COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      11.495   3.841   1.334  1.00  0.00           N  
HETATM    2  C   UNL     1       8.959  -1.141  -1.269  1.00  0.00           C  
HETATM    3  O   UNL     1       5.654  -1.334  -1.903  1.00  0.00           O  
HETATM    4  P   UNL     1       0.839  -3.978  -0.558  1.00  0.00           P  
HETATM    5  C   UNL     1     -10.816   2.751   0.337  1.00  0.00           C  
HETATM    6  N   UNL     1     -10.756   3.646  -0.632  1.00  0.00           N  
HETATM    7  O   UNL     1      -5.734   0.053   0.920  1.00  0.00           O  
HETATM    8  O   UNL     1       1.049  -5.493  -0.054  1.00  0.00           O  
HETATM    9  N   UNL     1      -9.825   1.925   0.599  1.00  0.00           N  
HETATM   10  O   UNL     1      -8.966  -1.477   0.580  1.00  0.00           O  
HETATM   11  O   UNL     1       1.762  -3.710  -1.850  1.00  0.00           O  
HETATM   12  C   UNL     1      -8.592   2.896  -1.160  1.00  0.00           C  
HETATM   13  N   UNL     1      -7.524   1.264  -0.104  1.00  0.00           N  
HETATM   14  O   UNL     1      -7.272  -2.764   2.079  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.582  -3.770  -0.915  1.00  0.00           O  
HETATM   16  C   UNL     1      -9.677   3.756  -1.401  1.00  0.00           C  
HETATM   17  N   UNL     1      -7.371   2.723  -1.720  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.743   1.766  -1.102  1.00  0.00           C  
HETATM   19  N   UNL     1      -9.624   4.697  -2.414  1.00  0.00           N  
HETATM   20  C   UNL     1      -6.640  -2.169   0.944  1.00  0.00           C  
HETATM   21  N   UNL     1       1.095  -1.443   0.320  1.00  0.00           N  
HETATM   22  C   UNL     1      -7.609  -1.191   0.235  1.00  0.00           C  
HETATM   23  N   UNL     1       4.615  -0.324  -0.218  1.00  0.00           N  
HETATM   24  O   UNL     1       7.459   2.189   2.752  1.00  0.00           O  
HETATM   25  C   UNL     1      -7.168   0.178   0.813  1.00  0.00           C  
HETATM   26  N   UNL     1       9.429   3.006   2.078  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.463  -1.279   1.387  1.00  0.00           C  
HETATM   28  N   UNL     1      10.193   2.569  -0.096  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.161  -1.792   0.769  1.00  0.00           C  
HETATM   30  N   UNL     1       8.913   1.287  -1.613  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.338  -1.562   0.564  1.00  0.00           C  
HETATM   32  N   UNL     1       7.022   0.949   0.344  1.00  0.00           N  
HETATM   33  C   UNL     1      -0.061  -0.839   0.995  1.00  0.00           C  
HETATM   34  C   UNL     1       2.304  -0.632   0.521  1.00  0.00           C  
HETATM   35  C   UNL     1       3.375  -1.055  -0.487  1.00  0.00           C  
HETATM   36  C   UNL     1       1.307  -2.824   0.773  1.00  0.00           C  
HETATM   37  C   UNL     1      10.358   3.125   1.090  1.00  0.00           C  
HETATM   38  C   UNL     1       9.105   1.860  -0.375  1.00  0.00           C  
HETATM   39  C   UNL     1       8.109   1.683   0.609  1.00  0.00           C  
HETATM   40  C   UNL     1       8.297   2.297   1.873  1.00  0.00           C  
HETATM   41  C   UNL     1       8.101   0.061  -1.671  1.00  0.00           C  
HETATM   42  C   UNL     1       6.942   0.195  -0.716  1.00  0.00           C  
HETATM   43  C   UNL     1       5.702  -0.535  -0.985  1.00  0.00           C  
HETATM   44  C   UNL     1       7.575  -0.138  -3.093  1.00  0.00           C  
HETATM   45  S   UNL     1      -2.767  -0.816   1.397  1.00  0.00           S  
HETATM   46  C   UNL     1      -8.705   1.962  -0.117  1.00  0.00           C  
HETATM   47  H   UNL     1      11.631   4.255   2.201  1.00  0.00           H  
HETATM   48  H   UNL     1      12.169   3.932   0.642  1.00  0.00           H  
HETATM   49  H   UNL     1       9.330  -0.999  -0.254  1.00  0.00           H  
HETATM   50  H   UNL     1       8.356  -2.048  -1.312  1.00  0.00           H  
HETATM   51  H   UNL     1       9.801  -1.231  -1.954  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.710   2.698   0.941  1.00  0.00           H  
HETATM   53  H   UNL     1       0.819  -6.162  -0.713  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.260  -2.361   0.319  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.056  -3.288   1.863  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.748   1.420  -1.344  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.379   5.285  -2.570  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.831   4.768  -2.968  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.300  -2.938   0.251  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.470  -1.221  -0.845  1.00  0.00           H  
HETATM   61  H   UNL     1       4.654   0.313   0.513  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.613   0.345   1.794  1.00  0.00           H  
HETATM   63  H   UNL     1       9.583   3.430   2.936  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.385  -1.281   2.475  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.021  -2.840   1.035  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.212  -1.697  -0.316  1.00  0.00           H  
