COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.621   0.054   0.011  1.00  0.00           C  
HETATM    2  N   UNL     1       0.301  -0.988  -0.507  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.780   0.413  -1.028  1.00  0.00           C  
HETATM    4  O   UNL     1      -6.586   0.691   1.518  1.00  0.00           O  
HETATM    5  N   UNL     1       2.494   0.606   0.138  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.536  -0.171  -1.145  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.685  -2.964  -0.272  1.00  0.00           O  
HETATM    8  S   UNL     1      -6.209   0.805   0.153  1.00  0.00           S  
HETATM    9  O   UNL     1      -6.128   2.048  -0.530  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.222  -0.895   0.936  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.980  -1.486   0.830  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.126  -1.125  -0.213  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.793  -1.755  -0.332  1.00  0.00           C  
HETATM   14  C   UNL     1       0.184   0.469  -0.666  1.00  0.00           C  
HETATM   15  C   UNL     1       1.140   1.144   0.324  1.00  0.00           C  
HETATM   16  C   UNL     1       1.645  -1.587  -0.539  1.00  0.00           C  
HETATM   17  C   UNL     1       2.539  -0.826   0.446  1.00  0.00           C  
HETATM   18  C   UNL     1       3.471   1.347   0.946  1.00  0.00           C  
HETATM   19  C   UNL     1       4.866   0.936   0.549  1.00  0.00           C  
HETATM   20  C   UNL     1       5.527   1.617  -0.456  1.00  0.00           C  
HETATM   21  C   UNL     1       6.806   1.241  -0.821  1.00  0.00           C  
HETATM   22  C   UNL     1       7.425   0.182  -0.179  1.00  0.00           C  
HETATM   23  F   UNL     1       8.675  -0.186  -0.534  1.00  0.00           F  
HETATM   24  C   UNL     1       6.762  -0.499   0.828  1.00  0.00           C  
HETATM   25  C   UNL     1       5.485  -0.117   1.195  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.272  -0.132  -0.705  1.00  0.00           N  
HETATM   27  H   UNL     1      -4.099   1.151  -1.748  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.881   0.109  -1.957  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.885  -1.173   1.742  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.671  -2.227   1.553  1.00  0.00           H  
HETATM   31  H   UNL     1       0.454   0.749  -1.684  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.840   0.779  -0.459  1.00  0.00           H  
HETATM   33  H   UNL     1       0.807   0.947   1.343  1.00  0.00           H  
HETATM   34  H   UNL     1       1.148   2.220   0.145  1.00  0.00           H  
HETATM   35  H   UNL     1       1.586  -2.635  -0.245  1.00  0.00           H  
HETATM   36  H   UNL     1       2.056  -1.511  -1.545  1.00  0.00           H  
HETATM   37  H   UNL     1       3.565  -1.183   0.355  1.00  0.00           H  
HETATM   38  H   UNL     1       2.184  -0.992   1.463  1.00  0.00           H  
HETATM   39  H   UNL     1       3.345   2.417   0.777  1.00  0.00           H  
HETATM   40  H   UNL     1       3.313   1.125   2.001  1.00  0.00           H  
HETATM   41  H   UNL     1       5.043   2.443  -0.956  1.00  0.00           H  
HETATM   42  H   UNL     1       7.321   1.773  -1.607  1.00  0.00           H  
HETATM   43  H   UNL     1       7.244  -1.325   1.329  1.00  0.00           H  
HETATM   44  H   UNL     1       4.970  -0.646   1.983  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.957  -0.927  -1.162  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.208   0.116  -0.751  1.00  0.00           H  
CONECT    1   10   10    3    8                                       
CONECT    2   16   13   14                                            
CONECT    3    6    6    1   27                                       
CONECT    4    8    8                                                 
CONECT    5   17   18   15                                            
CONECT    6   12    3    3   28                                       
CONECT    7   13   13                                                 
CONECT    8    1   26    9    9                                       
CONECT    8    4    4                                                 
CONECT    9    8    8                                                 
CONECT   10   11    1    1   29                                       
CONECT   11   12   12   10   30                                       
CONECT   12   13   11   11    6                                       
CONECT   13    7    7    2   12                                       
CONECT   14    2   15   31   32                                       
CONECT   15    5   14   33   34                                       
CONECT   16   17    2   35   36                                       
CONECT   17   16    5   37   38                                       
CONECT   18    5   19   39   40                                       
CONECT   19   18   20   20   25                                       
CONECT   20   19   19   21   41                                       
CONECT   21   20   22   22   42                                       
CONECT   22   21   21   24   23                                       
CONECT   23   22                                                      
CONECT   24   25   25   22   43                                       
CONECT   25   19   24   24   44                                       
CONECT   26    8   45   46                                            
CONECT   27    3                                                      
CONECT   28    6                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
