COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -10.901   1.574  -0.769  1.00  0.00           N  
HETATM    2  N   UNL     1       1.196  -0.833  -0.665  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.062   0.203  -0.173  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.940  -0.767   0.201  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.523  -0.931  -0.063  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.206  -0.390  -0.558  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.083  -1.359  -0.184  1.00  0.00           C  
HETATM    8  C   UNL     1       3.633  -1.041  -1.039  1.00  0.00           C  
HETATM    9  C   UNL     1       4.951  -1.802   0.942  1.00  0.00           C  
HETATM   10  O   UNL     1       7.912   2.559  -0.456  1.00  0.00           O  
HETATM   11  P   UNL     1       8.135   1.134   0.260  1.00  0.00           P  
HETATM   12  O   UNL     1       8.948   0.262  -0.619  1.00  0.00           O  
HETATM   13  O   UNL     1       8.902   1.350   1.659  1.00  0.00           O  
HETATM   14  O   UNL     1       6.708   0.440   0.531  1.00  0.00           O  
HETATM   15  C   UNL     1       5.833   0.023  -0.519  1.00  0.00           C  
HETATM   16  C   UNL     1       4.569  -0.594   0.085  1.00  0.00           C  
HETATM   17  C   UNL     1       3.861   0.446   0.956  1.00  0.00           C  
HETATM   18  O   UNL     1       3.378   0.061  -1.913  1.00  0.00           O  
HETATM   19  C   UNL     1       2.333  -1.524  -0.448  1.00  0.00           C  
HETATM   20  O   UNL     1       2.311  -2.534   0.222  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.559  -1.989   0.530  1.00  0.00           O  
HETATM   22  N   UNL     1      -3.660  -0.240  -0.280  1.00  0.00           N  
HETATM   23  S   UNL     1      -7.644  -0.447   0.421  1.00  0.00           S  
HETATM   24  C   UNL     1      -8.695   0.793  -0.113  1.00  0.00           C  
HETATM   25  O   UNL     1      -8.249   1.751  -0.711  1.00  0.00           O  
HETATM   26  C   UNL     1     -10.174   0.696   0.158  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.458   1.129   1.598  1.00  0.00           C  
HETATM   28  H   UNL     1     -11.898   1.479  -0.651  1.00  0.00           H  
HETATM   29  H   UNL     1     -10.614   2.535  -0.657  1.00  0.00           H  
HETATM   30  H   UNL     1       1.226   0.013  -1.139  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.873   1.173   0.287  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.100   0.316  -1.256  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.902  -0.879   1.284  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.129  -1.737  -0.259  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.244  -0.277  -1.641  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.017   0.580  -0.098  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.273  -2.329  -0.644  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.046  -1.472   0.899  1.00  0.00           H  
HETATM   39  H   UNL     1       4.100  -1.850  -1.601  1.00  0.00           H  
HETATM   40  H   UNL     1       5.705  -1.507   1.671  1.00  0.00           H  
HETATM   41  H   UNL     1       4.067  -2.172   1.463  1.00  0.00           H  
HETATM   42  H   UNL     1       5.351  -2.589   0.303  1.00  0.00           H  
HETATM   43  H   UNL     1       7.386   3.182   0.064  1.00  0.00           H  
HETATM   44  H   UNL     1       9.771   1.764   1.571  1.00  0.00           H  
HETATM   45  H   UNL     1       5.561   0.884  -1.129  1.00  0.00           H  
HETATM   46  H   UNL     1       6.338  -0.718  -1.139  1.00  0.00           H  
HETATM   47  H   UNL     1       4.528   0.765   1.757  1.00  0.00           H  
HETATM   48  H   UNL     1       3.589   1.307   0.345  1.00  0.00           H  
HETATM   49  H   UNL     1       2.961   0.007   1.386  1.00  0.00           H  
HETATM   50  H   UNL     1       2.962   0.819  -1.480  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.631   0.605  -0.754  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.503  -0.333   0.016  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.130   2.158   1.740  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.528   1.059   1.794  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.919   0.477   2.286  1.00  0.00           H  
CONECT    1   26   28   29                                            
CONECT    2   19    7   30                                            
CONECT    3    4   23   31   32                                       
CONECT    4   22    3   33   34                                       
CONECT    5    6   21   21   22                                       
CONECT    6    7    5   35   36                                       
CONECT    7    2    6   37   38                                       
CONECT    8   16   18   19   39                                       
CONECT    9   16   40   41   42                                       
CONECT   10   11   43                                                 
CONECT   11   12   12   13   14                                       
CONECT   11   10                                                      
CONECT   12   11   11                                                 
CONECT   13   11   44                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   45   46                                       
CONECT   16   17    9   15    8                                       
CONECT   17   16   47   48   49                                       
CONECT   18    8   50                                                 
CONECT   19    8   20   20    2                                       
CONECT   20   19   19                                                 
CONECT   21    5    5                                                 
CONECT   22    5    4   51                                            
CONECT   23    3   24                                                 
CONECT   24   23   26   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   27   24    1   52                                       
CONECT   27   26   53   54   55                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   22                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
