COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       0.989   0.792  -1.545  1.00  0.00           S  
HETATM    2  C   UNL     1       2.383   0.564  -0.581  1.00  0.00           C  
HETATM    3  N   UNL     1       2.179  -0.373   0.283  1.00  0.00           N1+
HETATM    4  C   UNL     1       0.997  -0.955   0.269  1.00  0.00           C  
HETATM    5  C   UNL     1       0.157  -0.483  -0.658  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.252  -0.958  -0.901  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.221  -0.142  -0.042  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.557  -0.592  -0.273  1.00  0.00           O  
HETATM    9  P   UNL     1      -4.837   0.045   0.467  1.00  0.00           P  
HETATM   10  P   UNL     1      -7.730  -0.169  -0.143  1.00  0.00           P  
HETATM   11  N   UNL     1       4.596  -3.270  -1.151  1.00  0.00           N  
HETATM   12  C   UNL     1       3.665   1.344  -0.720  1.00  0.00           C  
HETATM   13  C   UNL     1       4.809   3.495  -0.166  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.860   1.508   0.240  1.00  0.00           O  
HETATM   15  O   UNL     1      -8.654  -1.458  -0.417  1.00  0.00           O  
HETATM   16  C   UNL     1       5.663  -3.690  -0.501  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.747  -0.252   2.046  1.00  0.00           O  
HETATM   18  O   UNL     1      -8.087   0.424   1.165  1.00  0.00           O  
HETATM   19  N   UNL     1       5.985  -3.216   0.686  1.00  0.00           N  
HETATM   20  O   UNL     1      -6.182  -0.611  -0.127  1.00  0.00           O  
HETATM   21  O   UNL     1      -7.966   0.918  -1.307  1.00  0.00           O  
HETATM   22  C   UNL     1       5.235  -2.289   1.273  1.00  0.00           C  
HETATM   23  N   UNL     1       5.577  -1.793   2.520  1.00  0.00           N  
HETATM   24  C   UNL     1       4.097  -1.822   0.611  1.00  0.00           C  
HETATM   25  C   UNL     1       3.799  -2.348  -0.630  1.00  0.00           C  
HETATM   26  C   UNL     1       3.216  -0.772   1.237  1.00  0.00           C  
HETATM   27  O   UNL     1       4.013   1.445  -2.103  1.00  0.00           O  
HETATM   28  O   UNL     1       5.664   5.718   0.484  1.00  0.00           O  
HETATM   29  O   UNL     1       3.533   5.225   0.798  1.00  0.00           O  
HETATM   30  C   UNL     1       3.475   2.746  -0.138  1.00  0.00           C  
HETATM   31  C   UNL     1       4.621   4.876   0.407  1.00  0.00           C  
HETATM   32  C   UNL     1       6.540  -4.740  -1.133  1.00  0.00           C  
HETATM   33  C   UNL     1       0.622  -2.062   1.221  1.00  0.00           C  
HETATM   34  H   UNL     1      -1.503  -0.828  -1.954  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.331  -2.012  -0.636  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.970  -0.272   1.011  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.142   0.912  -0.307  1.00  0.00           H  
HETATM   38  H   UNL     1       4.462   0.832  -0.182  1.00  0.00           H  
HETATM   39  H   UNL     1       5.543   2.951   0.428  1.00  0.00           H  
HETATM   40  H   UNL     1       5.160   3.573  -1.195  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.601  -1.266  -0.440  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.728  -1.192   2.270  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.752   0.597  -2.194  1.00  0.00           H  
HETATM   44  H   UNL     1       6.416  -2.053   2.933  1.00  0.00           H  
HETATM   45  H   UNL     1       4.978  -1.186   2.982  1.00  0.00           H  
HETATM   46  H   UNL     1       2.927  -2.011  -1.171  1.00  0.00           H  
HETATM   47  H   UNL     1       3.819   0.097   1.503  1.00  0.00           H  
HETATM   48  H   UNL     1       2.748  -1.177   2.134  1.00  0.00           H  
HETATM   49  H   UNL     1       3.347   1.891  -2.644  1.00  0.00           H  
HETATM   50  H   UNL     1       5.495   6.593   0.859  1.00  0.00           H  
HETATM   51  H   UNL     1       2.740   3.290  -0.733  1.00  0.00           H  
HETATM   52  H   UNL     1       3.124   2.668   0.891  1.00  0.00           H  
HETATM   53  H   UNL     1       7.312  -4.257  -1.732  1.00  0.00           H  
HETATM   54  H   UNL     1       7.008  -5.341  -0.353  1.00  0.00           H  
HETATM   55  H   UNL     1       5.934  -5.383  -1.772  1.00  0.00           H  
HETATM   56  H   UNL     1       0.189  -1.633   2.124  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.106  -2.719   0.745  1.00  0.00           H  
HETATM   58  H   UNL     1       1.513  -2.634   1.481  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1   12    3    3                                       
CONECT    3    2    2   26    4                                       
CONECT    4    3    5    5   33                                       
CONECT    5    1    4    4    6                                       
CONECT    6    5    7   34   35                                       
CONECT    7    6    8   36   37                                       
CONECT    8    7    9                                                 
CONECT    9    8   20   14   14                                       
CONECT    9   17                                                      
CONECT   10   18   18   21   20                                       
CONECT   10   15                                                      
CONECT   11   16   16   25                                            
CONECT   12    2   27   30   38                                       
CONECT   13   30   31   39   40                                       
CONECT   14    9    9                                                 
CONECT   15   10   41                                                 
CONECT   16   11   11   19   32                                       
CONECT   17    9   42                                                 
CONECT   18   10   10                                                 
CONECT   19   16   22   22                                            
CONECT   20    9   10                                                 
CONECT   21   10   43                                                 
CONECT   22   19   19   23   24                                       
CONECT   23   22   44   45                                            
CONECT   24   22   26   25   25                                       
CONECT   25   11   24   24   46                                       
CONECT   26    3   24   47   48                                       
CONECT   27   12   49                                                 
CONECT   28   31   50                                                 
CONECT   29   31   31                                                 
CONECT   30   12   13   51   52                                       
CONECT   31   13   28   29   29                                       
CONECT   32   16   53   54   55                                       
CONECT   33    4   56   57   58                                       
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
CONECT   55   32                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
