COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.091   0.036  -0.106  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.036  -0.555  -0.805  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.942  -1.933  -0.806  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.847  -2.644  -0.149  1.00  0.00           N  
HETATM    5  N   UNL     1      -6.959  -0.745   0.530  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.831  -2.056   0.502  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.595  -1.185  -0.923  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.836  -2.907   1.235  1.00  0.00           C  
HETATM    9  C   UNL     1       1.426   0.591   0.157  1.00  0.00           C  
HETATM   10  C   UNL     1       0.289   0.030   1.013  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.028   0.289  -1.540  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.882   0.144  -0.273  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.017   0.646   0.581  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.217   2.100   0.106  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.226   1.414  -0.069  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.044   0.813  -0.589  1.00  0.00           N  
HETATM   17  O   UNL     1       7.194  -2.291   0.775  1.00  0.00           O  
HETATM   18  O   UNL     1       3.986   0.141  -1.579  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.273   3.181  -0.827  1.00  0.00           O  
HETATM   20  O   UNL     1       7.722   0.270   0.501  1.00  0.00           O  
HETATM   21  O   UNL     1       6.793  -1.093  -1.410  1.00  0.00           O  
HETATM   22  O   UNL     1       4.427   1.915   0.162  1.00  0.00           O  
HETATM   23  O   UNL     1       2.664   0.007   0.567  1.00  0.00           O  
HETATM   24  O   UNL     1       5.229  -0.566   0.500  1.00  0.00           O  
HETATM   25  P   UNL     1       6.736  -0.924   0.059  1.00  0.00           P  
HETATM   26  P   UNL     1       4.075   0.369  -0.119  1.00  0.00           P  
HETATM   27  S   UNL     1      -1.696   2.196   1.123  1.00  0.00           S  
HETATM   28  H   UNL     1      -4.140  -2.426  -1.336  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.639  -1.566  -0.563  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.386  -1.891  -0.671  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.551  -1.059  -2.004  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.495  -3.073   2.257  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.800  -2.398   1.251  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.940  -3.866   0.726  1.00  0.00           H  
HETATM   35  H   UNL     1       1.242   0.356  -0.891  1.00  0.00           H  
HETATM   36  H   UNL     1       1.475   1.673   0.283  1.00  0.00           H  
HETATM   37  H   UNL     1       0.240  -1.052   0.887  1.00  0.00           H  
HETATM   38  H   UNL     1       0.473   0.266   2.061  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.520  -0.320  -2.288  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.537   1.118  -2.031  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.105   2.088   0.738  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.959   1.817   0.422  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.588   1.976  -0.536  1.00  0.00           H  
HETATM   44  H   UNL     1       8.094  -2.567   0.555  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.297   4.056  -0.415  1.00  0.00           H  
HETATM   46  H   UNL     1       7.735   0.438   1.453  1.00  0.00           H  
HETATM   47  H   UNL     1       4.501   2.137   1.100  1.00  0.00           H  
CONECT    1    2    2    5   15                                       
CONECT    2   11    3    1    1                                       
CONECT    3    4    4    2   28                                       
CONECT    4    3    3    6                                            
CONECT    5    6    6    1                                            
CONECT    6    4    8    5    5                                       
CONECT    7   12   29   30   31                                       
CONECT    8    6   32   33   34                                       
CONECT    9   10   23   35   36                                       
CONECT   10   13    9   37   38                                       
CONECT   11   16    2   39   40                                       
CONECT   12    7   13   13   16                                       
CONECT   13   12   12   10   27                                       
CONECT   14   16   27   19   41                                       
CONECT   15    1   42   43                                            
CONECT   16   12   11   14                                            
CONECT   17   25   44                                                 
CONECT   18   26   26                                                 
CONECT   19   14   45                                                 
CONECT   20   25   46                                                 
CONECT   21   25   25                                                 
CONECT   22   26   47                                                 
CONECT   23    9   26                                                 
CONECT   24   26   25                                                 
CONECT   25   21   21   17   24                                       
CONECT   25   20                                                      
CONECT   26   23   18   18   24                                       
CONECT   26   22                                                      
CONECT   27   13   14                                                 
CONECT   28    3                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
