COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       1.077   0.872  -0.289  1.00  0.00           S  
HETATM    2  C   UNL     1      -0.158   2.187  -0.149  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.495   1.672  -0.614  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.407   1.094   0.128  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.428   0.805  -0.710  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.080   1.221  -1.901  1.00  0.00           N  
HETATM    7  O   UNL     1      -1.977   1.724  -1.860  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.704   0.141  -0.348  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.671  -0.093  -1.324  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.856  -0.711  -0.985  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.086  -1.100   0.328  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.125  -0.868   1.303  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.936  -0.256   0.968  1.00  0.00           C  
HETATM   14  O   UNL     1      -8.255  -1.708   0.660  1.00  0.00           O  
HETATM   15  C   UNL     1      -8.426  -2.082   2.029  1.00  0.00           C  
HETATM   16  C   UNL     1       2.501   1.724   0.303  1.00  0.00           C  
HETATM   17  N   UNL     1       3.764   1.213   0.424  1.00  0.00           N  
HETATM   18  C   UNL     1       4.530   2.233   0.921  1.00  0.00           C  
HETATM   19  N   UNL     1       3.749   3.266   1.073  1.00  0.00           N  
HETATM   20  N   UNL     1       2.553   2.973   0.705  1.00  0.00           N  
HETATM   21  C   UNL     1       6.003   2.174   1.234  1.00  0.00           C  
HETATM   22  C   UNL     1       4.186  -0.088   0.107  1.00  0.00           C  
HETATM   23  C   UNL     1       4.151  -0.527  -1.209  1.00  0.00           C  
HETATM   24  C   UNL     1       4.567  -1.806  -1.521  1.00  0.00           C  
HETATM   25  C   UNL     1       5.019  -2.653  -0.519  1.00  0.00           C  
HETATM   26  C   UNL     1       5.054  -2.214   0.796  1.00  0.00           C  
HETATM   27  C   UNL     1       4.644  -0.933   1.108  1.00  0.00           C  
HETATM   28  O   UNL     1       5.427  -3.913  -0.827  1.00  0.00           O  
HETATM   29  C   UNL     1       5.880  -4.730   0.255  1.00  0.00           C  
HETATM   30  H   UNL     1      -0.233   2.506   0.891  1.00  0.00           H  
HETATM   31  H   UNL     1       0.141   3.033  -0.768  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.493   0.210  -2.346  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.606  -0.893  -1.741  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.307  -1.171   2.323  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.187  -0.079   1.726  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.369  -1.193   2.657  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.399  -2.556   2.157  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.641  -2.780   2.315  1.00  0.00           H  
HETATM   39  H   UNL     1       6.574   2.463   0.352  1.00  0.00           H  
HETATM   40  H   UNL     1       6.228   2.857   2.053  1.00  0.00           H  
HETATM   41  H   UNL     1       6.272   1.158   1.524  1.00  0.00           H  
HETATM   42  H   UNL     1       3.799   0.131  -1.989  1.00  0.00           H  
HETATM   43  H   UNL     1       4.540  -2.148  -2.546  1.00  0.00           H  
HETATM   44  H   UNL     1       5.405  -2.874   1.576  1.00  0.00           H  
HETATM   45  H   UNL     1       4.676  -0.590   2.132  1.00  0.00           H  
HETATM   46  H   UNL     1       6.175  -5.707  -0.128  1.00  0.00           H  
HETATM   47  H   UNL     1       6.734  -4.254   0.736  1.00  0.00           H  
HETATM   48  H   UNL     1       5.076  -4.851   0.980  1.00  0.00           H  
CONECT    1    2   16                                                 
CONECT    2    1    3   30   31                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    6    8                                       
CONECT    6    5    5    7                                            
CONECT    7    3    6                                                 
CONECT    8    5    9    9   13                                       
CONECT    9    8    8   10   32                                       
CONECT   10    9   11   11   33                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   34                                       
CONECT   13    8   12   12   35                                       
CONECT   14   11   15                                                 
CONECT   15   14   36   37   38                                       
CONECT   16    1   17   20   20                                       
CONECT   17   16   18   22                                            
CONECT   18   17   19   19   21                                       
CONECT   19   18   18   20                                            
CONECT   20   16   16   19                                            
CONECT   21   18   39   40   41                                       
CONECT   22   17   23   23   27                                       
CONECT   23   22   22   24   42                                       
CONECT   24   23   25   25   43                                       
CONECT   25   24   24   26   28                                       
CONECT   26   25   27   27   44                                       
CONECT   27   22   26   26   45                                       
CONECT   28   25   29                                                 
CONECT   29   28   46   47   48                                       
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
