COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.582   7.458   2.395  1.00  0.00           N  
HETATM    2  O   UNL     1      -8.301  -3.267  -0.043  1.00  0.00           O  
HETATM    3  P   UNL     1      -7.091  -2.401  -0.658  1.00  0.00           P  
HETATM    4  C   UNL     1      -7.501   3.444  -0.771  1.00  0.00           C  
HETATM    5  S   UNL     1      10.724  -0.715   0.735  1.00  0.00           S  
HETATM    6  C   UNL     1      -6.821   7.469   1.097  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.050  -2.584  -2.126  1.00  0.00           O  
HETATM    8  P   UNL     1      -4.713  -4.134  -0.303  1.00  0.00           P  
HETATM    9  C   UNL     1      -9.012   3.566  -1.066  1.00  0.00           C  
HETATM   10  O   UNL     1      -9.229   3.903  -2.437  1.00  0.00           O  
HETATM   11  C   UNL     1       9.223  -1.330  -0.075  1.00  0.00           C  
HETATM   12  N   UNL     1      -7.039   6.368   0.409  1.00  0.00           N  
HETATM   13  O   UNL     1      -5.699  -2.894  -0.017  1.00  0.00           O  
HETATM   14  C   UNL     1      -9.569   2.157  -0.760  1.00  0.00           C  
HETATM   15  O   UNL     1     -10.147   1.582  -1.933  1.00  0.00           O  
HETATM   16  P   UNL     1     -11.684   1.111  -2.013  1.00  0.00           P  
HETATM   17  C   UNL     1       8.202  -1.742   0.987  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.026   5.181   1.008  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.360  -5.482   0.293  1.00  0.00           O  
HETATM   20  C   UNL     1      -8.328   1.351  -0.316  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.208   2.037  -0.917  1.00  0.00           O  
HETATM   22  N   UNL     1       6.989  -2.239   0.332  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.776   5.116   2.389  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.518  -4.284  -1.762  1.00  0.00           O  
HETATM   25  C   UNL     1      -8.413  -0.086  -0.834  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.318  -0.844  -0.318  1.00  0.00           O  
HETATM   27  C   UNL     1       5.946  -2.661   1.075  1.00  0.00           C  
HETATM   28  O   UNL     1       6.013  -2.629   2.286  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.549   6.319   3.080  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.298   6.317   4.440  1.00  0.00           N  
HETATM   31  O   UNL     1      -3.291  -3.863   0.403  1.00  0.00           O  
HETATM   32  C   UNL     1       4.699  -3.171   0.401  1.00  0.00           C  
HETATM   33  N   UNL     1      -6.819   3.809   2.741  1.00  0.00           N  
HETATM   34  O   UNL     1     -12.023   0.635  -3.513  1.00  0.00           O  
HETATM   35  C   UNL     1       3.678  -3.583   1.464  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.074   3.085   1.690  1.00  0.00           C  
HETATM   37  O   UNL     1     -11.925  -0.113  -0.994  1.00  0.00           O  
HETATM   38  N   UNL     1       2.465  -4.080   0.809  1.00  0.00           N  
HETATM   39  N   UNL     1      -7.210   3.886   0.595  1.00  0.00           N  
HETATM   40  O   UNL     1     -12.566   2.241  -1.643  1.00  0.00           O  
HETATM   41  C   UNL     1       1.423  -4.502   1.552  1.00  0.00           C  
HETATM   42  O   UNL     1       1.453  -4.389   2.759  1.00  0.00           O  
HETATM   43  C   UNL     1       0.219  -5.113   0.882  1.00  0.00           C  
HETATM   44  O   UNL     1       0.490  -5.298  -0.508  1.00  0.00           O  
HETATM   45  C   UNL     1      -0.984  -4.183   1.049  1.00  0.00           C  
HETATM   46  C   UNL     1      11.796  -0.284  -0.663  1.00  0.00           C  
HETATM   47  C   UNL     1      13.106   0.252  -0.146  1.00  0.00           C  
HETATM   48  C   UNL     1      14.178   0.685  -1.113  1.00  0.00           C  
HETATM   49  C   UNL     1      15.396   1.184  -0.334  1.00  0.00           C  
HETATM   50  C   UNL     1      16.484   1.623  -1.316  1.00  0.00           C  
HETATM   51  C   UNL     1      17.703   2.123  -0.537  1.00  0.00           C  
HETATM   52  C   UNL     1      18.791   2.562  -1.518  1.00  0.00           C  
HETATM   53  C   UNL     1      20.009   3.061  -0.739  1.00  0.00           C  
HETATM   54  C   UNL     1      21.097   3.501  -1.721  1.00  0.00           C  
HETATM   55  C   UNL     1      22.316   4.000  -0.942  1.00  0.00           C  
HETATM   56  C   UNL     1      23.404   4.440  -1.924  1.00  0.00           C  
HETATM   57  O   UNL     1      13.297   0.334   1.044  1.00  0.00           O  
HETATM   58  C   UNL     1      -2.167  -4.732   0.248  1.00  0.00           C  
HETATM   59  C   UNL     1      -1.365  -4.101   2.528  1.00  0.00           C  
HETATM   60  C   UNL     1      -0.625  -2.787   0.536  1.00  0.00           C  
HETATM   61  H   UNL     1      -8.388  -3.195   0.917  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.924   4.028  -1.488  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.838   8.417   0.580  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.470   4.308  -0.412  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.847   4.751  -2.699  1.00  0.00           H  
HETATM   66  H   UNL     1       8.799  -0.544  -0.700  1.00  0.00           H  
HETATM   67  H   UNL     1       9.471  -2.192  -0.695  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.302   2.203   0.045  1.00  0.00           H  
