COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.229   2.932   0.894  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.636   1.599   0.516  1.00  0.00           C  
HETATM    3  O   UNL     1      -8.348   0.621   0.433  1.00  0.00           O  
HETATM    4  N   UNL     1      -6.315   1.495   0.270  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.739   0.199  -0.097  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.887  -0.017  -1.604  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.278   0.176   0.273  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.769   1.146   0.792  1.00  0.00           O  
HETATM    9  N   UNL     1      -3.538  -0.923   0.026  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.027  -2.167  -0.596  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.053  -3.266  -0.105  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.399  -3.707   1.209  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.701  -2.504  -0.099  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.108  -1.078   0.329  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.301  -0.063  -0.440  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.860   0.730  -1.168  1.00  0.00           O  
HETATM   17  N   UNL     1       0.041  -0.037  -0.318  1.00  0.00           N  
HETATM   18  C   UNL     1       0.825   0.950  -1.065  1.00  0.00           C  
HETATM   19  C   UNL     1       2.288   0.768  -0.755  1.00  0.00           C  
HETATM   20  C   UNL     1       3.055  -0.086  -1.527  1.00  0.00           C  
HETATM   21  C   UNL     1       4.395  -0.257  -1.249  1.00  0.00           C  
HETATM   22  C   UNL     1       2.860   1.460   0.298  1.00  0.00           C  
HETATM   23  C   UNL     1       4.200   1.298   0.587  1.00  0.00           C  
HETATM   24  C   UNL     1       4.977   0.434  -0.185  1.00  0.00           C  
HETATM   25  C   UNL     1       6.413   0.255   0.120  1.00  0.00           C  
HETATM   26  S   UNL     1       7.736   0.315  -1.043  1.00  0.00           S  
HETATM   27  C   UNL     1       8.862   0.018   0.209  1.00  0.00           C  
HETATM   28  N   UNL     1       8.254  -0.102   1.342  1.00  0.00           N  
HETATM   29  C   UNL     1       6.945   0.023   1.339  1.00  0.00           C  
HETATM   30  C   UNL     1       6.110  -0.093   2.588  1.00  0.00           C  
HETATM   31  H   UNL     1      -9.302   2.821   1.052  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.762   3.291   1.811  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.053   3.649   0.091  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.746   2.277   0.337  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.261  -0.596   0.437  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.365   0.777  -2.138  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.458  -0.981  -1.878  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.944   0.000  -1.872  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.042  -2.384  -0.264  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.993  -2.086  -1.683  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.026  -4.104  -0.802  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.279  -4.102   1.273  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.010  -2.941   0.623  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.264  -2.498  -1.097  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.944  -0.952   1.399  1.00  0.00           H  
HETATM   46  H   UNL     1       0.488  -0.671   0.264  1.00  0.00           H  
HETATM   47  H   UNL     1       0.660   0.811  -2.133  1.00  0.00           H  
HETATM   48  H   UNL     1       0.514   1.954  -0.777  1.00  0.00           H  
HETATM   49  H   UNL     1       2.604  -0.619  -2.351  1.00  0.00           H  
HETATM   50  H   UNL     1       4.993  -0.924  -1.852  1.00  0.00           H  
HETATM   51  H   UNL     1       2.257   2.128   0.895  1.00  0.00           H  
HETATM   52  H   UNL     1       4.645   1.839   1.409  1.00  0.00           H  
HETATM   53  H   UNL     1       9.931  -0.059   0.072  1.00  0.00           H  
HETATM   54  H   UNL     1       5.927   0.900   2.997  1.00  0.00           H  
HETATM   55  H   UNL     1       5.158  -0.567   2.345  1.00  0.00           H  
HETATM   56  H   UNL     1       6.639  -0.698   3.324  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   34                                            
CONECT    5    7    6    4   35                                       
CONECT    6    5   36   37   38                                       
CONECT    7    9    8    8    5                                       
CONECT    8    7    7                                                 
CONECT    9   14   10    7                                            
CONECT   10   11    9   39   40                                       
CONECT   11   13   12   10   41                                       
CONECT   12   11   42                                                 
CONECT   13   14   11   43   44                                       
CONECT   14   13   15    9   45                                       
CONECT   15   17   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   46                                            
CONECT   18   19   17   47   48                                       
CONECT   19   20   20   22   18                                       
CONECT   20   21   19   19   49                                       
CONECT   21   24   24   20   50                                       
CONECT   22   23   23   19   51                                       
CONECT   23   24   22   22   52                                       
CONECT   24   25   21   21   23                                       
CONECT   25   29   29   26   24                                       
CONECT   26   27   25                                                 
CONECT   27   28   28   26   53                                       
CONECT   28   27   27   29                                            
CONECT   29   28   30   25   25                                       
CONECT   30   29   54   55   56                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   27                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
