COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.070  -0.931   2.127  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.813  -0.966   1.169  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.973  -0.266   1.142  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.880  -0.379   0.006  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.853  -1.780  -0.562  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.867  -2.347  -0.908  1.00  0.00           O  
HETATM    7  N   UNL     1      -1.646  -2.360  -0.695  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.490  -1.797  -0.058  1.00  0.00           C  
HETATM    9  O   UNL     1       0.279  -2.905   0.416  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.299  -0.099   0.503  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.341  -0.229   1.925  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.707   1.322   0.109  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.690   2.318   0.670  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.743   1.430  -1.316  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.092   1.632   0.679  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.473   2.960   0.311  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.601   0.511  -1.020  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.592   0.148  -1.926  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.218   0.385  -1.286  1.00  0.00           C  
HETATM   20  C   UNL     1       0.444  -0.996  -0.964  1.00  0.00           C  
HETATM   21  C   UNL     1       1.780  -0.771  -0.251  1.00  0.00           C  
HETATM   22  S   UNL     1       2.937   0.050  -1.381  1.00  0.00           S  
HETATM   23  C   UNL     1       4.347   0.180  -0.333  1.00  0.00           C  
HETATM   24  C   UNL     1       5.512   0.763  -0.808  1.00  0.00           C  
HETATM   25  C   UNL     1       6.626   0.868   0.029  1.00  0.00           C  
HETATM   26  C   UNL     1       7.866   1.489  -0.464  1.00  0.00           C  
HETATM   27  O   UNL     1       8.832   1.575   0.263  1.00  0.00           O  
HETATM   28  C   UNL     1       6.560   0.375   1.337  1.00  0.00           C  
HETATM   29  C   UNL     1       5.397  -0.207   1.796  1.00  0.00           C  
HETATM   30  C   UNL     1       4.294  -0.306   0.969  1.00  0.00           C  
HETATM   31  H   UNL     1      -2.201   0.315   1.885  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.565  -3.178  -1.209  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.276  -3.380   1.049  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.989  -0.812   0.053  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.809   0.493   2.288  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.929   3.321   0.314  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.728   2.301   1.759  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.689   2.043   0.337  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.394   0.787  -1.628  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.817   0.923   0.279  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.065   1.550   1.765  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.349   3.114   0.689  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.678   0.747  -2.833  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.698  -0.907  -2.177  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.339   0.955  -0.364  1.00  0.00           H  
HETATM   46  H   UNL     1       0.416   0.940  -1.978  1.00  0.00           H  
HETATM   47  H   UNL     1       0.613  -1.544  -1.890  1.00  0.00           H  
HETATM   48  H   UNL     1       1.623  -0.145   0.626  1.00  0.00           H  
HETATM   49  H   UNL     1       2.193  -1.732   0.057  1.00  0.00           H  
HETATM   50  H   UNL     1       5.556   1.141  -1.819  1.00  0.00           H  
HETATM   51  H   UNL     1       7.915   1.869  -1.474  1.00  0.00           H  
HETATM   52  H   UNL     1       7.419   0.451   1.987  1.00  0.00           H  
HETATM   53  H   UNL     1       5.347  -0.586   2.806  1.00  0.00           H  
HETATM   54  H   UNL     1       3.386  -0.763   1.335  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4   31                                            
CONECT    4    3    5   10   17                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   32                                            
CONECT    8    2    7    9   20                                       
CONECT    9    8   33                                                 
CONECT   10    4   11   12   34                                       
CONECT   11   10   35                                                 
CONECT   12   10   13   14   15                                       
CONECT   13   12   36   37   38                                       
CONECT   14   12   39                                                 
CONECT   15   12   16   40   41                                       
CONECT   16   15   42                                                 
CONECT   17    4   18                                                 
CONECT   18   17   19   43   44                                       
CONECT   19   18   20   45   46                                       
CONECT   20    8   19   21   47                                       
CONECT   21   20   22   48   49                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   24   30                                       
CONECT   24   23   23   25   50                                       
CONECT   25   24   26   28   28                                       
CONECT   26   25   27   27   51                                       
CONECT   27   26   26                                                 
CONECT   28   25   25   29   52                                       
CONECT   29   28   30   30   53                                       
CONECT   30   23   29   29   54                                       
CONECT   31    3                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