HETATM   69  H   UNL     1       8.625  -2.529   1.612  1.00  0.00           H  
HETATM   70  H   UNL     1       7.953  -0.880   1.606  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.516  -5.455   1.247  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.239   1.359   0.770  1.00  0.00           H  
HETATM   73  H   UNL     1       6.936  -2.263  -0.636  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.351  -0.535  -0.509  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.371  -0.082  -1.923  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.142   7.154   4.906  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.276   5.479   4.929  1.00  0.00           H  
HETATM   78  H   UNL     1       4.276  -2.385  -0.223  1.00  0.00           H  
HETATM   79  H   UNL     1       4.947  -4.033  -0.218  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.935   0.338  -3.635  1.00  0.00           H  
HETATM   81  H   UNL     1       4.101  -4.370   2.089  1.00  0.00           H  
HETATM   82  H   UNL     1       3.430  -2.721   2.083  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.164   2.009   1.686  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.379  -0.890  -1.177  1.00  0.00           H  
HETATM   85  H   UNL     1       2.412  -4.104  -0.159  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.001  -6.077   1.341  1.00  0.00           H  
HETATM   87  H   UNL     1       0.694  -4.479  -0.981  1.00  0.00           H  
HETATM   88  H   UNL     1      11.980  -1.172  -1.268  1.00  0.00           H  
HETATM   89  H   UNL     1      11.308   0.476  -1.273  1.00  0.00           H  
HETATM   90  H   UNL     1      14.467  -0.161  -1.737  1.00  0.00           H  
HETATM   91  H   UNL     1      13.795   1.488  -1.743  1.00  0.00           H  
HETATM   92  H   UNL     1      15.107   2.029   0.290  1.00  0.00           H  
HETATM   93  H   UNL     1      15.779   0.381   0.296  1.00  0.00           H  
HETATM   94  H   UNL     1      16.773   0.778  -1.940  1.00  0.00           H  
HETATM   95  H   UNL     1      16.102   2.427  -1.946  1.00  0.00           H  
HETATM   96  H   UNL     1      17.414   2.968   0.088  1.00  0.00           H  
HETATM   97  H   UNL     1      19.080   1.717  -2.143  1.00  0.00           H  
HETATM   98  H   UNL     1      19.720   3.907  -0.115  1.00  0.00           H  
HETATM   99  H   UNL     1      21.386   2.656  -2.346  1.00  0.00           H  
HETATM  100  H   UNL     1      22.027   4.846  -0.318  1.00  0.00           H  
HETATM  101  H   UNL     1      23.021   5.243  -2.554  1.00  0.00           H  
HETATM  102  H   UNL     1      24.272   4.795  -1.369  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.423  -5.726   0.614  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.896  -4.791  -0.806  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.563  -3.613   3.083  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.284  -3.524   2.636  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.518  -5.106   2.921  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.354  -2.846  -0.519  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.482  -2.125   0.654  1.00  0.00           H  
HETATM  110  H   UNL     1       0.218  -2.397   1.106  1.00  0.00           H  
HETATM  111  H   UNL     1      18.085   1.319   0.094  1.00  0.00           H  
HETATM  112  H   UNL     1      18.408   3.365  -2.149  1.00  0.00           H  
HETATM  113  H   UNL     1      20.392   2.258  -0.109  1.00  0.00           H  
HETATM  114  H   UNL     1      20.715   4.304  -2.351  1.00  0.00           H  
HETATM  115  H   UNL     1      22.698   3.197  -0.312  1.00  0.00           H  
HETATM  116  H   UNL     1      23.693   3.595  -2.548  1.00  0.00           H  
CONECT    1   29    6    6                                            
CONECT    2   61    3                                                 
CONECT    3    2    7    7   13                                       
CONECT    3   26                                                      
CONECT    4   39   21   62    9                                       
CONECT    5   11   46                                                 
CONECT    6    1    1   12   63                                       
CONECT    7    3    3                                                 
CONECT    8   19   13   24   24                                       
CONECT    8   31                                                      
CONECT    9    4   14   10   64                                       
CONECT   10    9   65                                                 
CONECT   11    5   17   66   67                                       
CONECT   12    6   18   18                                            
CONECT   13    3    8                                                 
CONECT   14    9   20   68   15                                       
CONECT   15   14   16                                                 
CONECT   16   15   37   34   40                                       
CONECT   16   40                                                      
CONECT   17   11   22   69   70                                       
CONECT   18   12   12   23   39                                       
CONECT   19    8   71                                                 
CONECT   20   14   21   25   72                                       
