COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.463  -0.090  -0.177  1.00  0.00           O  
HETATM    2  C   UNL     1       1.451   1.125  -0.145  1.00  0.00           C  
HETATM    3  N   UNL     1       2.606   1.807  -0.004  1.00  0.00           N  
HETATM    4  C   UNL     1       3.813   1.118   0.105  1.00  0.00           C  
HETATM    5  C   UNL     1       3.973  -0.234   0.084  1.00  0.00           C  
HETATM    6  C   UNL     1       5.337  -0.506   0.220  1.00  0.00           C  
HETATM    7  C   UNL     1       5.965  -1.875   0.247  1.00  0.00           C  
HETATM    8  C   UNL     1       5.150  -2.793   1.161  1.00  0.00           C  
HETATM    9  C   UNL     1       5.987  -2.454  -1.169  1.00  0.00           C  
HETATM   10  C   UNL     1       7.397  -1.769   0.777  1.00  0.00           C  
HETATM   11  N   UNL     1       5.976   0.632   0.320  1.00  0.00           N  
HETATM   12  N   UNL     1       5.040   1.671   0.245  1.00  0.00           N  
HETATM   13  C   UNL     1       5.336   3.105   0.310  1.00  0.00           C  
HETATM   14  N   UNL     1       0.285   1.791  -0.255  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.901   1.090  -0.512  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.092  -0.173   0.032  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.260  -0.865  -0.221  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.244  -0.296  -1.019  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.053   0.968  -1.563  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.887   1.661  -1.306  1.00  0.00           C  
HETATM   21  S   UNL     1      -4.735  -1.179  -1.343  1.00  0.00           S  
HETATM   22  C   UNL     1      -5.804  -0.637  -0.051  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.335   0.198   0.963  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.206   0.604   1.953  1.00  0.00           C  
HETATM   25  N   UNL     1      -7.466   0.212   1.948  1.00  0.00           N  
HETATM   26  C   UNL     1      -7.948  -0.578   1.006  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.143  -1.028  -0.019  1.00  0.00           C  
HETATM   28  H   UNL     1       2.596   2.776   0.023  1.00  0.00           H  
HETATM   29  H   UNL     1       3.186  -0.966  -0.019  1.00  0.00           H  
HETATM   30  H   UNL     1       4.130  -2.868   0.783  1.00  0.00           H  
HETATM   31  H   UNL     1       5.605  -3.783   1.180  1.00  0.00           H  
HETATM   32  H   UNL     1       5.135  -2.380   2.170  1.00  0.00           H  
HETATM   33  H   UNL     1       6.568  -1.801  -1.820  1.00  0.00           H  
HETATM   34  H   UNL     1       6.442  -3.445  -1.149  1.00  0.00           H  
HETATM   35  H   UNL     1       4.968  -2.530  -1.546  1.00  0.00           H  
HETATM   36  H   UNL     1       7.381  -1.357   1.786  1.00  0.00           H  
HETATM   37  H   UNL     1       7.851  -2.760   0.797  1.00  0.00           H  
HETATM   38  H   UNL     1       7.978  -1.116   0.126  1.00  0.00           H  
HETATM   39  H   UNL     1       5.304   3.436   1.347  1.00  0.00           H  
HETATM   40  H   UNL     1       6.329   3.289  -0.100  1.00  0.00           H  
HETATM   41  H   UNL     1       4.595   3.655  -0.271  1.00  0.00           H  
HETATM   42  H   UNL     1       0.266   2.756  -0.157  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.326  -0.615   0.653  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.408  -1.847   0.202  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.818   1.410  -2.184  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.738   2.643  -1.729  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.305   0.522   0.974  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.852   1.251   2.742  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.985  -0.876   1.039  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.545  -1.670  -0.789  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   14    1    1    3                                       
CONECT    3    2    4   28                                            
CONECT    4    3    5    5   12                                       
CONECT    5    4    4    6   29                                       
CONECT    6    5    7   11   11                                       
CONECT    7    6    8   10    9                                       
CONECT    8    7   30   31   32                                       
CONECT    9    7   33   34   35                                       
CONECT   10    7   36   37   38                                       
CONECT   11   12    6    6                                            
CONECT   12    4   13   11                                            
CONECT   13   12   39   40   41                                       
CONECT   14   15    2   42                                            
CONECT   15   20   20   16   14                                       
CONECT   16   17   17   15   43                                       
CONECT   17   18   16   16   44                                       
CONECT   18   21   19   19   17                                       
CONECT   19   18   18   20   45                                       
CONECT   20   19   15   15   46                                       
CONECT   21   22   18                                                 
CONECT   22   23   23   27   21                                       
CONECT   23   24   22   22   47                                       
CONECT   24   25   25   23   48                                       
CONECT   25   24   24   26                                            
CONECT   26   25   27   27   49                                       
CONECT   27   26   26   22   50                                       
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
