COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.835   1.301  -2.570  1.00  0.00           C  
HETATM    2  O   UNL     1       1.165   1.961  -1.347  1.00  0.00           O  
HETATM    3  C   UNL     1       1.819   1.228  -0.407  1.00  0.00           C  
HETATM    4  C   UNL     1       1.102   0.443   0.500  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.389   0.402   0.424  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.036   1.611   0.348  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.336   1.949   0.299  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.431   1.137   0.343  1.00  0.00           C  
HETATM    9  S   UNL     1      -5.013   1.908   0.265  1.00  0.00           S  
HETATM   10  C   UNL     1      -4.511   3.643   0.145  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.402  -0.253   0.445  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.491  -0.802   0.538  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.318  -1.081   0.454  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.992  -0.855   0.429  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.101  -2.080   0.397  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.885  -3.227  -0.069  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.032  -3.452  -1.390  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.515  -2.704  -2.193  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.838  -4.631  -1.869  1.00  0.00           C  
HETATM   20  C   UNL     1       0.471  -2.396   1.764  1.00  0.00           C  
HETATM   21  C   UNL     1       0.987  -1.133   2.448  1.00  0.00           C  
HETATM   22  C   UNL     1       1.771  -0.306   1.462  1.00  0.00           C  
HETATM   23  C   UNL     1       3.149  -0.282   1.519  1.00  0.00           C  
HETATM   24  C   UNL     1       3.868   0.497   0.620  1.00  0.00           C  
HETATM   25  O   UNL     1       5.226   0.514   0.677  1.00  0.00           O  
HETATM   26  C   UNL     1       5.843  -0.280   1.692  1.00  0.00           C  
HETATM   27  C   UNL     1       3.207   1.248  -0.345  1.00  0.00           C  
HETATM   28  O   UNL     1       3.917   2.012  -1.219  1.00  0.00           O  
HETATM   29  C   UNL     1       4.428   1.360  -2.383  1.00  0.00           C  
HETATM   30  H   UNL     1       1.751   1.038  -3.100  1.00  0.00           H  
HETATM   31  H   UNL     1       0.268   0.396  -2.354  1.00  0.00           H  
HETATM   32  H   UNL     1       0.235   1.966  -3.191  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.368   2.458   0.323  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.541   3.006   0.213  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.929   3.915   1.025  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.905   3.785  -0.750  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.398   4.275   0.086  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.576  -2.129   0.488  1.00  0.00           H  
HETATM   39  H   UNL     1       0.719  -1.905  -0.299  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.298  -3.825   0.573  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.861  -4.546  -1.501  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.844  -4.649  -2.958  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.392  -5.552  -1.493  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.306  -2.846   2.382  1.00  0.00           H  
HETATM   45  H   UNL     1       1.294  -3.103   1.652  1.00  0.00           H  
HETATM   46  H   UNL     1       0.143  -0.552   2.819  1.00  0.00           H  
HETATM   47  H   UNL     1       1.631  -1.410   3.282  1.00  0.00           H  
HETATM   48  H   UNL     1       3.669  -0.869   2.261  1.00  0.00           H  
HETATM   49  H   UNL     1       5.505   0.056   2.672  1.00  0.00           H  
HETATM   50  H   UNL     1       5.570  -1.326   1.552  1.00  0.00           H  
HETATM   51  H   UNL     1       6.926  -0.176   1.627  1.00  0.00           H  
HETATM   52  H   UNL     1       5.178   0.625  -2.089  1.00  0.00           H  
HETATM   53  H   UNL     1       3.614   0.858  -2.906  1.00  0.00           H  
HETATM   54  H   UNL     1       4.883   2.098  -3.043  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    3    1                                                 
CONECT    3   27    2    4    4                                       
CONECT    4    3    3   22    5                                       
CONECT    5    4    6    6   14                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6    8    8   34                                       
CONECT    8    7    7   11    9                                       
CONECT    9    8   10                                                 
CONECT   10    9   35   36   37                                       
CONECT   11    8   13   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   14   14   11   38                                       
CONECT   14    5   15   13   13                                       
CONECT   15   20   14   16   39                                       
CONECT   16   15   17   40                                            
CONECT   17   18   18   16   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   41   42   43                                       
CONECT   20   21   15   44   45                                       
CONECT   21   22   20   46   47                                       
CONECT   22   23   23    4   21                                       
CONECT   23   24   22   22   48                                       
CONECT   24   25   27   27   23                                       
CONECT   25   26   24                                                 
CONECT   26   25   49   50   51                                       
CONECT   27   28   24   24    3                                       
CONECT   28   29   27                                                 
CONECT   29   28   52   53   54                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
