COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  I   UNL     1      -5.544  -1.796  -0.255  1.00  0.00           I  
HETATM    2  C   UNL     1      -4.514   0.008   0.021  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.266   0.009   0.626  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.709  -1.160   1.040  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.076   1.197  -0.405  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.396   2.388  -0.222  1.00  0.00           C  
HETATM    7 CL   UNL     1      -5.103   3.880  -0.758  1.00  0.00          Cl  
HETATM    8  C   UNL     1      -3.153   2.391   0.387  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.586   1.204   0.808  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.233   1.209   1.471  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.206   0.825   0.493  1.00  0.00           N  
HETATM   12  C   UNL     1       1.129   0.818   1.105  1.00  0.00           C  
HETATM   13  C   UNL     1       2.168   0.414   0.058  1.00  0.00           C  
HETATM   14  C   UNL     1       3.559   0.408   0.696  1.00  0.00           C  
HETATM   15  N   UNL     1       4.554   0.021  -0.307  1.00  0.00           N  
HETATM   16  C   UNL     1       5.857  -0.054   0.031  1.00  0.00           C  
HETATM   17  O   UNL     1       6.206   0.200   1.167  1.00  0.00           O  
HETATM   18  N   UNL     1       6.773  -0.410  -0.892  1.00  0.00           N  
HETATM   19  C   UNL     1       8.143  -0.391  -0.568  1.00  0.00           C  
HETATM   20  C   UNL     1       8.613  -0.657   0.711  1.00  0.00           C  
HETATM   21  C   UNL     1       9.939  -0.597   0.845  1.00  0.00           C  
HETATM   22  S   UNL     1      10.673  -0.187  -0.699  1.00  0.00           S  
HETATM   23  C   UNL     1       9.094  -0.121  -1.469  1.00  0.00           C  
HETATM   24  H   UNL     1      -2.165  -1.596   0.370  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.045   1.196  -0.880  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.624   3.322   0.528  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.017   2.208   1.850  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.231   0.498   2.298  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.419  -0.071   0.079  1.00  0.00           H  
HETATM   30  H   UNL     1       1.360   1.815   1.482  1.00  0.00           H  
HETATM   31  H   UNL     1       1.147   0.105   1.929  1.00  0.00           H  
HETATM   32  H   UNL     1       1.936  -0.582  -0.318  1.00  0.00           H  
HETATM   33  H   UNL     1       2.150   1.127  -0.766  1.00  0.00           H  
HETATM   34  H   UNL     1       3.791   1.404   1.072  1.00  0.00           H  
HETATM   35  H   UNL     1       3.577  -0.306   1.520  1.00  0.00           H  
HETATM   36  H   UNL     1       4.276  -0.182  -1.214  1.00  0.00           H  
HETATM   37  H   UNL     1       6.488  -0.679  -1.779  1.00  0.00           H  
HETATM   38  H   UNL     1       7.955  -0.893   1.534  1.00  0.00           H  
HETATM   39  H   UNL     1      10.479  -0.774   1.764  1.00  0.00           H  
HETATM   40  H   UNL     1       8.918   0.105  -2.511  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    5                                       
CONECT    3    9    2    2    4                                       
CONECT    4    3   24                                                 
CONECT    5    6    6    2   25                                       
CONECT    6    7    8    5    5                                       
CONECT    7    6                                                      
CONECT    8    9    9    6   26                                       
CONECT    9   10    8    8    3                                       
CONECT   10    9   11   27   28                                       
CONECT   11   10   12   29                                            
CONECT   12   11   13   30   31                                       
CONECT   13   12   14   32   33                                       
CONECT   14   13   15   34   35                                       
CONECT   15   14   16   36                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   37                                            
CONECT   19   18   23   23   20                                       
CONECT   20   19   21   21   38                                       
CONECT   21   20   20   22   39                                       
CONECT   22   23   21                                                 
CONECT   23   19   19   22   40                                       
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    8                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