HETATM   67  H   UNL     1       9.298   1.676  -2.414  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.460  -1.473  -0.516  1.00  0.00           H  
HETATM   69  H   UNL     1       0.060  -0.928   2.075  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.131   0.215   0.723  1.00  0.00           H  
HETATM   71  H   UNL     1       2.064   0.421   0.375  1.00  0.00           H  
HETATM   72  H   UNL     1       2.679  -0.783   1.533  1.00  0.00           H  
HETATM   73  H   UNL     1       3.032  -0.830  -1.497  1.00  0.00           H  
HETATM   74  H   UNL     1       3.557  -2.126  -0.396  1.00  0.00           H  
HETATM   75  H   UNL     1       0.692  -3.016   1.653  1.00  0.00           H  
HETATM   76  H   UNL     1       2.357  -2.967   1.026  1.00  0.00           H  
HETATM   77  H   UNL     1       7.130  -1.130  -3.181  1.00  0.00           H  
HETATM   78  H   UNL     1       6.821   0.619  -3.311  1.00  0.00           H  
HETATM   79  H   UNL     1       8.399  -0.046  -3.802  1.00  0.00           H  
HETATM   80  H   UNL     1       2.711  -3.756  -1.671  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.269  -2.616   0.835  1.00  0.00           H  
CONECT    1   37   47   48                                            
CONECT    2   41   49   50   51                                       
CONECT    3   43   43                                                 
CONECT    4    8   11   15   15                                       
CONECT    4   36                                                      
CONECT    5    6    6    9   52                                       
CONECT    6    5    5   16                                            
CONECT    7   25   27                                                 
CONECT    8    4   53                                                 
CONECT    9    5   46   46                                            
CONECT   10   22   54                                                 
CONECT   11    4   80                                                 
CONECT   12   16   16   17   46                                       
CONECT   13   18   25   46                                            
CONECT   14   20   55                                                 
CONECT   15    4    4                                                 
CONECT   16    6   12   12   19                                       
CONECT   17   12   18   18                                            
CONECT   18   13   17   17   56                                       
CONECT   19   16   57   58                                            
CONECT   20   14   22   27   59                                       
CONECT   21   33   34   36                                            
CONECT   22   10   20   25   60                                       
CONECT   23   35   43   61                                            
CONECT   24   40   40                                                 
CONECT   25    7   13   22   62                                       
CONECT   26   37   40   63                                            
CONECT   27    7   20   29   64                                       
CONECT   28   37   37   38                                            
CONECT   29   27   45   65   66                                       
CONECT   30   38   41   67                                            
CONECT   31   33   45   68   81                                       
CONECT   32   39   42   42                                            
CONECT   33   21   31   69   70                                       
CONECT   34   21   35   71   72                                       
CONECT   35   23   34   73   74                                       
CONECT   36    4   21   75   76                                       
CONECT   37    1   26   28   28                                       
CONECT   38   28   30   39   39                                       
CONECT   39   32   38   38   40                                       
CONECT   40   24   24   26   39                                       
CONECT   41    2   30   42   44                                       
CONECT   42   32   32   41   43                                       
CONECT   43    3    3   23   42                                       
CONECT   44   41   77   78   79                                       
CONECT   45   29   31                                                 
CONECT   46    9    9   12   13                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    5                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   14                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   44                                                      
CONECT   78   44                                                      
CONECT   79   44                                                      
CONECT   80   11                                                      
CONECT   81   31                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
