COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.511   1.331   0.323  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.492   0.495  -0.459  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.275  -0.398   0.178  1.00  0.00           N  
HETATM    4  O   UNL     1      -1.577   0.626  -1.662  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.284  -1.152  -0.570  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.547  -0.336  -0.673  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.598   0.767  -0.171  1.00  0.00           O  
HETATM    8  N   UNL     1      -5.618  -0.832  -1.322  1.00  0.00           N  
HETATM    9  O   UNL     1      -6.805  -0.065  -1.419  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.583  -2.464   0.158  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.333  -3.346   0.153  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.632  -4.659   0.881  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.275   2.297   1.230  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.268   3.105   0.394  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.033   1.504   2.297  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.032   0.816   3.228  1.00  0.00           C  
HETATM   17  N   UNL     1       0.329   2.092  -0.604  1.00  0.00           N  
HETATM   18  S   UNL     1       1.925   2.358  -0.248  1.00  0.00           S  
HETATM   19  O   UNL     1       2.480   3.029  -1.370  1.00  0.00           O  
HETATM   20  O   UNL     1       1.958   2.889   1.070  1.00  0.00           O  
HETATM   21  C   UNL     1       2.711   0.784  -0.170  1.00  0.00           C  
HETATM   22  C   UNL     1       2.765   0.096   1.028  1.00  0.00           C  
HETATM   23  C   UNL     1       3.383  -1.140   1.090  1.00  0.00           C  
HETATM   24  C   UNL     1       3.947  -1.689  -0.048  1.00  0.00           C  
HETATM   25 CL   UNL     1       3.451  -2.002   2.595  1.00  0.00          Cl  
HETATM   26  C   UNL     1       3.893  -1.001  -1.247  1.00  0.00           C  
HETATM   27  C   UNL     1       3.270   0.233  -1.308  1.00  0.00           C  
HETATM   28 CL   UNL     1       4.601  -1.688  -2.675  1.00  0.00          Cl  
HETATM   29  H   UNL     1       0.116   0.679   0.931  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.170  -0.541   1.131  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.909  -1.369  -1.570  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.577  -1.714  -1.724  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.518  -0.503  -1.903  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.873  -2.251   1.187  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.396  -2.984  -0.349  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.042  -3.559  -0.876  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.519  -2.827   0.660  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.741  -5.287   0.877  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.922  -4.446   1.910  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.445  -5.178   0.374  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.571   2.975   1.713  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.024   2.437  -0.019  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.750   3.853   1.023  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.739   3.601  -0.420  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.661   2.181   2.875  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.657   0.752   1.815  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.356   0.196   2.640  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.458   1.570   3.766  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.570   0.191   3.941  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.048   2.441  -1.427  1.00  0.00           H  
HETATM   51  H   UNL     1       2.324   0.525   1.916  1.00  0.00           H  
HETATM   52  H   UNL     1       4.430  -2.653   0.000  1.00  0.00           H  
HETATM   53  H   UNL     1       3.224   0.769  -2.245  1.00  0.00           H  
CONECT    1   17    2   13   29                                       
CONECT    2    3    4    4    1                                       
CONECT    3    5    2   30                                            
CONECT    4    2    2                                                 
CONECT    5   10    3    6   31                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   32                                            
CONECT    9    8   33                                                 
CONECT   10   11    5   34   35                                       
CONECT   11   12   10   36   37                                       
CONECT   12   11   38   39   40                                       
CONECT   13   14    1   15   41                                       
CONECT   14   13   42   43   44                                       
CONECT   15   13   16   45   46                                       
CONECT   16   15   47   48   49                                       
CONECT   17   18    1   50                                            
CONECT   18   20   20   17   21                                       
CONECT   18   19   19                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   27   27   22                                       
CONECT   22   21   23   23   51                                       
CONECT   23   22   22   25   24                                       
CONECT   24   26   26   23   52                                       
CONECT   25   23                                                      
CONECT   26   27   24   24   28                                       
CONECT   27   21   21   26   53                                       
CONECT   28   26                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   27                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
