COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.216  -0.567  -0.013  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.055  -1.046   1.089  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.069  -1.483  -1.382  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.060  -2.676  -0.596  1.00  0.00           O  
HETATM    5  N   UNL     1      -4.522  -0.137   0.609  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.608  -0.303  -0.524  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.487  -1.219  -1.893  1.00  0.00           C  
HETATM    8  S   UNL     1      -4.880   1.380   1.169  1.00  0.00           S  
HETATM    9  O   UNL     1      -5.788   1.153   2.239  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.612   1.978   1.398  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.723   2.187  -0.220  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.023   3.643   0.142  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.734   4.324  -1.029  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.148  -0.265  -0.778  1.00  0.00           N  
HETATM   15  C   UNL     1       0.206  -0.423  -0.242  1.00  0.00           C  
HETATM   16  C   UNL     1       1.146   0.501  -0.972  1.00  0.00           C  
HETATM   17  O   UNL     1       0.727   1.221  -1.853  1.00  0.00           O  
HETATM   18  C   UNL     1       0.664  -1.871  -0.432  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.216  -2.798   0.409  1.00  0.00           C  
HETATM   20  S   UNL     1       0.327  -4.515   0.184  1.00  0.00           S  
HETATM   21  C   UNL     1      -0.816  -5.446   1.241  1.00  0.00           C  
HETATM   22  N   UNL     1       2.454   0.527  -0.646  1.00  0.00           N  
HETATM   23  C   UNL     1       3.368   1.425  -1.355  1.00  0.00           C  
HETATM   24  C   UNL     1       4.761   1.262  -0.803  1.00  0.00           C  
HETATM   25  C   UNL     1       5.617   0.327  -1.358  1.00  0.00           C  
HETATM   26  C   UNL     1       6.893   0.173  -0.858  1.00  0.00           C  
HETATM   27  C   UNL     1       7.320   0.962   0.210  1.00  0.00           C  
HETATM   28  C   UNL     1       8.689   0.802   0.752  1.00  0.00           C  
HETATM   29  N   UNL     1       9.497  -0.077   0.232  1.00  0.00           N  
HETATM   30  N   UNL     1       9.108   1.583   1.807  1.00  0.00           N  
HETATM   31  C   UNL     1       6.453   1.903   0.765  1.00  0.00           C  
HETATM   32  C   UNL     1       5.181   2.052   0.252  1.00  0.00           C  
HETATM   33  H   UNL     1      -3.394  -1.601  -2.230  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.195  -2.895  -0.223  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.916  -0.916   1.032  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.608   0.606  -1.126  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.150  -1.038  -1.047  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.482  -0.345  -2.544  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.839  -2.086  -2.451  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.082   2.157  -1.101  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.656   1.665  -0.432  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.665   3.673   1.023  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.090   4.165   0.354  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.093   4.293  -1.910  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.668   3.802  -1.241  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.948   5.361  -0.771  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.277   0.057  -1.684  1.00  0.00           H  
HETATM   48  H   UNL     1       0.207  -0.178   0.820  1.00  0.00           H  
HETATM   49  H   UNL     1       0.578  -2.144  -1.484  1.00  0.00           H  
HETATM   50  H   UNL     1       1.702  -1.968  -0.115  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.130  -2.525   1.461  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.254  -2.701   0.092  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.715  -5.106   2.272  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.839  -5.282   0.903  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.580  -6.508   1.184  1.00  0.00           H  
HETATM   56  H   UNL     1       2.789  -0.049   0.059  1.00  0.00           H  
HETATM   57  H   UNL     1       3.367   1.180  -2.417  1.00  0.00           H  
HETATM   58  H   UNL     1       3.042   2.457  -1.220  1.00  0.00           H  
HETATM   59  H   UNL     1       5.285  -0.283  -2.185  1.00  0.00           H  
HETATM   60  H   UNL     1       7.560  -0.557  -1.291  1.00  0.00           H  
HETATM   61  H   UNL     1      10.393  -0.182   0.587  1.00  0.00           H  
HETATM   62  H   UNL     1       8.507   2.238   2.194  1.00  0.00           H  
HETATM   63  H   UNL     1      10.005   1.479   2.162  1.00  0.00           H  
HETATM   64  H   UNL     1       6.778   2.517   1.592  1.00  0.00           H  
HETATM   65  H   UNL     1       4.509   2.780   0.681  1.00  0.00           H  
CONECT    1    2    2   14    6                                       
CONECT    2    1    1                                                 
CONECT    3    4    6    7   33                                       
CONECT    4    3   34                                                 
CONECT    5    6    8   35                                            
CONECT    6    1    3    5   36                                       
CONECT    7    3   37   38   39                                       
CONECT    8    5    9    9   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   40   41                                       
CONECT   12   11   13   42   43                                       
CONECT   13   12   44   45   46                                       
CONECT   14    1   15   47                                            
CONECT   15   14   18   16   48                                       
CONECT   16   15   17   17   22                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   49   50                                       
CONECT   19   18   20   51   52                                       
CONECT   20   19   21                                                 
CONECT   21   20   53   54   55                                       
CONECT   22   16   23   56                                            
CONECT   23   22   24   57   58                                       
CONECT   24   23   25   32   32                                       
CONECT   25   26   26   24   59                                       
CONECT   26   25   25   27   60                                       
CONECT   27   26   31   31   28                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28   61                                            
CONECT   30   28   62   63                                            
CONECT   31   27   27   32   64                                       
CONECT   32   31   24   24   65                                       
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
