COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.799   2.032   1.232  1.00  0.00           O  
HETATM    2  C   UNL     1       7.598   0.853   0.623  1.00  0.00           C  
HETATM    3  OXT UNL     1       8.397  -0.042   0.761  1.00  0.00           O  
HETATM    4  CA  UNL     1       6.375   0.646  -0.233  1.00  0.00           C  
HETATM    5  N   UNL     1       6.601  -0.484  -1.145  1.00  0.00           N  
HETATM    6  C   UNL     1       5.171   0.346   0.662  1.00  0.00           C  
HETATM    7  C   UNL     1       3.907   0.259  -0.196  1.00  0.00           C  
HETATM    8  C   UNL     1       2.703  -0.042   0.699  1.00  0.00           C  
HETATM    9  C   UNL     1       1.458  -0.128  -0.146  1.00  0.00           C  
HETATM   10  O   UNL     1       1.527   0.035  -1.346  1.00  0.00           O  
HETATM   11  N   UNL     1       0.268  -0.385   0.432  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.942  -0.469  -0.390  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.077  -1.883  -0.957  1.00  0.00           C  
HETATM   14  S   UNL     1       0.374  -2.266  -1.977  1.00  0.00           S  
HETATM   15  C   UNL     1      -2.147  -0.151   0.457  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.009   0.118   1.627  1.00  0.00           O  
HETATM   17  O   UNL     1      -3.374  -0.166  -0.088  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.488   0.150   0.788  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.004  -1.116   1.422  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.039  -1.066   2.275  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.485  -2.176   1.163  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.606   0.805  -0.026  1.00  0.00           C  
HETATM   23  S   UNL     1      -4.985   2.329  -0.789  1.00  0.00           S  
HETATM   24  C   UNL     1      -6.430   2.949  -1.695  1.00  0.00           C  
HETATM   25  H   UNL     1       8.597   2.118   1.770  1.00  0.00           H  
HETATM   26  HA  UNL     1       6.181   1.548  -0.813  1.00  0.00           H  
HETATM   27  H1  UNL     1       6.784  -1.332  -0.631  1.00  0.00           H  
HETATM   28  H2  UNL     1       5.821  -0.603  -1.774  1.00  0.00           H  
HETATM   29  H   UNL     1       5.327  -0.603   1.175  1.00  0.00           H  
HETATM   30  H   UNL     1       5.057   1.142   1.397  1.00  0.00           H  
HETATM   31  H   UNL     1       3.750   1.207  -0.710  1.00  0.00           H  
HETATM   32  H   UNL     1       4.021  -0.538  -0.931  1.00  0.00           H  
HETATM   33  H   UNL     1       2.859  -0.990   1.212  1.00  0.00           H  
HETATM   34  H   UNL     1       2.589   0.755   1.434  1.00  0.00           H  
HETATM   35  H   UNL     1       0.213  -0.516   1.391  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.875   0.247  -1.209  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.144  -2.599  -0.138  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.977  -1.945  -1.569  1.00  0.00           H  
HETATM   39  H   UNL     1       0.123  -3.517  -2.403  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.155   0.837   1.566  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.939   0.118  -0.804  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.443   1.043   0.631  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.334  -1.904   2.657  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.169   3.878  -2.202  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.742   2.209  -2.432  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.246   3.133  -0.996  1.00  0.00           H  
CONECT    1    2   25                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    6   26                                       
CONECT    5    4   27   28                                            
CONECT    6    4    7   29   30                                       
CONECT    7    6    8   31   32                                       
CONECT    8    7    9   33   34                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   35                                            
CONECT   12   11   13   15   36                                       
CONECT   13   12   14   37   38                                       
CONECT   14   13   39                                                 
CONECT   15   12   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18                                                 
CONECT   18   17   19   22   40                                       
CONECT   19   18   20   21   21                                       
CONECT   20   19   43                                                 
CONECT   21   19   19                                                 
CONECT   22   18   23   41   42                                       
CONECT   23   22   24                                                 
CONECT   24   23   44   45   46                                       
CONECT   25    1                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   18                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   20                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
