COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.162  -2.734   0.000  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.855  -1.734  -0.015  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.198  -1.845  -0.014  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.824  -3.170   0.004  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.346  -3.014   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.000  -4.398   0.019  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.522  -4.243   0.015  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.225  -0.402  -0.027  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.017   0.749  -0.038  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.423   1.992  -0.049  1.00  0.00           C  
HETATM   11  S   UNL     1      -2.425   3.441  -0.062  1.00  0.00           S  
HETATM   12  O   UNL     1      -1.910   4.275  -1.091  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.774   2.997  -0.024  1.00  0.00           O  
HETATM   14  N   UNL     1      -2.154   4.238   1.364  1.00  0.00           N  
HETATM   15  C   UNL     1       0.174  -0.282  -0.021  1.00  0.00           C  
HETATM   16  C   UNL     1       0.756   0.980  -0.032  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.041   2.108  -0.049  1.00  0.00           C  
HETATM   18 CL   UNL     1       0.693   3.681  -0.063  1.00  0.00          Cl  
HETATM   19  S   UNL     1       1.187  -1.724   0.001  1.00  0.00           S  
HETATM   20  C   UNL     1       2.868  -1.041   0.001  1.00  0.00           C  
HETATM   21  C   UNL     1       3.883  -2.186   0.020  1.00  0.00           C  
HETATM   22  C   UNL     1       5.279  -1.620   0.020  1.00  0.00           C  
HETATM   23  C   UNL     1       5.914  -1.346   1.217  1.00  0.00           C  
HETATM   24  C   UNL     1       7.195  -0.826   1.217  1.00  0.00           C  
HETATM   25  C   UNL     1       7.841  -0.580   0.021  1.00  0.00           C  
HETATM   26  C   UNL     1       7.207  -0.854  -1.177  1.00  0.00           C  
HETATM   27  C   UNL     1       5.928  -1.379  -1.177  1.00  0.00           C  
HETATM   28  H   UNL     1      -3.750  -1.048  -0.026  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.514  -3.730  -0.878  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.515  -3.705   0.901  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.656  -2.454   0.882  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.655  -2.479  -0.898  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.689  -4.958  -0.863  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.691  -4.933   0.916  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.987  -5.228   0.028  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.832  -3.682   0.897  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.830  -3.707  -0.883  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.094   0.665  -0.038  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.532   3.872   2.013  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.617   5.069   1.551  1.00  0.00           H  
HETATM   41  H   UNL     1       1.831   1.079  -0.028  1.00  0.00           H  
HETATM   42  H   UNL     1       3.016  -0.439  -0.895  1.00  0.00           H  
HETATM   43  H   UNL     1       3.007  -0.418   0.885  1.00  0.00           H  
HETATM   44  H   UNL     1       3.735  -2.789   0.916  1.00  0.00           H  
HETATM   45  H   UNL     1       3.744  -2.809  -0.864  1.00  0.00           H  
HETATM   46  H   UNL     1       5.409  -1.537   2.152  1.00  0.00           H  
HETATM   47  H   UNL     1       7.690  -0.611   2.153  1.00  0.00           H  
HETATM   48  H   UNL     1       8.842  -0.173   0.021  1.00  0.00           H  
HETATM   49  H   UNL     1       7.712  -0.661  -2.112  1.00  0.00           H  
HETATM   50  H   UNL     1       5.432  -1.593  -2.112  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    4    2   28                                            
CONECT    4    3    5   29   30                                       
CONECT    5    4    6   31   32                                       
CONECT    6    5    7   33   34                                       
CONECT    7    6   35   36   37                                       
CONECT    8    2    9    9   15                                       
CONECT    9    8    8   10   38                                       
CONECT   10    9   11   17   17                                       
CONECT   11   14   12   12   10                                       
CONECT   11   13   13                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   39   40                                            
CONECT   15    8   19   16   16                                       
CONECT   16   15   15   17   41                                       
CONECT   17   10   10   16   18                                       
CONECT   18   17                                                      
CONECT   19   15   20                                                 
CONECT   20   19   21   42   43                                       
CONECT   21   20   22   44   45                                       
CONECT   22   27   21   23   23                                       
CONECT   23   22   22   24   46                                       
CONECT   24   25   25   23   47                                       
CONECT   25   26   24   24   48                                       
CONECT   26   27   27   25   49                                       
CONECT   27   26   26   22   50                                       
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
