COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.814   3.357  -0.158  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.820   3.208   0.513  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.187   2.327  -1.193  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.189   1.255  -1.195  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.245   0.137  -0.408  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.356  -0.132   0.573  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.412  -1.023  -0.083  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.598  -1.195   0.868  1.00  0.00           C  
HETATM    9  S   UNL     1      -5.850  -2.252   0.089  1.00  0.00           S  
HETATM   10  C   UNL     1      -7.154  -2.336   1.347  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.811  -0.810   1.757  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.090   1.230  -1.980  1.00  0.00           C  
HETATM   13  O   UNL     1       0.259   2.061  -2.790  1.00  0.00           O  
HETATM   14  C   UNL     1       0.615  -0.064  -1.620  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.252  -0.660  -0.592  1.00  0.00           N  
HETATM   16  C   UNL     1       2.008   0.221  -1.055  1.00  0.00           C  
HETATM   17  C   UNL     1       2.685  -1.079  -0.707  1.00  0.00           C  
HETATM   18  C   UNL     1       2.110  -1.930   0.219  1.00  0.00           C  
HETATM   19  C   UNL     1       3.876  -1.422  -1.318  1.00  0.00           C  
HETATM   20  C   UNL     1       4.499  -2.614  -1.001  1.00  0.00           C  
HETATM   21  C   UNL     1       3.927  -3.467  -0.068  1.00  0.00           C  
HETATM   22  C   UNL     1       2.729  -3.123   0.540  1.00  0.00           C  
HETATM   23  O   UNL     1       4.537  -4.640   0.245  1.00  0.00           O  
HETATM   24  S   UNL     1       1.857   1.243   0.437  1.00  0.00           S  
HETATM   25  C   UNL     1       3.584   1.598   0.864  1.00  0.00           C  
HETATM   26  C   UNL     1       3.629   2.466   2.124  1.00  0.00           C  
HETATM   27  O   UNL     1       4.989   2.746   2.460  1.00  0.00           O  
HETATM   28  H   UNL     1      -3.166   1.912  -0.956  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.219   2.796  -2.176  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.753  -0.561  -1.010  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.978  -1.999  -0.303  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.257  -1.657   1.794  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.032  -0.219   1.087  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.523  -1.331   1.554  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.972  -2.956   0.982  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.749  -2.770   2.261  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.323  -1.654   1.497  1.00  0.00           H  
HETATM   38  H   UNL     1       2.601   0.752  -1.800  1.00  0.00           H  
HETATM   39  H   UNL     1       1.177  -1.662   0.693  1.00  0.00           H  
HETATM   40  H   UNL     1       4.321  -0.758  -2.045  1.00  0.00           H  
HETATM   41  H   UNL     1       5.429  -2.882  -1.480  1.00  0.00           H  
HETATM   42  H   UNL     1       2.280  -3.787   1.264  1.00  0.00           H  
HETATM   43  H   UNL     1       5.162  -4.575   0.980  1.00  0.00           H  
HETATM   44  H   UNL     1       4.112   0.662   1.049  1.00  0.00           H  
HETATM   45  H   UNL     1       4.061   2.128   0.040  1.00  0.00           H  
HETATM   46  H   UNL     1       3.101   3.401   1.939  1.00  0.00           H  
HETATM   47  H   UNL     1       3.152   1.936   2.948  1.00  0.00           H  
HETATM   48  H   UNL     1       5.094   3.293   3.251  1.00  0.00           H  
HETATM   49  O   UNL     1      -2.590   4.438   0.023  1.00  0.00           O  
HETATM   50  H   UNL     1      -2.813   0.811   0.873  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.210  -0.192   2.283  1.00  0.00           H  
HETATM   52  H   UNL     1       0.680  -0.719  -2.489  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.312   5.069   0.702  1.00  0.00           H  
CONECT    1    3    2    2   49                                       
CONECT    2    1    1                                                 
CONECT    3    4    1   28   29                                       
CONECT    4   12    3    5                                            
CONECT    5    4   15   15    6                                       
CONECT    6    5   11    7   50                                       
CONECT    7    6    8   30   31                                       
CONECT    8    7    9   32   33                                       
CONECT    9    8   10                                                 
CONECT   10    9   34   35   36                                       
CONECT   11    6   37   51                                            
CONECT   12   13   13   14    4                                       
CONECT   13   12   12                                                 
CONECT   14   16   12   15   52                                       
CONECT   15   14    5    5                                            
CONECT   16   17   24   14   38                                       
CONECT   17   18   16   19   19                                       
CONECT   18   22   22   17   39                                       
CONECT   19   17   17   20   40                                       
CONECT   20   21   21   19   41                                       
CONECT   21   22   23   20   20                                       
CONECT   22   18   18   21   42                                       
CONECT   23   21   43                                                 
CONECT   24   25   16                                                 
CONECT   25   26   24   44   45                                       
CONECT   26   25   27   46   47                                       
CONECT   27   26   48                                                 
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49    1   53                                                 
CONECT   50    6                                                      
CONECT   51   11                                                      
CONECT   52   14                                                      
CONECT   53   49                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
