COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.485  -1.010  -0.021  1.00  0.00           C  
HETATM    2  C   UNL     1       5.959  -1.436   1.206  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.831   0.009  -0.331  1.00  0.00           N  
HETATM    4  C   UNL     1       6.165  -0.520   2.226  1.00  0.00           C  
HETATM    5  O   UNL     1       6.632  -0.937   3.432  1.00  0.00           O  
HETATM    6  O   UNL     1       6.092   1.730   3.009  1.00  0.00           O  
HETATM    7  O   UNL     1       4.953   2.243  -1.909  1.00  0.00           O  
HETATM    8  S   UNL     1       4.615   0.867  -1.801  1.00  0.00           S  
HETATM    9  O   UNL     1       5.029  -0.111  -2.745  1.00  0.00           O  
HETATM   10  C   UNL     1       5.214   0.329  -0.233  1.00  0.00           C  
HETATM   11  C   UNL     1       5.411   1.247   0.781  1.00  0.00           C  
HETATM   12  C   UNL     1       5.892   0.828   2.011  1.00  0.00           C  
HETATM   13  C   UNL     1       2.856   0.789  -1.742  1.00  0.00           C  
HETATM   14  C   UNL     1       2.203  -0.371  -2.114  1.00  0.00           C  
HETATM   15  C   UNL     1       0.822  -0.431  -2.069  1.00  0.00           C  
HETATM   16  C   UNL     1       0.096   0.668  -1.651  1.00  0.00           C  
HETATM   17  C   UNL     1       0.749   1.827  -1.278  1.00  0.00           C  
HETATM   18  C   UNL     1       2.130   1.886  -1.319  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.409   0.602  -1.602  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.846  -1.382  -0.179  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.659  -2.161  -0.992  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.672  -3.538  -0.840  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.467  -4.302  -1.635  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.870  -4.137   0.127  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.882  -5.490   0.277  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.060  -3.358   0.936  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.043  -1.984   0.781  1.00  0.00           C  
HETATM   28  S   UNL     1      -2.290   0.984   0.926  1.00  0.00           S  
HETATM   29  O   UNL     1      -1.995   0.269   2.118  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.767   2.275   0.644  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.045   1.133   0.857  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.625   2.083   0.036  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.004   2.201  -0.020  1.00  0.00           C  
HETATM   34  O   UNL     1      -6.576   3.135  -0.826  1.00  0.00           O  
HETATM   35  C   UNL     1      -6.803   1.361   0.751  1.00  0.00           C  
HETATM   36  O   UNL     1      -8.157   1.473   0.699  1.00  0.00           O  
HETATM   37  C   UNL     1      -6.215   0.411   1.571  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.838   0.295   1.618  1.00  0.00           C  
HETATM   39  H   UNL     1       5.329  -1.724  -0.816  1.00  0.00           H  
HETATM   40  H   UNL     1       6.170  -2.482   1.370  1.00  0.00           H  
HETATM   41  H   UNL     1       7.596  -0.934   3.503  1.00  0.00           H  
HETATM   42  H   UNL     1       6.979   2.115   3.019  1.00  0.00           H  
HETATM   43  H   UNL     1       5.199   2.293   0.612  1.00  0.00           H  
HETATM   44  H   UNL     1       2.771  -1.229  -2.441  1.00  0.00           H  
HETATM   45  H   UNL     1       0.312  -1.338  -2.360  1.00  0.00           H  
HETATM   46  H   UNL     1       0.181   2.686  -0.952  1.00  0.00           H  
HETATM   47  H   UNL     1       2.640   2.791  -1.024  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.773  -0.010  -2.427  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.820   1.608  -1.688  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.280  -1.694  -1.741  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.041  -4.595  -2.453  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.230  -5.952  -0.267  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.438  -3.824   1.686  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.408  -1.378   1.410  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.002   2.734  -0.560  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.764   2.819  -1.720  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.572   0.920   0.023  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.833  -0.241   2.170  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.381  -0.448   2.254  1.00  0.00           H  
CONECT    1    2    2   10   39                                       
CONECT    2    4    1    1   40                                       
CONECT    3   19   28   20                                            
CONECT    4    5    2   12   12                                       
CONECT    5    4   41                                                 
CONECT    6   12   42                                                 
CONECT    7    8    8                                                 
CONECT    8   10   13    9    9                                       
CONECT    8    7    7                                                 
CONECT    9    8    8                                                 
CONECT   10   11   11    1    8                                       
CONECT   11   12   10   10   43                                       
CONECT   12    4    4    6   11                                       
CONECT   13    8   18   18   14                                       
CONECT   14   15   15   13   44                                       
CONECT   15   16   14   14   45                                       
CONECT   16   17   17   19   15                                       
CONECT   17   18   16   16   46                                       
CONECT   18   13   13   17   47                                       
CONECT   19   16    3   48   49                                       
CONECT   20    3   27   27   21                                       
CONECT   21   22   22   20   50                                       
CONECT   22   24   23   21   21                                       
CONECT   23   22   51                                                 
CONECT   24   26   26   25   22                                       
CONECT   25   24   52                                                 
CONECT   26   27   24   24   53                                       
CONECT   27   20   20   26   54                                       
CONECT   28    3   31   29   29                                       
CONECT   28   30   30                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28   38   38   32                                       
CONECT   32   33   33   31   55                                       
CONECT   33   35   34   32   32                                       
CONECT   34   33   56                                                 
CONECT   35   37   37   36   33                                       
CONECT   36   35   57                                                 
CONECT   37   38   35   35   58                                       
CONECT   38   31   31   37   59                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43   11                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   32                                                      
CONECT   56   34                                                      
CONECT   57   36                                                      
CONECT   58   37                                                      
CONECT   59   38                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
