COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.264  -2.416   0.614  1.00  0.00           O  
HETATM    2  C   UNL     1       0.969  -1.427   0.551  1.00  0.00           C  
HETATM    3  C   UNL     1       2.392  -1.564   0.208  1.00  0.00           C  
HETATM    4  C   UNL     1       3.190  -0.399   0.142  1.00  0.00           C  
HETATM    5  C   UNL     1       2.602   0.860   0.406  1.00  0.00           C  
HETATM    6  C   UNL     1       3.389   2.007   0.340  1.00  0.00           C  
HETATM    7  C   UNL     1       4.731   1.916   0.019  1.00  0.00           C  
HETATM    8  C   UNL     1       5.329   0.692  -0.244  1.00  0.00           C  
HETATM    9  N   UNL     1       6.673   0.629  -0.561  1.00  0.00           N  
HETATM   10  C   UNL     1       6.963   1.405  -1.775  1.00  0.00           C  
HETATM   11  C   UNL     1       7.501   1.083   0.564  1.00  0.00           C  
HETATM   12  C   UNL     1       4.557  -0.493  -0.184  1.00  0.00           C  
HETATM   13  C   UNL     1       5.112  -1.755  -0.438  1.00  0.00           C  
HETATM   14  C   UNL     1       4.321  -2.881  -0.369  1.00  0.00           C  
HETATM   15  C   UNL     1       2.973  -2.798  -0.051  1.00  0.00           C  
HETATM   16  C   UNL     1       1.176   0.916   0.741  1.00  0.00           C  
HETATM   17  O   UNL     1       0.651   1.989   0.971  1.00  0.00           O  
HETATM   18  N   UNL     1       0.442  -0.211   0.791  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.980  -0.113   1.130  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.798   0.069  -0.150  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.223   0.167   0.189  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.041   0.343  -1.019  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.494   0.439  -0.632  1.00  0.00           C  
HETATM   24  S   UNL     1      -6.579  -0.877  -0.486  1.00  0.00           S  
HETATM   25  N   UNL     1      -6.129   1.531  -0.348  1.00  0.00           N  
HETATM   26  N   UNL     1      -7.350   1.410  -0.045  1.00  0.00           N  
HETATM   27  C   UNL     1      -7.830   0.208  -0.049  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.250  -0.174   0.280  1.00  0.00           C  
HETATM   29  H   UNL     1       2.949   2.972   0.539  1.00  0.00           H  
HETATM   30  H   UNL     1       5.326   2.816  -0.027  1.00  0.00           H  
HETATM   31  H   UNL     1       6.690   2.447  -1.614  1.00  0.00           H  
HETATM   32  H   UNL     1       8.027   1.339  -2.002  1.00  0.00           H  
HETATM   33  H   UNL     1       6.388   1.003  -2.609  1.00  0.00           H  
HETATM   34  H   UNL     1       7.317   0.447   1.430  1.00  0.00           H  
HETATM   35  H   UNL     1       8.554   1.024   0.287  1.00  0.00           H  
HETATM   36  H   UNL     1       7.247   2.114   0.810  1.00  0.00           H  
HETATM   37  H   UNL     1       6.159  -1.844  -0.690  1.00  0.00           H  
HETATM   38  H   UNL     1       4.760  -3.848  -0.568  1.00  0.00           H  
HETATM   39  H   UNL     1       2.375  -3.696  -0.003  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.296  -1.025   1.636  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.481   0.980  -0.657  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.388   0.913   0.849  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.740   1.256  -1.531  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.898  -0.510  -1.682  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.335  -0.369   1.349  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.918   0.641   0.005  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.523  -1.071  -0.276  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.139   0.741   1.787  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.639  -0.786  -0.808  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   18    1    1    3                                       
CONECT    3    2    4    4   15                                       
CONECT    4    5    3    3   12                                       
CONECT    5   16    6    6    4                                       
CONECT    6    5    5    7   29                                       
CONECT    7    6    8    8   30                                       
CONECT    8    7    7   12    9                                       
CONECT    9    8   11   10                                            
CONECT   10    9   31   32   33                                       
CONECT   11    9   34   35   36                                       
CONECT   12    4    8   13   13                                       
CONECT   13   12   12   14   37                                       
CONECT   14   15   15   13   38                                       
CONECT   15    3   14   14   39                                       
CONECT   16   17   17   18    5                                       
CONECT   17   16   16                                                 
CONECT   18   19   16    2                                            
CONECT   19   20   18   40   48                                       
CONECT   20   21   19   41   49                                       
CONECT   21   22   20   42                                            
CONECT   22   23   21   43   44                                       
CONECT   23   24   22   25   25                                       
CONECT   24   27   23                                                 
CONECT   25   23   23   26                                            
CONECT   26   27   27   25                                            
CONECT   27   28   24   26   26                                       
CONECT   28   27   45   46   47                                       
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
