COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.522  -0.858   0.263  1.00  0.00           C  
HETATM    2  C   UNL     1       3.766  -0.433  -0.163  1.00  0.00           C  
HETATM    3  I   UNL     1       4.367   1.546   0.173  1.00  0.00           I  
HETATM    4  C   UNL     1       4.615  -1.313  -0.810  1.00  0.00           C  
HETATM    5  C   UNL     1       4.221  -2.619  -1.034  1.00  0.00           C  
HETATM    6  C   UNL     1       2.979  -3.050  -0.611  1.00  0.00           C  
HETATM    7  C   UNL     1       2.125  -2.170   0.040  1.00  0.00           C  
HETATM    8  N   UNL     1       0.866  -2.603   0.469  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.209  -1.803   0.323  1.00  0.00           C  
HETATM   10  S   UNL     1      -0.063  -0.319  -0.520  1.00  0.00           S  
HETATM   11  N   UNL     1      -1.398  -2.170   0.839  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.538  -1.400   0.586  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.757  -0.877  -0.681  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.884  -0.117  -0.928  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.793   0.123   0.086  1.00  0.00           C  
HETATM   16  S   UNL     1      -6.230   1.092  -0.233  1.00  0.00           S  
HETATM   17  O   UNL     1      -6.646   1.617   1.020  1.00  0.00           O  
HETATM   18  O   UNL     1      -5.922   1.909  -1.354  1.00  0.00           O  
HETATM   19  N   UNL     1      -7.423   0.054  -0.725  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.579  -0.397   1.349  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.457  -1.163   1.600  1.00  0.00           C  
HETATM   22  H   UNL     1       1.861  -0.172   0.772  1.00  0.00           H  
HETATM   23  H   UNL     1       5.587  -0.978  -1.142  1.00  0.00           H  
HETATM   24  H   UNL     1       4.886  -3.304  -1.539  1.00  0.00           H  
HETATM   25  H   UNL     1       2.672  -4.071  -0.787  1.00  0.00           H  
HETATM   26  H   UNL     1       0.766  -3.480   0.872  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.464  -2.968   1.387  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.047  -1.063  -1.473  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.055   0.291  -1.913  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.352   0.262  -0.541  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.192  -0.761  -1.197  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.291  -0.208   2.138  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.292  -1.573   2.586  1.00  0.00           H  
CONECT    1    7    7    2   22                                       
CONECT    2    3    1    4    4                                       
CONECT    3    2                                                      
CONECT    4    2    2    5   23                                       
CONECT    5    6    6    4   24                                       
CONECT    6    7    5    5   25                                       
CONECT    7    8    1    1    6                                       
CONECT    8    9    7   26                                            
CONECT    9   10   10    8   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   27                                            
CONECT   12   11   21   21   13                                       
CONECT   13   12   14   14   28                                       
CONECT   14   13   13   15   29                                       
CONECT   15   20   20   14   16                                       
CONECT   16   15   19   18   18                                       
CONECT   16   17   17                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16   30   31                                            
CONECT   20   21   15   15   32                                       
CONECT   21   12   12   20   33                                       
CONECT   22    1                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    8                                                      
CONECT   27   11                                                      
CONECT   28   13                                                      
CONECT   29   14                                                      
CONECT   30   19                                                      
CONECT   31   19                                                      
CONECT   32   20                                                      
CONECT   33   21                                                      
MASTER        0    0    0    0    0    0    0    0   33    0   33    0
END
