECT   65    1                                                      
CONECT   66    6                                                      
CONECT   67    6                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71    9                                                      
CONECT   72    9                                                      
CONECT   73    9                                                      
CONECT   74   10                                                      
CONECT   75   11                                                      
CONECT   76   13                                                      
CONECT   77   14                                                      
CONECT   78   14                                                      
CONECT   79   15                                                      
CONECT   80   15                                                      
CONECT   81   17                                                      
CONECT   82   18                                                      
CONECT   83   18                                                      
CONECT   84   19                                                      
CONECT   85   19                                                      
CONECT   86   21                                                      
CONECT   87   21                                                      
CONECT   88   23                                                      
CONECT   89   24                                                      
CONECT   90   24                                                      
CONECT   91   25                                                      
CONECT   92   25                                                      
CONECT   93   26                                                      
CONECT   94   26                                                      
CONECT   95   27                                                      
CONECT   96   27                                                      
CONECT   97   28                                                      
CONECT   98   29                                                      
CONECT   99   35                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   43                                                      
CONECT  105   43                                                      
CONECT  106   43                                                      
CONECT  107   46                                                      
CONECT  108   46                                                      
CONECT  109   48                                                      
CONECT  110   48                                                      
CONECT  111   53                                                      
CONECT  112   54                                                      
CONECT  113   55                                                      
CONECT  114   57                                                      
CONECT  115   61                                                      
CONECT  116   64                                                      
CONECT  117   64                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
