COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.178   0.808   0.235  1.00  0.00           C  
HETATM    2  C   UNL     1       2.895   0.262   0.166  1.00  0.00           C  
HETATM    3  C   UNL     1       1.996  -0.709   0.621  1.00  0.00           C  
HETATM    4  N   UNL     1       3.514   2.249  -0.641  1.00  0.00           N  
HETATM    5  C   UNL     1       7.521  -1.686   0.430  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.410  -0.582   1.262  1.00  0.00           N  
HETATM    7  C   UNL     1       4.349   0.299   0.006  1.00  0.00           C  
HETATM    8  O   UNL     1       6.980   0.483  -0.328  1.00  0.00           O  
HETATM    9  C   UNL     1       6.562  -0.569   0.108  1.00  0.00           C  
HETATM   10  C   UNL     1       8.231  -2.368  -0.742  1.00  0.00           C  
HETATM   11  C   UNL     1       9.009  -1.432   0.185  1.00  0.00           C  
HETATM   12  N   UNL     1       5.239  -0.738   0.305  1.00  0.00           N  
HETATM   13  N   UNL     1       4.666   1.475  -0.467  1.00  0.00           N  
HETATM   14  C   UNL     1       2.419   1.518  -0.257  1.00  0.00           C  
HETATM   15  C   UNL     1       1.054   1.783  -0.219  1.00  0.00           C  
HETATM   16  C   UNL     1       0.661  -0.438   0.653  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.278   1.089   0.283  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.161   0.118   0.749  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.520   0.389   0.797  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.997   1.626   0.381  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.119   2.589  -0.081  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.765   2.327  -0.132  1.00  0.00           C  
HETATM   23  S   UNL     1      -5.817  -0.879   0.440  1.00  0.00           S  
HETATM   24  O   UNL     1      -6.464  -1.886   1.205  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.403   0.405   0.273  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.274  -1.543  -1.159  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.350  -1.815  -2.212  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.396  -0.630  -2.381  1.00  0.00           C  
HETATM   29  H   UNL     1       2.360  -1.673   0.945  1.00  0.00           H  
HETATM   30  H   UNL     1       3.493   3.158  -0.980  1.00  0.00           H  
HETATM   31  H   UNL     1       7.250  -2.306   1.284  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.205  -1.082   2.068  1.00  0.00           H  
HETATM   33  H   UNL     1       8.427  -3.437  -0.658  1.00  0.00           H  
HETATM   34  H   UNL     1       8.004  -2.008  -1.746  1.00  0.00           H  
HETATM   35  H   UNL     1       9.295  -0.456  -0.210  1.00  0.00           H  
HETATM   36  H   UNL     1       9.718  -1.885   0.878  1.00  0.00           H  
HETATM   37  H   UNL     1       4.905  -1.579   0.653  1.00  0.00           H  
HETATM   38  H   UNL     1       0.678   2.743  -0.541  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.030  -1.190   1.005  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.788  -0.843   1.071  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.055   1.836   0.418  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.494   3.549  -0.403  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.082   3.084  -0.489  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.424  -2.223  -1.121  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.207  -2.674  -2.868  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.384  -1.594  -1.945  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.802   0.369  -2.224  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.625  -0.710  -3.147  1.00  0.00           H  
CONECT    1   17   16   16   15                                       
CONECT    2    3    3   14    7                                       
CONECT    3   16    2    2   29                                       
CONECT    4   14   13   30                                            
CONECT    5    9   10   11   31                                       
CONECT    6   23   19   32                                            
CONECT    7    2   12   13   13                                       
CONECT    8    9    9                                                 
CONECT    9    8    8   12    5                                       
CONECT   10    5   11   33   34                                       
CONECT   11   10    5   35   36                                       
CONECT   12    7    9   37                                            
CONECT   13    4    7    7                                            
CONECT   14   15   15    2    4                                       
CONECT   15    1   14   14   38                                       
CONECT   16    1    1    3   39                                       
CONECT   17   18   18   22    1                                       
CONECT   18   19   17   17   40                                       
CONECT   19    6   20   20   18                                       
CONECT   20   19   19   21   41                                       
CONECT   21   20   22   22   42                                       
CONECT   22   21   21   17   43                                       
CONECT   23   25   25   26    6                                       
CONECT   23   24   24                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   28   23   27   44                                       
CONECT   27   28   26   45   46                                       
CONECT   28   26   27   47   48                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
