COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.668   0.422  -5.284  1.00  0.00           C  
HETATM    2  C   UNL     1       4.202   0.306  -5.175  1.00  0.00           C  
HETATM    3  C   UNL     1       0.877  -0.149  -3.628  1.00  0.00           C  
HETATM    4  O   UNL     1       0.889  -1.316  -3.295  1.00  0.00           O  
HETATM    5  N   UNL     1       3.248  -0.009  -2.996  1.00  0.00           N  
HETATM    6  C   UNL     1       4.507   0.413  -3.665  1.00  0.00           C  
HETATM    7  C   UNL     1       2.174   0.589  -3.830  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.296   0.484  -3.817  1.00  0.00           N  
HETATM    9  S   UNL     1      -1.722  -0.327  -3.594  1.00  0.00           S  
HETATM   10  O   UNL     1      -1.625  -1.502  -4.388  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.745   0.652  -3.697  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.752  -0.806  -2.150  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.367   0.230  -1.383  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.429  -0.189   0.086  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.098  -0.394   0.606  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.231  -0.292   2.041  1.00  0.00           C  
HETATM   17  N   UNL     1       0.065   0.006   2.653  1.00  0.00           N  
HETATM   18  C   UNL     1       0.457  -0.320   3.927  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.111  -0.946   4.952  1.00  0.00           N  
HETATM   20  C   UNL     1       0.540  -1.112   6.083  1.00  0.00           C  
HETATM   21  N   UNL     1       1.773  -0.673   6.261  1.00  0.00           N  
HETATM   22  C   UNL     1       2.423  -0.035   5.293  1.00  0.00           C  
HETATM   23  N   UNL     1       3.715   0.420   5.489  1.00  0.00           N  
HETATM   24  C   UNL     1       1.766   0.170   4.068  1.00  0.00           C  
HETATM   25  N   UNL     1       2.103   0.753   2.892  1.00  0.00           N  
HETATM   26  C   UNL     1       1.105   0.660   2.062  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.214   0.877   2.267  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.081   0.605   3.369  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.020   0.947   0.948  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.408   0.718   1.196  1.00  0.00           O  
HETATM   31  H   UNL     1       2.250  -0.482  -5.724  1.00  0.00           H  
HETATM   32  H   UNL     1       2.395   1.294  -5.878  1.00  0.00           H  
HETATM   33  H   UNL     1       4.538  -0.655  -5.562  1.00  0.00           H  
HETATM   34  H   UNL     1       4.683   1.121  -5.716  1.00  0.00           H  
HETATM   35  H   UNL     1       3.222   0.460  -2.104  1.00  0.00           H  
HETATM   36  H   UNL     1       5.324  -0.254  -3.394  1.00  0.00           H  
HETATM   37  H   UNL     1       4.750   1.441  -3.398  1.00  0.00           H  
HETATM   38  H   UNL     1       2.050   1.645  -3.590  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.306   1.417  -4.083  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.377   0.406  -1.754  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.782   1.145  -1.475  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.023  -1.096   0.195  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.639  -1.215   2.451  1.00  0.00           H  
HETATM   44  H   UNL     1       0.049  -1.625   6.896  1.00  0.00           H  
HETATM   45  H   UNL     1       4.156   0.275   6.340  1.00  0.00           H  
HETATM   46  H   UNL     1       4.180   0.881   4.773  1.00  0.00           H  
HETATM   47  H   UNL     1       1.101   1.045   1.053  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.669   1.806   2.431  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.708   1.340   3.420  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.874   1.911   0.461  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.721   1.457   1.736  1.00  0.00           H  
CONECT    1    2    7   31   32                                       
CONECT    2    1    6   33   34                                       
CONECT    3    4    4    7    8                                       
CONECT    4    3    3                                                 
CONECT    5    6    7   35                                            
CONECT    6    2    5   36   37                                       
CONECT    7    1    3    5   38                                       
CONECT    8    3    9   39                                            
CONECT    9    8   10   10   11                                       
CONECT    9   11   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   13                                                 
CONECT   13   12   14   40   41                                       
CONECT   14   13   15   29   42                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   27   43                                       
CONECT   17   16   18   26                                            
CONECT   18   17   19   19   24                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21   21   44                                       
CONECT   21   20   20   22                                            
CONECT   22   21   23   24   24                                       
CONECT   23   22   45   46                                            
CONECT   24   18   22   22   25                                       
CONECT   25   24   26   26                                            
CONECT   26   17   25   25   47                                       
CONECT   27   16   28   29   48                                       
CONECT   28   27   49                                                 
CONECT   29   14   27   30   50                                       
CONECT   30   29   51                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   20                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
