COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.516   0.573   1.266  1.00  0.00           C  
HETATM    2  C   UNL     1       7.020   0.453  -0.176  1.00  0.00           C  
HETATM    3  C   UNL     1       5.538   0.180  -0.177  1.00  0.00           C  
HETATM    4  C   UNL     1       5.078  -1.125  -0.149  1.00  0.00           C  
HETATM    5  C   UNL     1       3.721  -1.380  -0.150  1.00  0.00           C  
HETATM    6  C   UNL     1       2.815  -0.322  -0.179  1.00  0.00           C  
HETATM    7  C   UNL     1       3.285   0.990  -0.208  1.00  0.00           C  
HETATM    8  C   UNL     1       4.643   1.234  -0.201  1.00  0.00           C  
HETATM    9  C   UNL     1       1.356  -0.591  -0.181  1.00  0.00           C  
HETATM   10  C   UNL     1       0.886  -1.904  -0.147  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.467  -2.155  -0.155  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.387  -1.107  -0.191  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.744  -1.441  -0.219  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.180  -2.691  -0.847  1.00  0.00           C  
HETATM   15  S   UNL     1      -3.866  -0.414   0.465  1.00  0.00           S  
HETATM   16  O   UNL     1      -5.077  -0.578  -0.261  1.00  0.00           O  
HETATM   17  O   UNL     1      -3.765  -0.568   1.874  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.240   1.192   0.074  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.840   2.375  -0.005  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.897   3.289  -0.347  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.666   2.623  -0.481  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.858   1.360  -0.228  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.917   0.213  -0.215  1.00  0.00           C  
HETATM   24  C   UNL     1       0.452   0.465  -0.210  1.00  0.00           C  
HETATM   25  H   UNL     1       6.995   1.391   1.762  1.00  0.00           H  
HETATM   26  H   UNL     1       7.317  -0.359   1.797  1.00  0.00           H  
HETATM   27  H   UNL     1       8.588   0.770   1.267  1.00  0.00           H  
HETATM   28  H   UNL     1       7.218   1.384  -0.707  1.00  0.00           H  
HETATM   29  H   UNL     1       7.541  -0.366  -0.673  1.00  0.00           H  
HETATM   30  H   UNL     1       5.781  -1.944  -0.126  1.00  0.00           H  
HETATM   31  H   UNL     1       3.363  -2.399  -0.128  1.00  0.00           H  
HETATM   32  H   UNL     1       2.587   1.814  -0.231  1.00  0.00           H  
HETATM   33  H   UNL     1       5.008   2.250  -0.219  1.00  0.00           H  
HETATM   34  H   UNL     1       1.586  -2.726  -0.114  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.821  -3.175  -0.133  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.186  -3.488  -0.104  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.184  -2.564  -1.252  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.493  -2.951  -1.653  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.887   2.572   0.171  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.047   4.238  -0.477  1.00  0.00           H  
HETATM   41  H   UNL     1       0.812   1.482  -0.234  1.00  0.00           H  
CONECT    1    2   25   26   27                                       
CONECT    2    1    3   28   29                                       
CONECT    3    4    2    8    8                                       
CONECT    4    5    5    3   30                                       
CONECT    5    4    4    6   31                                       
CONECT    6    5    9    7    7                                       
CONECT    7    6    6    8   32                                       
CONECT    8    3    3    7   33                                       
CONECT    9   10    6   24   24                                       
CONECT   10   11   11    9   34                                       
CONECT   11   10   10   12   35                                       
CONECT   12   11   13   23   23                                       
CONECT   13   14   12   15                                            
CONECT   14   13   36   37   38                                       
CONECT   15   13   16   16   17                                       
CONECT   15   17   18                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   22   19   19                                       
CONECT   19   18   18   20   39                                       
CONECT   20   21   19   40                                            
CONECT   21   22   22   20                                            
CONECT   22   23   18   21   21                                       
CONECT   23   12   12   24   22                                       
CONECT   24    9    9   23   41                                       
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   24                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
