COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.001   2.079  -0.326  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.960  -1.076  -0.026  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.067  -2.021   0.153  1.00  0.00           C  
HETATM    4  C   UNL     1       1.540   1.618   1.701  1.00  0.00           C  
HETATM    5  C   UNL     1       3.299   0.001   0.992  1.00  0.00           C  
HETATM    6  C   UNL     1       2.612  -2.651   0.447  1.00  0.00           C  
HETATM    7  C   UNL     1       2.112   2.036  -0.726  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.967   0.014   0.072  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.029  -0.957   0.258  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.399  -2.292   0.413  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.708  -2.667   0.383  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.702  -1.694   0.193  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.324  -0.335   0.035  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.339   0.620  -0.153  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.635   0.201  -0.176  1.00  0.00           C  
HETATM   16  C   UNL     1       2.094   0.271   1.908  1.00  0.00           C  
HETATM   17  C   UNL     1       2.463  -1.580  -0.602  1.00  0.00           C  
HETATM   18  C   UNL     1       2.643   0.730  -1.367  1.00  0.00           C  
HETATM   19  C   UNL     1       3.286   2.792  -0.101  1.00  0.00           C  
HETATM   20  N   UNL     1       1.125   1.790   0.288  1.00  0.00           N  
HETATM   21  N   UNL     1       2.799  -0.306  -0.317  1.00  0.00           N  
HETATM   22  N   UNL     1       2.783  -3.956  -0.207  1.00  0.00           N  
HETATM   23  O   UNL     1      -0.553   1.979  -1.512  1.00  0.00           O  
HETATM   24  O   UNL     1       2.040  -1.863  -1.703  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.186   2.436   0.863  1.00  0.00           O  
HETATM   26  S   UNL     1      -0.477   1.696  -0.121  1.00  0.00           S  
HETATM   27  H   UNL     1      -2.845   2.534   0.652  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.091   2.172  -0.919  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.821   2.584  -0.835  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.381  -3.047   0.271  1.00  0.00           H  
HETATM   31  H   UNL     1       0.675   1.757   2.350  1.00  0.00           H  
HETATM   32  H   UNL     1       2.298   2.362   1.947  1.00  0.00           H  
HETATM   33  H   UNL     1       3.933   0.886   0.946  1.00  0.00           H  
HETATM   34  H   UNL     1       3.872  -0.843   1.376  1.00  0.00           H  
HETATM   35  H   UNL     1       3.484  -2.437   1.064  1.00  0.00           H  
HETATM   36  H   UNL     1       1.720  -2.673   1.073  1.00  0.00           H  
HETATM   37  H   UNL     1       1.668   2.656  -1.506  1.00  0.00           H  
HETATM   38  H   UNL     1       1.016  -0.688   0.286  1.00  0.00           H  
HETATM   39  H   UNL     1       0.365  -3.041   0.559  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.979  -3.705   0.504  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.419   0.929  -0.320  1.00  0.00           H  
HETATM   42  H   UNL     1       2.408   0.173   2.947  1.00  0.00           H  
HETATM   43  H   UNL     1       1.319  -0.467   1.702  1.00  0.00           H  
HETATM   44  H   UNL     1       1.936   0.380  -2.118  1.00  0.00           H  
HETATM   45  H   UNL     1       3.608   0.922  -1.837  1.00  0.00           H  
HETATM   46  H   UNL     1       3.625   2.263   0.789  1.00  0.00           H  
HETATM   47  H   UNL     1       4.102   2.854  -0.821  1.00  0.00           H  
HETATM   48  H   UNL     1       2.966   3.797   0.173  1.00  0.00           H  
HETATM   49  H   UNL     1       2.769  -4.704   0.470  1.00  0.00           H  
HETATM   50  H   UNL     1       2.081  -4.099  -0.918  1.00  0.00           H  
CONECT    1   14   27   28   29                                       
CONECT    2   15    3    3                                            
CONECT    3    2    2   12   30                                       
CONECT    4   16   20   31   32                                       
CONECT    5   21   16   33   34                                       
CONECT    6   22   17   35   36                                       
CONECT    7   18   19   20   37                                       
CONECT    8   26   13   13    9                                       
CONECT    9    8   10   10   38                                       
CONECT   10    9    9   11   39                                       
CONECT   11   12   12   10   40                                       
CONECT   12   13    3   11   11                                       
CONECT   13   14    8    8   12                                       
CONECT   14    1   15   15   13                                       
CONECT   15   14   14    2   41                                       
CONECT   16    5    4   42   43                                       
CONECT   17   24   24    6   21                                       
CONECT   18   21    7   44   45                                       
CONECT   19    7   46   47   48                                       
CONECT   20    7    4   26                                            
CONECT   21   17   18    5                                            
CONECT   22    6   49   50                                            
CONECT   23   26   26                                                 
CONECT   24   17   17                                                 
CONECT   25   26   26                                                 
CONECT   26   20   25   25   23                                       
CONECT   26   23    8                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
