COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.905   3.138  -1.036  1.00  0.00           O  
HETATM    2  C   UNL     1       3.594   0.917   0.095  1.00  0.00           C  
HETATM    3  OXT UNL     1      -1.382   4.095   0.248  1.00  0.00           O  
HETATM    4  CA  UNL     1      -1.804   1.670   0.442  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.958   0.762   0.217  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.384  -0.600   0.358  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.267  -1.628  -0.352  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.699  -1.523   0.178  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.257  -0.264  -0.203  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.621   0.980  -0.271  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.003  -0.513  -0.326  1.00  0.00           C  
HETATM   12  C   UNL     1       2.186   0.600  -0.451  1.00  0.00           C  
HETATM   13  C   UNL     1       3.644  -1.255  -0.907  1.00  0.00           C  
HETATM   14  C   UNL     1       2.178  -0.951  -0.510  1.00  0.00           C  
HETATM   15  C   UNL     1       5.767  -0.373   0.152  1.00  0.00           C  
HETATM   16  C   UNL     1       6.521  -1.627  -0.205  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.071   3.021  -0.169  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.727  -3.035  -0.086  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.362  -3.193  -0.761  1.00  0.00           C  
HETATM   20  N   UNL     1       4.446  -0.247  -0.190  1.00  0.00           N  
HETATM   21  N   UNL     1       6.365   0.585   0.782  1.00  0.00           N  
HETATM   22  O   UNL     1      -2.588  -3.234   1.322  1.00  0.00           O  
HETATM   23  S   UNL     1       0.906   1.206   0.682  1.00  0.00           S  
HETATM   24  H   UNL     1       3.994   1.801  -0.403  1.00  0.00           H  
HETATM   25  H   UNL     1       3.544   1.088   1.170  1.00  0.00           H  
HETATM   26  HXT UNL     1      -1.588   4.940  -0.174  1.00  0.00           H  
HETATM   27  HA  UNL     1      -1.601   1.768   1.509  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.683   0.922   0.900  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.273  -0.859   1.411  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.262  -1.433  -1.424  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.301  -2.330  -0.240  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.690  -1.603   1.266  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.165  -0.129   0.100  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.503   1.378  -1.278  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.272  -1.111   0.219  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.071  -0.849  -1.361  1.00  0.00           H  
HETATM   37  H   UNL     1       2.053   1.026  -1.446  1.00  0.00           H  
HETATM   38  H   UNL     1       3.923  -2.259  -0.587  1.00  0.00           H  
HETATM   39  H   UNL     1       3.775  -1.151  -1.984  1.00  0.00           H  
HETATM   40  H   UNL     1       1.941  -1.377   0.465  1.00  0.00           H  
HETATM   41  H   UNL     1       1.485  -1.309  -1.271  1.00  0.00           H  
HETATM   42  H   UNL     1       6.430  -2.349   0.606  1.00  0.00           H  
HETATM   43  H   UNL     1       6.106  -2.053  -1.119  1.00  0.00           H  
HETATM   44  H   UNL     1       7.573  -1.387  -0.361  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.420  -3.773  -0.491  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.612  -2.638  -0.197  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.090  -4.248  -0.787  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.413  -2.805  -1.778  1.00  0.00           H  
HETATM   49  H   UNL     1       5.880   1.392   1.012  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.249  -4.107   1.564  1.00  0.00           H  
CONECT    1   17   17                                                 
CONECT    2   20   12   24   25                                       
CONECT    3   17   26                                                 
CONECT    4   17   10    5   27                                       
CONECT    5    4    6   28                                            
CONECT    6    5   11    7   29                                       
CONECT    7    6    8   18   30                                       
CONECT    8    9    7   31   32                                       
CONECT    9    8   33                                                 
CONECT   10    4   23   11   34                                       
CONECT   11   10    6   35   36                                       
CONECT   12    2   14   23   37                                       
CONECT   13   20   14   38   39                                       
CONECT   14   13   12   40   41                                       
CONECT   15   16   21   21   20                                       
CONECT   16   15   42   43   44                                       
CONECT   17    1    1    3    4                                       
CONECT   18    7   22   19   45                                       
CONECT   19   18   46   47   48                                       
CONECT   20   15    2   13                                            
CONECT   21   15   15   49                                            
CONECT   22   18   50                                                 
CONECT   23   12   10                                                 
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
