COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.557   2.203   1.629  1.00  0.00           C  
HETATM    2  N   UNL     1       1.786   1.375   0.160  1.00  0.00           N  
HETATM    3  C   UNL     1       1.025   2.388  -0.300  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.425   2.216  -0.425  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.589   2.595  -0.844  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.558   0.345  -0.159  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.872   0.708  -0.459  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.896  -0.200  -0.271  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.286  -0.934   0.330  1.00  0.00           C  
HETATM   10  C   UNL     1       3.880  -3.262   1.330  1.00  0.00           C  
HETATM   11  C   UNL     1       4.224  -1.956   0.661  1.00  0.00           C  
HETATM   12  C   UNL     1       5.268  -1.819  -0.162  1.00  0.00           C  
HETATM   13  C   UNL     1       6.242  -2.902  -0.547  1.00  0.00           C  
HETATM   14  C   UNL     1       3.909   0.200   0.210  1.00  0.00           C  
HETATM   15  C   UNL     1       3.236   1.546   0.285  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.318   3.164  -0.885  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.457   1.310  -0.364  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.619  -1.469   0.216  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.316  -1.833   0.514  1.00  0.00           C  
HETATM   20  F   UNL     1      -7.168   0.148  -0.560  1.00  0.00           F  
HETATM   21  N   UNL     1       3.516  -0.858   0.835  1.00  0.00           N  
HETATM   22  N   UNL     1       2.806   3.459   1.752  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.136   1.080  -0.111  1.00  0.00           N  
HETATM   24  O   UNL     1       5.769  -3.574  -1.716  1.00  0.00           O  
HETATM   25  O   UNL     1       1.542   3.445  -0.611  1.00  0.00           O  
HETATM   26  S   UNL     1       5.304  -0.146  -0.716  1.00  0.00           S  
HETATM   27 CL   UNL     1      -6.909  -2.606   0.451  1.00  0.00          Cl  
HETATM   28  H   UNL     1       3.275   1.530   2.439  1.00  0.00           H  
HETATM   29  H   UNL     1       4.626   2.411   1.685  1.00  0.00           H  
HETATM   30  H   UNL     1       1.374   0.532   0.407  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.512   3.075  -1.135  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.087   1.696  -0.837  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.271  -1.220   0.563  1.00  0.00           H  
HETATM   34  H   UNL     1       3.204  -3.831   0.690  1.00  0.00           H  
HETATM   35  H   UNL     1       4.791  -3.836   1.497  1.00  0.00           H  
HETATM   36  H   UNL     1       3.394  -3.064   2.286  1.00  0.00           H  
HETATM   37  H   UNL     1       7.216  -2.458  -0.753  1.00  0.00           H  
HETATM   38  H   UNL     1       6.333  -3.616   0.271  1.00  0.00           H  
HETATM   39  H   UNL     1       3.598   2.179  -0.525  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.075   4.163  -1.215  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.107  -2.823   0.892  1.00  0.00           H  
HETATM   42  H   UNL     1       1.816   3.301   1.638  1.00  0.00           H  
HETATM   43  H   UNL     1       3.002   3.913   2.632  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.761   0.254   0.232  1.00  0.00           H  
HETATM   45  H   UNL     1       6.347  -4.286  -2.022  1.00  0.00           H  
CONECT    1   15   22   28   29                                       
CONECT    2   15    3   30                                            
CONECT    3    2   25   25    4                                       
CONECT    4    3   16   16   23                                       
CONECT    5   16   17   17   31                                       
CONECT    6   17    7    7    9                                       
CONECT    7    6    6    8   32                                       
CONECT    8    7   20   18   18                                       
CONECT    9    6   19   19   33                                       
CONECT   10   11   34   35   36                                       
CONECT   11   10   21   12   12                                       
CONECT   12   11   11   13   26                                       
CONECT   13   24   12   37   38                                       
CONECT   14   21   21   26   15                                       
CONECT   15   14    1    2   39                                       
CONECT   16    4    4    5   40                                       
CONECT   17    5    5   23    6                                       
CONECT   18    8    8   19   27                                       
CONECT   19    9    9   18   41                                       
CONECT   20    8                                                      
CONECT   21   11   14   14                                            
CONECT   22    1   42   43                                            
CONECT   23    4   17   44                                            
CONECT   24   13   45                                                 
CONECT   25    3    3                                                 
CONECT   26   12   14                                                 
CONECT   27   18                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
