COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.241   0.029  -1.296  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.673   0.505  -0.183  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.988   0.232   1.127  1.00  0.00           C  
HETATM    4  C   UNL     1       1.238   0.437   0.251  1.00  0.00           C  
HETATM    5  N   UNL     1       0.347   0.829   1.096  1.00  0.00           N  
HETATM    6  C   UNL     1       1.029  -0.632  -0.738  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.170  -0.794  -1.444  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.289  -1.851  -2.358  1.00  0.00           C  
HETATM    9  C   UNL     1       0.761  -2.716  -2.567  1.00  0.00           C  
HETATM   10  C   UNL     1       1.950  -2.550  -1.875  1.00  0.00           C  
HETATM   11  C   UNL     1       2.087  -1.522  -0.970  1.00  0.00           C  
HETATM   12  C   UNL     1       2.560   1.106   0.277  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.792   1.288  -0.191  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.729   1.785  -1.210  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.007   2.983  -0.292  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.594   2.000   0.815  1.00  0.00           C  
HETATM   17  C   UNL     1       3.369   1.103  -0.859  1.00  0.00           C  
HETATM   18  C   UNL     1       4.598   1.729  -0.828  1.00  0.00           C  
HETATM   19  C   UNL     1       5.029   2.358   0.327  1.00  0.00           C  
HETATM   20  C   UNL     1       4.231   2.364   1.457  1.00  0.00           C  
HETATM   21  C   UNL     1       2.997   1.747   1.436  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.872  -1.256   1.335  1.00  0.00           C  
HETATM   23  S   UNL     1      -1.955  -2.463   0.655  1.00  0.00           S  
HETATM   24  C   UNL     1      -1.041  -3.757   1.419  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.024  -3.240   2.109  1.00  0.00           C  
HETATM   26  C   UNL     1       0.073  -1.860   2.058  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.109   4.080  -0.472  1.00  0.00           O  
HETATM   28  H   UNL     1      -1.566   0.672   1.940  1.00  0.00           H  
HETATM   29  H   UNL     1       3.017  -1.400  -0.435  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.212  -1.988  -2.902  1.00  0.00           H  
HETATM   31  H   UNL     1       0.658  -3.527  -3.272  1.00  0.00           H  
HETATM   32  H   UNL     1       2.772  -3.230  -2.045  1.00  0.00           H  
HETATM   33  H   UNL     1       3.034   0.612  -1.760  1.00  0.00           H  
HETATM   34  H   UNL     1       2.373   1.756   2.318  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.246   2.060  -2.148  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.595   1.139  -1.355  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.424   1.410   1.204  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.996   2.457   1.603  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.055   3.283  -0.252  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.287   4.833   0.108  1.00  0.00           H  
HETATM   41  H   UNL     1       5.226   1.727  -1.707  1.00  0.00           H  
HETATM   42  H   UNL     1       5.993   2.845   0.346  1.00  0.00           H  
HETATM   43  H   UNL     1       4.572   2.857   2.355  1.00  0.00           H  
HETATM   44  H   UNL     1       0.852  -1.313   2.568  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.270  -4.810   1.342  1.00  0.00           H  
HETATM   46  H   UNL     1       0.674  -3.851   2.661  1.00  0.00           H  
CONECT    1    2    2    7                                            
CONECT    2    1    1    3   13                                       
CONECT    3    2    5   22   28                                       
CONECT    4    5    5    6   12                                       
CONECT    5    3    4    4                                            
CONECT    6    4    7   11   11                                       
CONECT    7    1    6    8    8                                       
CONECT    8    7    7    9   30                                       
CONECT    9    8   10   10   31                                       
CONECT   10    9    9   11   32                                       
CONECT   11    6    6   10   29                                       
CONECT   12    4   17   21   21                                       
CONECT   13    2   14   16                                            
CONECT   14   13   15   35   36                                       
CONECT   15   14   16   27   39                                       
CONECT   16   13   15   37   38                                       
CONECT   17   12   18   18   33                                       
CONECT   18   17   17   19   41                                       
CONECT   19   18   20   20   42                                       
CONECT   20   19   19   21   43                                       
CONECT   21   12   12   20   34                                       
CONECT   22    3   23   26   26                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   45                                       
CONECT   25   24   24   26   46                                       
CONECT   26   22   22   25   44                                       
CONECT   27   15   40                                                 
CONECT   28    3                                                      
CONECT   29   11                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   17                                                      
CONECT   34   21                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   15                                                      
CONECT   40   27                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   26                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
