COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.756   3.682   1.032  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.672   1.739  -0.068  1.00  0.00           C  
HETATM    3  C   UNL     1       3.841   0.185   1.260  1.00  0.00           C  
HETATM    4  C   UNL     1       2.648  -0.356   0.796  1.00  0.00           C  
HETATM    5  C   UNL     1       2.238  -0.110  -0.508  1.00  0.00           C  
HETATM    6  C   UNL     1       3.015   0.671  -1.341  1.00  0.00           C  
HETATM    7  C   UNL     1       4.615   0.966   0.423  1.00  0.00           C  
HETATM    8  C   UNL     1       4.203   1.209  -0.877  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.698  -0.487   0.704  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.992  -2.894   0.754  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.554  -0.477  -1.287  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.347  -3.108  -1.111  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.927  -1.872  -1.801  1.00  0.00           C  
HETATM   14  O   UNL     1       0.064  -1.293  -2.652  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.833  -2.465   1.660  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.557   4.540   2.062  1.00  0.00           O  
HETATM   17 CL   UNL     1       5.178   2.190  -1.926  1.00  0.00          Cl  
HETATM   18 CL   UNL     1       6.102   1.649   1.002  1.00  0.00          Cl  
HETATM   19  S   UNL     1       1.659  -1.352   1.860  1.00  0.00           S  
HETATM   20  C   UNL     1       0.251  -1.800   0.807  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.288  -3.613   2.314  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.455  -3.827  -0.336  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.514  -4.175  -1.230  1.00  0.00           O  
HETATM   24  O   UNL     1       0.684  -2.710  -0.206  1.00  0.00           O  
HETATM   25  N   UNL     1      -2.593  -1.711   0.135  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.112  -1.659  -1.041  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.324   0.303  -0.216  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.284   2.446  -1.035  1.00  0.00           C  
HETATM   29  S   UNL     1      -4.507   4.092  -0.447  1.00  0.00           S  
HETATM   30  N   UNL     1      -3.399   2.438   1.027  1.00  0.00           N  
HETATM   31  H   UNL     1       4.161  -0.001   2.274  1.00  0.00           H  
HETATM   32  H   UNL     1       1.311  -0.529  -0.871  1.00  0.00           H  
HETATM   33  H   UNL     1       2.696   0.862  -2.355  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.360  -0.196   1.687  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.743  -3.418   1.345  1.00  0.00           H  
HETATM   36  H   UNL     1       0.067  -3.782  -1.861  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.793  -2.161  -2.397  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.230  -1.144  -1.049  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.234  -0.503  -3.123  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.196  -1.759   2.406  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.715   5.014   2.021  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.154  -0.902   0.341  1.00  0.00           H  
HETATM   43  H   UNL     1       0.452  -3.415   2.905  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.053  -4.730   0.123  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.246  -4.766  -1.947  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.591   2.069  -1.999  1.00  0.00           H  
CONECT    1   29   30   30   16                                       
CONECT    2   27   28   28   30                                       
CONECT    3    4    4    7   31                                       
CONECT    4    5    3    3   19                                       
CONECT    5    6    6    4   32                                       
CONECT    6    8    5    5   33                                       
CONECT    7    8    8    3   18                                       
CONECT    8   17    6    7    7                                       
CONECT    9   25   27   27   34                                       
CONECT   10   15   22   25   35                                       
CONECT   11   26   26   27                                            
CONECT   12   22   13   24   36                                       
CONECT   13   12   14   37   38                                       
CONECT   14   13   39                                                 
CONECT   15   20   21   10   40                                       
CONECT   16    1   41                                                 
CONECT   17    8                                                      
CONECT   18    7                                                      
CONECT   19    4   20                                                 
CONECT   20   19   15   24   42                                       
CONECT   21   15   43                                                 
CONECT   22   10   23   12   44                                       
CONECT   23   22   45                                                 
CONECT   24   20   12                                                 
CONECT   25   10   26    9                                            
CONECT   26   25   11   11                                            
CONECT   27   11    9    9    2                                       
CONECT   28    2    2   29   46                                       
CONECT   29   28    1                                                 
CONECT   30    2    1    1                                            
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   28                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
