COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.709  -0.096   0.337  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.148   0.945  -0.379  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.776   1.107  -0.405  1.00  0.00           C  
HETATM    4  C   UNL     1       2.023   3.117  -0.074  1.00  0.00           C  
HETATM    5  C   UNL     1       1.841   5.492  -0.236  1.00  0.00           C  
HETATM    6  C   UNL     1       4.015   4.487  -0.350  1.00  0.00           C  
HETATM    7  C   UNL     1       3.662   0.910  -0.050  1.00  0.00           C  
HETATM    8  C   UNL     1       4.567  -0.264  -0.039  1.00  0.00           C  
HETATM    9  C   UNL     1       4.043  -1.549   0.096  1.00  0.00           C  
HETATM   10  C   UNL     1       6.259  -2.457  -0.018  1.00  0.00           C  
HETATM   11  C   UNL     1       6.483  -4.818   0.141  1.00  0.00           C  
HETATM   12  C   UNL     1       6.783  -1.179  -0.159  1.00  0.00           C  
HETATM   13  C   UNL     1       7.567  -5.898   0.131  1.00  0.00           C  
HETATM   14  O   UNL     1       7.089  -3.533  -0.007  1.00  0.00           O  
HETATM   15  C   UNL     1       5.944  -0.085  -0.170  1.00  0.00           C  
HETATM   16  C   UNL     1       4.888  -2.639   0.106  1.00  0.00           C  
HETATM   17  C   UNL     1       2.281   0.701   0.090  1.00  0.00           C  
HETATM   18  N   UNL     1       4.182   2.112  -0.185  1.00  0.00           N  
HETATM   19  C   UNL     1       3.432   3.215  -0.204  1.00  0.00           C  
HETATM   20  C   UNL     1       3.224   5.595  -0.364  1.00  0.00           C  
HETATM   21  C   UNL     1       1.241   4.276  -0.094  1.00  0.00           C  
HETATM   22  C   UNL     1       1.423   1.792   0.083  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.038   1.622   0.228  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.758   2.597   0.314  1.00  0.00           O  
HETATM   25  N   UNL     1      -0.572   0.385   0.266  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.961   0.223   0.289  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.528  -0.821   1.008  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.900  -0.978   1.030  1.00  0.00           C  
HETATM   29  S   UNL     1      -6.459  -0.295   0.374  1.00  0.00           S  
HETATM   30  O   UNL     1      -6.756  -1.026   1.556  1.00  0.00           O  
HETATM   31  O   UNL     1      -7.014   0.982   0.090  1.00  0.00           O  
HETATM   32  N   UNL     1      -6.868  -1.275  -0.897  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.449  -2.556  -0.922  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.774  -2.991  -0.014  1.00  0.00           O  
HETATM   35  C   UNL     1      -6.821  -3.447  -2.079  1.00  0.00           C  
HETATM   36  H   UNL     1      -4.782   1.632  -0.920  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.339   1.920  -0.966  1.00  0.00           H  
HETATM   38  H   UNL     1       1.237   6.387  -0.250  1.00  0.00           H  
HETATM   39  H   UNL     1       5.086   4.584  -0.449  1.00  0.00           H  
HETATM   40  H   UNL     1       2.977  -1.691   0.193  1.00  0.00           H  
HETATM   41  H   UNL     1       5.790  -4.991  -0.682  1.00  0.00           H  
HETATM   42  H   UNL     1       5.940  -4.857   1.086  1.00  0.00           H  
HETATM   43  H   UNL     1       7.850  -1.041  -0.260  1.00  0.00           H  
HETATM   44  H   UNL     1       8.109  -5.859  -0.814  1.00  0.00           H  
HETATM   45  H   UNL     1       8.259  -5.725   0.955  1.00  0.00           H  
HETATM   46  H   UNL     1       7.104  -6.878   0.244  1.00  0.00           H  
HETATM   47  H   UNL     1       6.353   0.908  -0.279  1.00  0.00           H  
HETATM   48  H   UNL     1       4.483  -3.634   0.211  1.00  0.00           H  
HETATM   49  H   UNL     1       1.890  -0.299   0.203  1.00  0.00           H  
HETATM   50  H   UNL     1       3.677   6.569  -0.476  1.00  0.00           H  
HETATM   51  H   UNL     1       0.167   4.208   0.004  1.00  0.00           H  
HETATM   52  H   UNL     1       0.007  -0.394   0.276  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.897  -1.511   1.549  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.341  -1.789   1.589  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.409  -0.927  -1.624  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.426  -2.885  -2.791  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.915  -3.801  -2.571  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.392  -4.300  -1.712  1.00  0.00           H  
CONECT    1   29    2    2   28                                       
CONECT    2    1    1    3   36                                       
CONECT    3    2   26   26   37                                       
CONECT    4   22   21   21   19                                       
CONECT    5   21   20   20   38                                       
CONECT    6   19   19   20   39                                       
CONECT    7   17    8   18   18                                       
CONECT    8    9    7   15   15                                       
CONECT    9   16   16    8   40                                       
CONECT   10   16   14   12   12                                       
CONECT   11   14   13   41   42                                       
CONECT   12   10   10   15   43                                       
CONECT   13   11   44   45   46                                       
CONECT   14   10   11                                                 
CONECT   15    8    8   12   47                                       
CONECT   16    9    9   10   48                                       
CONECT   17   22   22    7   49                                       
CONECT   18    7    7   19                                            
CONECT   19    4   18    6    6                                       
CONECT   20    5    5    6   50                                       
CONECT   21    4    4    5   51                                       
CONECT   22   23   17   17    4                                       
CONECT   23   25   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   52                                            
CONECT   26    3    3   27   25                                       
CONECT   27   28   28   26   53                                       
CONECT   28    1   27   27   54                                       
CONECT   29   30   30   32   31                                       
CONECT   29   31    1                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   33   29   55                                            
CONECT   33   34   34   35   32                                       
CONECT   34   33   33                                                 
CONECT   35   33   56   57   58                                       
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   32                                                      
CONECT   56   35                                                      
CONECT   57   35                                                      
CONECT   58   35                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
