COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.650  -3.465  -0.187  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.165   1.537   0.637  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.117   0.872  -1.339  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.183   0.743  -0.453  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.263  -0.441   0.303  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.238  -1.497   0.133  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.574  -3.674  -0.605  1.00  0.00           C  
HETATM    8 CL   UNL     1      -5.547   0.150   2.506  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -4.250   0.370   1.374  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.139   1.726  -0.276  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.560  -2.714  -0.466  1.00  0.00           C  
HETATM   12  C   UNL     1       1.026  -2.312   0.400  1.00  0.00           C  
HETATM   13  C   UNL     1       0.085  -1.296   0.575  1.00  0.00           C  
HETATM   14  S   UNL     1       0.837   0.086   1.360  1.00  0.00           S  
HETATM   15  C   UNL     1       2.391  -0.722   1.438  1.00  0.00           C  
HETATM   16  C   UNL     1       3.636  -0.113   2.030  1.00  0.00           C  
HETATM   17  N   UNL     1       4.373   0.604   0.987  1.00  0.00           N  
HETATM   18  C   UNL     1       5.306   0.019   0.226  1.00  0.00           C  
HETATM   19  O   UNL     1       5.652  -1.141   0.306  1.00  0.00           O  
HETATM   20  C   UNL     1       5.862   1.033  -0.749  1.00  0.00           C  
HETATM   21  C   UNL     1       5.080   2.320  -0.417  1.00  0.00           C  
HETATM   22  C   UNL     1       4.164   1.897   0.711  1.00  0.00           C  
HETATM   23  O   UNL     1       3.364   2.615   1.272  1.00  0.00           O  
HETATM   24  C   UNL     1       2.331  -1.931   0.912  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.303  -0.622   1.209  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.757  -0.427  -1.922  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.066  -0.321  -3.293  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.911  -1.466  -3.698  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.914  -1.114  -2.669  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.356   1.875  -2.382  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.739   3.198  -1.705  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.113   3.015  -1.058  1.00  0.00           C  
HETATM   33  H   UNL     1      -4.909   2.308   0.771  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.819  -4.618  -1.069  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.563  -2.904  -0.816  1.00  0.00           H  
HETATM   36  H   UNL     1       3.359   0.582   2.823  1.00  0.00           H  
HETATM   37  H   UNL     1       4.266  -0.902   2.442  1.00  0.00           H  
HETATM   38  H   UNL     1       6.929   1.180  -0.584  1.00  0.00           H  
HETATM   39  H   UNL     1       5.671   0.723  -1.776  1.00  0.00           H  
HETATM   40  H   UNL     1       5.758   3.107  -0.086  1.00  0.00           H  
HETATM   41  H   UNL     1       4.499   2.650  -1.279  1.00  0.00           H  
HETATM   42  H   UNL     1       3.188  -2.588   0.867  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.364  -1.531   1.788  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.238  -1.079  -1.219  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.291   0.602  -3.829  1.00  0.00           H  
HETATM   46  H   UNL     1       1.000  -0.547  -3.267  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.461  -2.342  -3.479  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.326  -1.976  -2.144  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.681  -0.423  -3.022  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.448   2.019  -2.967  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.162   1.540  -3.034  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.002   3.448  -0.942  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.784   3.993  -2.450  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.878   2.984  -1.834  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.312   3.851  -0.387  1.00  0.00           H  
CONECT    1   12   12    7                                            
CONECT    2   10   10    9   33                                       
CONECT    3   30    4   26                                            
CONECT    4   10    3    5    5                                       
CONECT    5    4    4   25    6                                       
CONECT    6    5   13   13   11                                       
CONECT    7   11   11    1   34                                       
CONECT    8    9                                                      
CONECT    9    2    8   25   25                                       
CONECT   10   32    2    2    4                                       
CONECT   11    6    7    7   35                                       
CONECT   12   13   24    1    1                                       
CONECT   13   14    6    6   12                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   24   24                                       
CONECT   16   17   15   36   37                                       
CONECT   17   18   22   16                                            
CONECT   18   20   19   19   17                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   38   39                                       
CONECT   21   20   22   40   41                                       
CONECT   22   21   17   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   15   15   12   42                                       
CONECT   25    9    9    5   43                                       
CONECT   26   29    3   27   44                                       
CONECT   27   28   26   45   46                                       
CONECT   28   29   27   47                                            
CONECT   29   28   26   48   49                                       
CONECT   30   31    3   50   51                                       
CONECT   31   32   30   52   53                                       
CONECT   32   31   10   54   55                                       
CONECT   33    2                                                      
CONECT   34    7                                                      
CONECT   35   11                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
CONECT   55   32                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
