COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.239   0.640  -2.942  1.00  0.00           O  
HETATM    2  S   UNL     1      -1.151   1.137  -1.614  1.00  0.00           S  
HETATM    3  O   UNL     1      -1.403   2.493  -1.274  1.00  0.00           O  
HETATM    4  N   UNL     1      -2.191   0.225  -0.704  1.00  0.00           N  
HETATM    5  O   UNL     1      -2.429  -1.129  -1.044  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.517  -2.049  -0.440  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.249  -2.868   0.624  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.956  -2.987  -1.510  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.866   0.819   0.453  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.855   1.023   1.583  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.814  -0.098   1.546  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.157   2.373   1.406  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.964  -0.101   0.922  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.204  -1.115   0.311  1.00  0.00           O  
HETATM   15  N   UNL     1      -4.679   0.209   2.021  1.00  0.00           N  
HETATM   16  O   UNL     1      -5.566  -0.535   2.400  1.00  0.00           O  
HETATM   17  C   UNL     1       0.481   0.779  -1.056  1.00  0.00           C  
HETATM   18  C   UNL     1       1.162   1.700  -0.280  1.00  0.00           C  
HETATM   19  C   UNL     1       2.441   1.425   0.160  1.00  0.00           C  
HETATM   20  C   UNL     1       3.046   0.216  -0.178  1.00  0.00           C  
HETATM   21  C   UNL     1       2.356  -0.708  -0.960  1.00  0.00           C  
HETATM   22  C   UNL     1       1.076  -0.425  -1.390  1.00  0.00           C  
HETATM   23  C   UNL     1       4.421  -0.085   0.292  1.00  0.00           C  
HETATM   24  C   UNL     1       5.027  -1.293  -0.046  1.00  0.00           C  
HETATM   25  C   UNL     1       6.306  -1.568   0.393  1.00  0.00           C  
HETATM   26  C   UNL     1       6.986  -0.647   1.169  1.00  0.00           C  
HETATM   27  C   UNL     1       6.390   0.554   1.508  1.00  0.00           C  
HETATM   28  C   UNL     1       5.114   0.842   1.068  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.700  -1.497   0.024  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.524  -3.433   1.210  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.804  -2.198   1.281  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.941  -3.557   0.140  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.435  -2.403  -2.269  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.261  -3.689  -1.050  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.774  -3.538  -1.975  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.293   1.781   0.170  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.373   1.006   2.542  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.297  -0.081   0.587  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.094   0.048   2.350  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.312  -1.060   1.673  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.880   3.177   1.544  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.360   2.470   2.143  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.734   2.434   0.403  1.00  0.00           H  
HETATM   44  H   UNL     1       0.692   2.637  -0.019  1.00  0.00           H  
HETATM   45  H   UNL     1       2.971   2.145   0.765  1.00  0.00           H  
HETATM   46  H   UNL     1       2.821  -1.646  -1.225  1.00  0.00           H  
HETATM   47  H   UNL     1       0.538  -1.143  -1.991  1.00  0.00           H  
HETATM   48  H   UNL     1       4.496  -2.014  -0.651  1.00  0.00           H  
HETATM   49  H   UNL     1       6.776  -2.505   0.132  1.00  0.00           H  
HETATM   50  H   UNL     1       7.987  -0.867   1.511  1.00  0.00           H  
HETATM   51  H   UNL     1       6.925   1.270   2.114  1.00  0.00           H  
HETATM   52  H   UNL     1       4.651   1.783   1.329  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    3    4    1                                       
CONECT    2    1   17                                                 
CONECT    3    2    2                                                 
CONECT    4    9    2    5                                            
CONECT    5    4    6                                                 
CONECT    6    5    8    7   29                                       
CONECT    7    6   30   31   32                                       
CONECT    8    6   33   34   35                                       
CONECT    9   10   13    4   36                                       
CONECT   10   11   12    9   37                                       
CONECT   11   10   38   39   40                                       
CONECT   12   10   41   42   43                                       
CONECT   13   15    9   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   16   16   13                                            
CONECT   16   15   15                                                 
CONECT   17    2   18   18   22                                       
CONECT   18   17   17   19   44                                       
CONECT   19   18   20   20   45                                       
CONECT   20   19   19   21   23                                       
CONECT   21   22   22   20   46                                       
CONECT   22   17   21   21   47                                       
CONECT   23   20   28   28   24                                       
CONECT   24   23   25   25   48                                       
CONECT   25   24   24   26   49                                       
CONECT   26   27   27   25   50                                       
CONECT   27   28   26   26   51                                       
CONECT   28   23   23   27   52                                       
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
