COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNK A   1       3.972   0.085  -1.933  1.00  0.00           S  
HETATM    2  C   UNK A   1       5.126   1.241  -1.067  1.00  0.00           C  
HETATM    3  C   UNK A   1       4.961   0.695   0.379  1.00  0.00           C  
HETATM    4  N   UNK A   1       4.808  -0.764   0.394  1.00  0.00           N  
HETATM    5  C   UNK A   1       4.235  -1.365  -0.835  1.00  0.00           C  
HETATM    6  C   UNK A   1       3.006  -1.758  -0.012  1.00  0.00           C  
HETATM    7  C   UNK A   1       3.779  -1.266   1.194  1.00  0.00           C  
HETATM    8  N   UNK A   1       1.814  -0.962  -0.316  1.00  0.00           N  
HETATM    9  C   UNK A   0       0.588  -1.471  -0.085  1.00  0.00           C  
HETATM   10  O   UNK A   0       0.471  -2.587   0.374  1.00  0.00           O  
HETATM   11  C   UNK A   0      -0.639  -0.653  -0.398  1.00  0.00           C  
HETATM   12  C   UNK A   0      -1.892  -1.457  -0.046  1.00  0.00           C  
HETATM   13  C   UNK A   0      -3.137  -0.626  -0.363  1.00  0.00           C  
HETATM   14  C   UNK A   0      -4.390  -1.431  -0.011  1.00  0.00           C  
HETATM   15  C   UNK A   0      -5.635  -0.600  -0.328  1.00  0.00           C  
HETATM   16  C   UNK A   0      -6.868  -1.435  -0.098  1.00  0.00           C  
HETATM   17  O   ACE A   2      -7.608  -1.184   0.839  1.00  0.00           O  
HETATM   18  O   ACE A   2      -7.126  -2.361  -0.847  1.00  0.00           O1-
HETATM   19  N   UNK A   0      -5.672   0.577   0.543  1.00  0.00           N  
HETATM   20  C   UNK A   1      -6.336   1.683   0.154  1.00  0.00           C  
HETATM   21  O   UNK A   1      -6.903   1.704  -0.918  1.00  0.00           O  
HETATM   22  C   UNK A   1      -6.374   2.894   1.050  1.00  0.00           C  
HETATM   23  N   UNK A   1      -7.155   3.957   0.404  1.00  0.00           N1+
HETATM   24  C   UNK A   1       6.563   1.081  -1.567  1.00  0.00           C  
HETATM   25  C   UNK A   1       4.656   2.693  -1.177  1.00  0.00           C  
HETATM   26  C   UNK A   1       6.157   1.073   1.213  1.00  0.00           C  
HETATM   27  O   ACE A   2       6.378   2.245   1.467  1.00  0.00           O1-
HETATM   28  O   ACE A   2       6.905   0.206   1.635  1.00  0.00           O  
HETATM   29  O   UNK A   1       3.588  -1.304   2.391  1.00  0.00           O  
HETATM   30  H   UNK A   1       4.069   1.150   0.810  1.00  0.00           H  
HETATM   31  H   UNK A   1       4.792  -2.188  -1.283  1.00  0.00           H  
HETATM   32  H   UNK A   1       2.810  -2.830   0.000  1.00  0.00           H  
HETATM   33  H   UNK A   1       1.908  -0.069  -0.683  1.00  0.00           H  
HETATM   34  H   UNK A   0      -0.621   0.267   0.187  1.00  0.00           H  
HETATM   35  H   UNK A   0      -0.651  -0.408  -1.460  1.00  0.00           H  
HETATM   36  H   UNK A   0      -1.910  -2.377  -0.630  1.00  0.00           H  
HETATM   37  H   UNK A   0      -1.879  -1.702   1.017  1.00  0.00           H  
HETATM   38  H   UNK A   0      -3.119   0.293   0.222  1.00  0.00           H  
HETATM   39  H   UNK A   0      -3.149  -0.381  -1.425  1.00  0.00           H  
HETATM   40  H   UNK A   0      -4.408  -2.350  -0.596  1.00  0.00           H  
HETATM   41  H   UNK A   0      -4.378  -1.675   1.051  1.00  0.00           H  
HETATM   42  H   UNK A   0      -5.602  -0.280  -1.370  1.00  0.00           H  
HETATM   43  H   UNK A   0      -5.218   0.560   1.400  1.00  0.00           H  
HETATM   44  H   UNK A   1      -6.839   2.629   2.000  1.00  0.00           H  
HETATM   45  H   UNK A   1      -5.358   3.246   1.229  1.00  0.00           H  
HETATM   46  H   UNK A   1      -6.725   4.203  -0.475  1.00  0.00           H  
HETATM   47  H   UNK A   1      -8.095   3.631   0.239  1.00  0.00           H  
HETATM   48  H   UNK A   1      -7.180   4.768   1.004  1.00  0.00           H  
HETATM   49  H   UNK A   1       7.229   1.697  -0.962  1.00  0.00           H  
HETATM   50  H   UNK A   1       6.862   0.036  -1.486  1.00  0.00           H  
HETATM   51  H   UNK A   1       6.622   1.396  -2.609  1.00  0.00           H  
HETATM   52  H   UNK A   1       4.709   3.013  -2.218  1.00  0.00           H  
HETATM   53  H   UNK A   1       3.627   2.769  -0.825  1.00  0.00           H  
HETATM   54  H   UNK A   1       5.297   3.329  -0.568  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3   24   25                                       
CONECT    3    2    4   26   30                                       
CONECT    4    3    5    7                                            
CONECT    5    1    4    6   31                                       
CONECT    6    5    7    8   32                                       
CONECT    7    4    6   29   29                                       
CONECT    8    6    9   33                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   34   35                                       
CONECT   12   11   13   36   37                                       
CONECT   13   12   14   38   39                                       
CONECT   14   13   15   40   41                                       
CONECT   15   14   16   19   42                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16                                                      
CONECT   19   15   20   43                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   44   45                                       
CONECT   23   22   46   47   48                                       
CONECT   24    2   49   50   51                                       
CONECT   25    2   52   53   54                                       
CONECT   26    3   27   28   28                                       
CONECT   27   26                                                      
CONECT   28   26   26                                                 
CONECT   29    7    7                                                 
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   19                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
