COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.286  -3.907   0.516  1.00  0.00           C  
HETATM    2  C   UNL     1       1.845  -0.168  -1.799  1.00  0.00           C  
HETATM    3  C   UNL     1       3.179  -0.497  -1.642  1.00  0.00           C  
HETATM    4  C   UNL     1       3.996   0.283  -0.848  1.00  0.00           C  
HETATM    5  C   UNL     1       4.348   2.245   0.650  1.00  0.00           C  
HETATM    6  C   UNL     1       4.643   4.144   2.088  1.00  0.00           C  
HETATM    7  C   UNL     1       6.499   2.701   1.612  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.807   2.891  -0.044  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.771   2.152   1.126  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.948   1.049   1.224  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.151   0.680   0.141  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.264  -0.505   0.240  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.229  -1.250   1.420  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.401  -2.359   1.518  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.364  -3.149   2.767  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.596  -2.731   0.421  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.638  -1.977  -0.759  1.00  0.00           C  
HETATM   18  C   UNL     1       3.474   1.403  -0.205  1.00  0.00           C  
HETATM   19  C   UNL     1       3.826   3.365   1.294  1.00  0.00           C  
HETATM   20  C   UNL     1       5.977   3.816   2.244  1.00  0.00           C  
HETATM   21  C   UNL     1       5.691   1.915   0.816  1.00  0.00           C  
HETATM   22  C   UNL     1       2.129   1.730  -0.366  1.00  0.00           C  
HETATM   23  C   UNL     1       1.323   0.946  -1.167  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.476  -0.872  -0.845  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.191   1.427  -1.035  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.018   2.528  -1.122  1.00  0.00           C  
HETATM   27  N   UNL     1       0.152  -2.337  -1.843  1.00  0.00           N  
HETATM   28  O   UNL     1      -0.639  -4.119   2.851  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.134  -2.792   3.813  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.126  -5.003   0.193  1.00  0.00           O  
HETATM   31  O   UNL     1       1.552  -3.765   0.957  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.270  -0.338  -3.227  1.00  0.00           O  
HETATM   33  O   UNL     1       1.666  -1.838  -3.727  1.00  0.00           O  
HETATM   34  S   UNL     1       0.808  -1.167  -2.814  1.00  0.00           S  
HETATM   35 CL   UNL     1      -5.850   4.274  -0.162  1.00  0.00          Cl  
HETATM   36  H   UNL     1       3.582  -1.365  -2.141  1.00  0.00           H  
HETATM   37  H   UNL     1       5.038   0.025  -0.726  1.00  0.00           H  
HETATM   38  H   UNL     1       4.240   5.013   2.587  1.00  0.00           H  
HETATM   39  H   UNL     1       7.541   2.447   1.741  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.389   2.439   1.964  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.920   0.474   2.137  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.847  -0.962   2.258  1.00  0.00           H  
HETATM   43  H   UNL     1       2.784   3.623   1.172  1.00  0.00           H  
HETATM   44  H   UNL     1       6.613   4.428   2.866  1.00  0.00           H  
HETATM   45  H   UNL     1       6.100   1.045   0.323  1.00  0.00           H  
HETATM   46  H   UNL     1       1.720   2.597   0.131  1.00  0.00           H  
HETATM   47  H   UNL     1       0.280   1.199  -1.293  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.512  -0.294  -1.757  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.576   1.145  -1.877  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.049   3.108  -2.033  1.00  0.00           H  
HETATM   51  H   UNL     1       0.319  -3.274  -2.031  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.076  -3.339   4.609  1.00  0.00           H  
HETATM   53  H   UNL     1       2.094  -4.565   0.998  1.00  0.00           H  
CONECT    1   16   30   30   31                                       
CONECT    2    3    3   23   34                                       
CONECT    3    4    2    2   36                                       
CONECT    4   18   18    3   37                                       
CONECT    5   19   19   21   18                                       
CONECT    6   20   20   19   38                                       
CONECT    7   20   21   21   39                                       
CONECT    8   35   26   26    9                                       
CONECT    9    8   10   10   40                                       
CONECT   10    9    9   11   41                                       
CONECT   11   25   25   10   12                                       
CONECT   12   11   24   24   13                                       
CONECT   13   12   14   14   42                                       
CONECT   14   13   13   16   15                                       
CONECT   15   14   28   28   29                                       
CONECT   16   17   17   14    1                                       
CONECT   17   24   27   16   16                                       
CONECT   18    5    4    4   22                                       
CONECT   19    6    5    5   43                                       
CONECT   20    6    6    7   44                                       
CONECT   21    7    7    5   45                                       
CONECT   22   18   23   23   46                                       
CONECT   23   22   22    2   47                                       
CONECT   24   12   12   17   48                                       
CONECT   25   26   11   11   49                                       
CONECT   26    8    8   25   50                                       
CONECT   27   34   17   51                                            
CONECT   28   15   15                                                 
CONECT   29   15   52                                                 
CONECT   30    1    1                                                 
CONECT   31    1   53                                                 
CONECT   32   34   34                                                 
CONECT   33   34   34                                                 
CONECT   34    2   33   33   32                                       
CONECT   34   32   27                                                 
CONECT   35    8                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   13                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   29                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
