COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.647   2.686  -0.624  1.00  0.00           N  
HETATM    2  N   UNL     1       1.861   0.422  -0.353  1.00  0.00           N  
HETATM    3  C   UNL     1       1.385   2.378   0.986  1.00  0.00           C  
HETATM    4  C   UNL     1       2.254   1.649   0.196  1.00  0.00           C  
HETATM    5  C   UNL     1       0.584   0.236  -0.742  1.00  0.00           C  
HETATM    6  C   UNL     1       0.183  -1.046  -1.424  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.308  -0.994  -1.755  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.471  -2.838   0.243  1.00  0.00           C  
HETATM    9  C   UNL     1       2.160  -3.698   0.367  1.00  0.00           C  
HETATM   10  C   UNL     1       0.490  -2.207  -0.516  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.629   0.827  -0.169  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.060   2.170   0.028  1.00  0.00           C  
HETATM   13  C   UNL     1       3.536   2.160  -0.044  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.621   3.207   0.180  1.00  0.00           N  
HETATM   15  C   UNL     1      -7.068   0.737  -0.679  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.748   0.388   0.777  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.643  -0.244  -0.642  1.00  0.00           C  
HETATM   18  S   UNL     1      -3.014   0.068   0.091  1.00  0.00           S  
HETATM   19  O   UNL     1      -2.444   1.253  -0.447  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.046  -0.158   1.493  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.057  -1.149  -0.497  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.921  -2.424   0.214  1.00  0.00           C  
HETATM   23  C   UNL     1       1.808  -2.645  -0.453  1.00  0.00           C  
HETATM   24 CL   UNL     1       3.809  -4.234   0.436  1.00  0.00          Cl  
HETATM   25  C   UNL     1       1.194  -4.325   1.134  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.116  -3.894   1.070  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.243   1.102  -0.543  1.00  0.00           O  
HETATM   28  N   UNL     1       1.742   3.539   1.512  1.00  0.00           N  
HETATM   29  C   UNL     1       2.932   4.065   1.319  1.00  0.00           C  
HETATM   30  N   UNL     1       4.626   1.737  -0.748  1.00  0.00           N  
HETATM   31  C   UNL     1       4.714   0.490  -1.512  1.00  0.00           C  
HETATM   32  C   UNL     1       3.878   3.400   0.534  1.00  0.00           C  
HETATM   33  C   UNL     1       5.248   3.678   0.121  1.00  0.00           C  
HETATM   34  H   UNL     1       2.507  -0.294  -0.453  1.00  0.00           H  
HETATM   35  H   UNL     1       0.395   1.992   1.177  1.00  0.00           H  
HETATM   36  H   UNL     1       0.752  -1.154  -2.348  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.550  -0.036  -2.214  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.562  -1.805  -2.438  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.595   1.673  -0.868  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.314  -0.085  -1.351  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.784  -0.663   1.062  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.064   1.094   1.545  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.999  -1.227  -0.333  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.565  -0.211  -1.729  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.506  -3.189  -0.297  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.286  -2.311   1.235  1.00  0.00           H  
HETATM   47  H   UNL     1       2.563  -2.156  -1.051  1.00  0.00           H  
HETATM   48  H   UNL     1       1.464  -5.147   1.780  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.870  -4.384   1.668  1.00  0.00           H  
HETATM   50  H   UNL     1       3.179   5.015   1.769  1.00  0.00           H  
HETATM   51  H   UNL     1       4.998  -0.325  -0.846  1.00  0.00           H  
HETATM   52  H   UNL     1       3.745   0.270  -1.961  1.00  0.00           H  
HETATM   53  H   UNL     1       5.462   0.596  -2.297  1.00  0.00           H  
HETATM   54  H   UNL     1       5.828   4.549   0.386  1.00  0.00           H  
CONECT    1   33   33   30                                            
CONECT    2    4    5   34                                            
CONECT    3   28   28    4   35                                       
CONECT    4   13   13    3    2                                       
CONECT    5    2    6   27   27                                       
CONECT    6    5    7   10   36                                       
CONECT    7    6   21   37   38                                       
CONECT    8   10   22   26   26                                       
CONECT    9   23   24   25   25                                       
CONECT   10    6   23   23    8                                       
CONECT   11   15   16   17   12                                       
CONECT   12   11   14   14   14                                       
CONECT   13   32   30    4    4                                       
CONECT   14   12   12   12                                            
CONECT   15   16   11   39   40                                       
CONECT   16   15   11   41   42                                       
CONECT   17   11   18   43   44                                       
CONECT   18   19   19   17   21                                       
CONECT   18   20   20                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21    7   18   22                                            
CONECT   22   21    8   45   46                                       
CONECT   23   10   10    9   47                                       
CONECT   24    9                                                      
CONECT   25    9    9   26   48                                       
CONECT   26    8    8   25   49                                       
CONECT   27    5    5                                                 
CONECT   28   29    3    3                                            
CONECT   29   32   32   28   50                                       
CONECT   30    1   13   31                                            
CONECT   31   30   51   52   53                                       
CONECT   32   33   29   29   13                                       
CONECT   33    1    1   32   54                                       
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   29                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
