COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.554   2.801   1.250  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.265   2.745   1.022  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.522   1.447   1.208  1.00  0.00           C  
HETATM    4  S   UNL     1      -3.888   0.878  -0.393  1.00  0.00           S  
HETATM    5  C   UNL     1      -3.040  -0.669   0.030  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.439  -1.284  -1.235  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.387  -0.412  -1.752  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.164  -0.227  -1.113  1.00  0.00           C  
HETATM    9  C   UNL     1       0.574   0.921  -1.394  1.00  0.00           C  
HETATM   10  C   UNL     1       1.799   1.125  -0.790  1.00  0.00           C  
HETATM   11 CL   UNL     1       2.710   2.560  -1.145  1.00  0.00          Cl  
HETATM   12  C   UNL     1       2.302   0.192   0.099  1.00  0.00           C  
HETATM   13  S   UNL     1       3.869   0.453   0.861  1.00  0.00           S  
HETATM   14  N   UNL     1       5.010   0.419  -0.339  1.00  0.00           N  
HETATM   15  O   UNL     1       3.854   1.782   1.363  1.00  0.00           O  
HETATM   16  O   UNL     1       4.112  -0.684   1.678  1.00  0.00           O  
HETATM   17  C   UNL     1       1.572  -0.947   0.387  1.00  0.00           C  
HETATM   18  C   UNL     1       0.345  -1.150  -0.209  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.602  -2.588   0.194  1.00  0.00           S  
HETATM   20  O   UNL     1       0.216  -3.713  -0.097  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.186  -2.351   1.467  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.849  -2.599  -0.915  1.00  0.00           N  
HETATM   23  H   UNL     1      -7.084   1.917   1.572  1.00  0.00           H  
HETATM   24  H   UNL     1      -7.085   3.732   1.121  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.735   3.629   0.700  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.690   1.600   1.895  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.199   0.697   1.618  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.244  -0.463   0.747  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.753  -1.366   0.469  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.217  -1.403  -1.989  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.548   0.062  -2.583  1.00  0.00           H  
HETATM   32  H   UNL     1       0.188   1.653  -2.088  1.00  0.00           H  
HETATM   33  H   UNL     1       5.822   0.941  -0.250  1.00  0.00           H  
HETATM   34  H   UNL     1       4.865  -0.123  -1.130  1.00  0.00           H  
HETATM   35  H   UNL     1       1.962  -1.678   1.080  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.166  -3.420  -1.324  1.00  0.00           H  
CONECT    1    2    2   23   24                                       
CONECT    2    1    1    3   25                                       
CONECT    3    2    4   26   27                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   28   29                                       
CONECT    6    5    7   22   30                                       
CONECT    7    6    8   31                                            
CONECT    8    7    9    9   18                                       
CONECT    9    8    8   10   32                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10                                                      
CONECT   12   10   10   13   17                                       
CONECT   13   12   14   15   15                                       
CONECT   13   16   16                                                 
CONECT   14   13   33   34                                            
CONECT   15   13   13                                                 
CONECT   16   13   13                                                 
CONECT   17   12   18   18   35                                       
CONECT   18    8   17   17   19                                       
CONECT   19   18   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22    6   19   36                                            
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   17                                                      
CONECT   36   22                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
