COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.398  -0.413   0.407  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.899  -0.276  -0.802  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.376  -0.156  -0.524  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.171  -0.695   0.477  1.00  0.00           C  
HETATM    5  C   UNL     1       2.330   0.323  -0.466  1.00  0.00           C  
HETATM    6  C   UNL     1       0.968  -1.437   1.336  1.00  0.00           C  
HETATM    7  C   UNL     1       0.852   0.498  -0.112  1.00  0.00           C  
HETATM    8  C   UNL     1       2.447  -1.613   0.983  1.00  0.00           C  
HETATM    9  C   UNL     1       5.198   0.754   0.067  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.291   1.193  -0.051  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.942   1.088  -0.305  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.098   0.063  -0.010  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.170  -1.289  -0.491  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.195   2.373   0.223  1.00  0.00           C  
HETATM   15  C   UNL     1       6.545   0.411  -0.152  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.523  -1.185  -0.237  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.562   1.751   0.414  1.00  0.00           C  
HETATM   18  C   UNL     1       4.831   2.109  -0.067  1.00  0.00           C  
HETATM   19  C   UNL     1       7.482   1.378  -0.488  1.00  0.00           C  
HETATM   20  C   UNL     1       5.762   3.044  -0.399  1.00  0.00           C  
HETATM   21  C   UNL     1       7.090   2.693  -0.610  1.00  0.00           C  
HETATM   22  N   UNL     1       0.268  -0.812   0.205  1.00  0.00           N  
HETATM   23  N   UNL     1       3.031  -0.303   0.665  1.00  0.00           N  
HETATM   24  N   UNL     1       4.997  -1.556   0.455  1.00  0.00           N  
HETATM   25  N   UNL     1      -7.418   0.424   0.262  1.00  0.00           N  
HETATM   26  O   UNL     1      -8.594   2.341   0.657  1.00  0.00           O  
HETATM   27  S   UNL     1       6.638  -1.334   0.097  1.00  0.00           S  
HETATM   28 CL   UNL     1      -3.461  -2.849  -0.772  1.00  0.00          Cl  
HETATM   29  H   UNL     1      -1.735  -1.026  -1.576  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.514   0.685  -1.141  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.336   0.055   1.250  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.557  -1.657   0.816  1.00  0.00           H  
HETATM   33  H   UNL     1       2.421  -0.314  -1.346  1.00  0.00           H  
HETATM   34  H   UNL     1       2.773   1.297  -0.674  1.00  0.00           H  
HETATM   35  H   UNL     1       0.525  -2.412   1.544  1.00  0.00           H  
HETATM   36  H   UNL     1       0.877  -0.801   2.216  1.00  0.00           H  
HETATM   37  H   UNL     1       0.760   1.156   0.752  1.00  0.00           H  
HETATM   38  H   UNL     1       0.325   0.936  -0.960  1.00  0.00           H  
HETATM   39  H   UNL     1       2.974  -2.050   1.831  1.00  0.00           H  
HETATM   40  H   UNL     1       2.539  -2.271   0.119  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.326   1.974  -0.334  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.882   2.891   1.129  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.199   3.057  -0.625  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.136  -2.074  -0.209  1.00  0.00           H  
HETATM   45  H   UNL     1       3.805   2.406   0.094  1.00  0.00           H  
HETATM   46  H   UNL     1       8.513   1.101  -0.653  1.00  0.00           H  
HETATM   47  H   UNL     1       5.465   4.077  -0.498  1.00  0.00           H  
HETATM   48  H   UNL     1       7.814   3.450  -0.871  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.148  -0.211   0.335  1.00  0.00           H  
CONECT    1   24   24   23    9                                       
CONECT    2    4    3   29   30                                       
CONECT    3   13   13   11    2                                       
CONECT    4   22    2   31   32                                       
CONECT    5   23    7   33   34                                       
CONECT    6    8   22   35   36                                       
CONECT    7   22    5   37   38                                       
CONECT    8    6   23   39   40                                       
CONECT    9    1   15   18   18                                       
CONECT   10   12   14   11   11                                       
CONECT   11   10   10    3   41                                       
CONECT   12   25   16   16   10                                       
CONECT   13   16   28    3    3                                       
CONECT   14   17   10   42   43                                       
CONECT   15   27   19   19    9                                       
CONECT   16   12   12   13   44                                       
CONECT   17   26   26   25   14                                       
CONECT   18    9    9   20   45                                       
CONECT   19   15   15   21   46                                       
CONECT   20   21   21   18   47                                       
CONECT   21   19   20   20   48                                       
CONECT   22    6    4    7                                            
CONECT   23    8    1    5                                            
CONECT   24   27    1    1                                            
CONECT   25   17   12   49                                            
CONECT   26   17   17                                                 
CONECT   27   24   15                                                 
CONECT   28   13                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