CONECT   21    4   20                                                 
CONECT   22   17   27   73                                            
CONECT   23   18   33   29   29                                       
CONECT   24    8    8                                                 
CONECT   25   20   26   74   75                                       
CONECT   26   25    3                                                 
CONECT   27   22   28   28   32                                       
CONECT   28   27   27                                                 
CONECT   29    1   23   23   30                                       
CONECT   30   29   76   77                                            
CONECT   31    8   58                                                 
CONECT   32   27   35   78   79                                       
CONECT   33   23   36   36                                            
CONECT   34   16   80                                                 
CONECT   35   32   38   81   82                                       
CONECT   36   33   33   83   39                                       
CONECT   37   16   84                                                 
CONECT   38   35   85   41                                            
CONECT   39    4   18   36                                            
CONECT   40   16   16                                                 
CONECT   41   38   43   42   42                                       
CONECT   42   41   41                                                 
CONECT   43   41   44   86   45                                       
CONECT   44   43   87                                                 
CONECT   45   43   58   59   60                                       
CONECT   46    5   47   88   89                                       
CONECT   47   46   57   57   48                                       
CONECT   48   47   90   91   49                                       
CONECT   49   48   92   93   50                                       
CONECT   50   49   94   95   51                                       
CONECT   51   50   96   52  111                                       
CONECT   52   51   97   53  112                                       
CONECT   53   52   98   54  113                                       
CONECT   54   53   99   55  114                                       
CONECT   55   54   56  100  115                                       
CONECT   56   55  101  102  116                                       
CONECT   57   47   47                                                 
CONECT   58   31   45  103  104                                       
CONECT   59   45  105  106  107                                       
CONECT   60   45  108  109  110                                       
CONECT   61    2                                                      
CONECT   62    4                                                      
CONECT   63    6                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   14                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   22                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   43                                                      
CONECT   87   44                                                      
CONECT   88   46                                                      
CONECT   89   46                                                      
CONECT   90   48                                                      
CONECT   91   48                                                      
CONECT   92   49                                                      
CONECT   93   49                                                      
CONECT   94   50                                                      
CONECT   95   50                                                      
CONECT   96   51                                                      
CONECT   97   52                                                      
CONECT   98   53                                                      
CONECT   99   54                                                      
CONECT  100   55                                                      
CONECT  101   56                                                      
CONECT  102   56                                                      
CONECT  103   58                                                      
CONECT  104   58                                                      
CONECT  105   59                                                      
CONECT  106   59                                                      
CONECT  107   59                                                      
CONECT  108   60                                                      
CONECT  109   60                                                      
CONECT  110   60                                                      
CONECT  111   51                                                      
CONECT  112   52                                                      
CONECT  113   53                                                      
CONECT  114   54                                                      
CONECT  115   55                                                      
CONECT  116   56                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
