COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.243  -0.807   0.570  1.00  0.00           C  
HETATM    2  C   UNL     1       1.841   1.057   0.328  1.00  0.00           C  
HETATM    3  C   UNL     1       3.706  -2.239   0.478  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.752   1.438  -0.887  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.015   0.966   0.520  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.964   1.334   2.687  1.00  0.00           C  
HETATM    7  C   UNL     1       1.066  -1.258  -0.509  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.822  -2.731  -0.327  1.00  0.00           C  
HETATM    9  C   UNL     1       1.813   3.697   0.871  1.00  0.00           C  
HETATM   10  C   UNL     1       2.926   1.677   0.952  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.723   1.766   1.396  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.553  -0.270   0.932  1.00  0.00           C  
HETATM   13  C   UNL     1       0.158  -2.287  -2.480  1.00  0.00           C  
HETATM   14  C   UNL     1       1.087  -1.455  -1.889  1.00  0.00           C  
HETATM   15  C   UNL     1       0.084  -1.700   1.763  1.00  0.00           C  
HETATM   16  C   UNL     1       0.106  -1.904   0.270  1.00  0.00           C  
HETATM   17 CL   UNL     1      -2.017  -3.536   0.641  1.00  0.00          Cl  
HETATM   18  C   UNL     1      -0.802  -2.920  -1.704  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.715  -3.740  -2.289  1.00  0.00           O  
HETATM   20  C   UNL     1       2.066  -0.369   0.130  1.00  0.00           C  
HETATM   21  C   UNL     1       4.452  -2.450  -0.841  1.00  0.00           C  
HETATM   22  S   UNL     1       4.184   0.493   1.276  1.00  0.00           S  
HETATM   23  N   UNL     1       2.869   2.991   1.202  1.00  0.00           N  
HETATM   24  N   UNL     1       0.764   3.156   0.277  1.00  0.00           N  
HETATM   25  C   UNL     1       0.729   1.865  -0.008  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.353   1.325  -0.618  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.432   2.210  -0.928  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.229   2.786  -2.306  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.310   2.404  -2.991  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.069   3.723  -2.771  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.497   0.101   3.101  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.794  -0.703   2.223  1.00  0.00           C  
HETATM   33  H   UNL     1       4.373  -2.459   1.312  1.00  0.00           H  
HETATM   34  H   UNL     1       2.843  -2.903   0.518  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.691   0.577  -1.553  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.564   2.089  -1.209  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.517   1.960   3.372  1.00  0.00           H  
HETATM   38  H   UNL     1       1.803   4.755   1.089  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.088   2.730   1.073  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.004  -0.898   0.246  1.00  0.00           H  
HETATM   41  H   UNL     1       0.171  -2.436  -3.549  1.00  0.00           H  
HETATM   42  H   UNL     1       1.828  -0.956  -2.495  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.556  -0.851   2.004  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.303  -2.596   2.247  1.00  0.00           H  
HETATM   45  H   UNL     1       1.096  -1.504   2.118  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.435  -4.664  -2.346  1.00  0.00           H  
HETATM   47  H   UNL     1       3.785  -2.229  -1.675  1.00  0.00           H  
HETATM   48  H   UNL     1       5.315  -1.785  -0.881  1.00  0.00           H  
HETATM   49  H   UNL     1       4.787  -3.485  -0.907  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.461   3.017  -0.197  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.899   4.063  -3.660  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.685  -0.237   4.109  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.434  -1.669   2.545  1.00  0.00           H  
CONECT    1   20   20    3   22                                       
CONECT    2   25   20   10   10                                       
CONECT    3    1   21   33   34                                       
CONECT    4    5   27   35   36                                       
CONECT    5   12    4   11   11                                       
CONECT    6   31   31   11   37                                       
CONECT    7   14   14   16   20                                       
CONECT    8   18   17   16   16                                       
CONECT    9   24   23   23   38                                       
CONECT   10    2    2   23   22                                       
CONECT   11    5    5    6   39                                       
CONECT   12   32   32    5   40                                       
CONECT   13   18   18   14   41                                       
CONECT   14   13    7    7   42                                       
CONECT   15   16   43   44   45                                       
CONECT   16    8    8    7   15                                       
CONECT   17    8                                                      
CONECT   18   19   13   13    8                                       
CONECT   19   18   46                                                 
CONECT   20    7    2    1    1                                       
CONECT   21    3   47   48   49                                       
CONECT   22    1   10                                                 
CONECT   23    9    9   10                                            
CONECT   24   25   25    9                                            
CONECT   25   26   24   24    2                                       
CONECT   26   27   25                                                 
CONECT   27    4   28   26   50                                       
CONECT   28   29   29   30   27                                       
CONECT   29   28   28                                                 
CONECT   30   28   51                                                 
CONECT   31   32    6    6   52                                       
CONECT   32   12   12   31   53                                       
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   27                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
