COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.619  -1.817   0.848  1.00  0.00           N  
HETATM    2  C   UNL     1       5.538  -2.448   2.168  1.00  0.00           C  
HETATM    3  O   UNL     1       4.039  -3.514   0.001  1.00  0.00           O  
HETATM    4 CL   UNL     1      -5.278  -0.578   2.400  1.00  0.00          Cl  
HETATM    5  C   UNL     1      -3.761   0.009   1.794  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.195   1.148   2.338  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.986   1.617   1.864  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.115  -0.670   0.767  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.672  -1.792   0.239  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.576  -1.643  -0.761  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.790  -0.445  -1.278  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.660  -0.257  -2.252  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.384  -1.313  -2.769  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.188  -2.587  -2.253  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.265  -2.753  -1.236  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.905  -0.204   0.283  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.332   0.941   0.834  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.034   1.442   0.324  1.00  0.00           C  
HETATM   19  C   UNL     1       1.043   0.583   0.199  1.00  0.00           C  
HETATM   20  C   UNL     1       0.108   2.797  -0.043  1.00  0.00           C  
HETATM   21  C   UNL     1       1.342   3.265  -0.532  1.00  0.00           C  
HETATM   22  N   UNL     1       1.183   4.609  -0.804  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.099   4.973  -0.498  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.774   3.905  -0.037  1.00  0.00           C  
HETATM   25  C   UNL     1       2.413   2.393  -0.651  1.00  0.00           C  
HETATM   26  C   UNL     1       3.735   2.891  -1.174  1.00  0.00           C  
HETATM   27  C   UNL     1       2.269   1.057  -0.283  1.00  0.00           C  
HETATM   28  C   UNL     1       3.413   0.133  -0.412  1.00  0.00           C  
HETATM   29  O   UNL     1       4.508   0.561  -0.722  1.00  0.00           O  
HETATM   30  N   UNL     1       3.244  -1.185  -0.185  1.00  0.00           N  
HETATM   31  S   UNL     1       4.528  -2.221  -0.330  1.00  0.00           S  
HETATM   32  O   UNL     1       5.148  -1.920  -1.572  1.00  0.00           O  
HETATM   33  C   UNL     1       6.661  -0.826   0.573  1.00  0.00           C  
HETATM   34  H   UNL     1       6.330  -2.056   2.807  1.00  0.00           H  
HETATM   35  H   UNL     1       4.569  -2.230   2.616  1.00  0.00           H  
HETATM   36  H   UNL     1       5.656  -3.526   2.064  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.701   1.673   3.135  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.547   2.507   2.290  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.809   0.736  -2.650  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.094  -1.150  -3.566  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.741  -3.430  -2.640  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.084  -3.731  -0.815  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.402  -0.730  -0.515  1.00  0.00           H  
HETATM   44  H   UNL     1       0.938  -0.456   0.475  1.00  0.00           H  
HETATM   45  H   UNL     1       1.868   5.198  -1.155  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.507   5.966  -0.611  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.806   3.895   0.281  1.00  0.00           H  
HETATM   48  H   UNL     1       4.394   3.121  -0.336  1.00  0.00           H  
HETATM   49  H   UNL     1       4.194   2.122  -1.796  1.00  0.00           H  
HETATM   50  H   UNL     1       3.575   3.791  -1.768  1.00  0.00           H  
HETATM   51  H   UNL     1       2.370  -1.526   0.062  1.00  0.00           H  
HETATM   52  H   UNL     1       7.547  -1.328   0.185  1.00  0.00           H  
HETATM   53  H   UNL     1       6.296  -0.111  -0.166  1.00  0.00           H  
HETATM   54  H   UNL     1       6.914  -0.299   1.493  1.00  0.00           H  
CONECT    1   31    2   33                                            
CONECT    2    1   34   35   36                                       
CONECT    3   31   31                                                 
CONECT    4    5                                                      
CONECT    5    6    6    8    4                                       
CONECT    6    7    5    5   37                                       
CONECT    7   17   17    6   38                                       
CONECT    8   16   16    5    9                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   13   39                                       
CONECT   13   12   12   14   40                                       
CONECT   14   15   15   13   41                                       
CONECT   15   10   14   14   42                                       
CONECT   16   17    8    8   43                                       
CONECT   17   18    7    7   16                                       
CONECT   18   20   19   19   17                                       
CONECT   19   18   18   27   44                                       
CONECT   20   24   21   21   18                                       
CONECT   21   22   20   20   25                                       
CONECT   22   23   21   45                                            
CONECT   23   22   24   24   46                                       
CONECT   24   23   23   20   47                                       
CONECT   25   26   21   27   27                                       
CONECT   26   25   48   49   50                                       
CONECT   27   25   25   19   28                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   51                                            
CONECT   31   30    3    3   32                                       
CONECT   31   32    1                                                 
CONECT   32   31   31                                                 
CONECT   33    1   52   53   54                                       
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   19                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   30                                                      
CONECT   52   33                                                      
CONECT   53   33                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
