COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.584   0.563  -0.022  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.323   0.406   0.262  1.00  0.00           C  
HETATM    3  C   UNL     1       3.431   1.170   0.110  1.00  0.00           C  
HETATM    4  C   UNL     1       4.164   0.022  -0.165  1.00  0.00           C  
HETATM    5  C   UNL     1       7.645  -0.876   0.716  1.00  0.00           C  
HETATM    6  C   UNL     1       7.573   1.438   0.104  1.00  0.00           C  
HETATM    7  C   UNL     1       3.510  -1.169  -0.447  1.00  0.00           C  
HETATM    8  C   UNL     1       2.299  -3.521  -1.005  1.00  0.00           C  
HETATM    9  O   UNL     1       1.484  -2.380  -0.732  1.00  0.00           O  
HETATM   10  C   UNL     1       2.126  -1.214  -0.455  1.00  0.00           C  
HETATM   11  C   UNL     1       1.393  -0.062  -0.180  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.009  -0.104  -0.187  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.716   1.020  -0.422  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.177   1.003  -0.310  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.015   2.064  -0.524  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.281   1.784  -0.360  1.00  0.00           N  
HETATM   17  C   UNL     1      -5.958   0.068   0.205  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.057   0.920   0.044  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.461  -0.922   0.627  1.00  0.00           C  
HETATM   20  N   UNL     1      -7.407  -1.703   0.766  1.00  0.00           N  
HETATM   21  C   UNL     1      -6.183  -1.262   0.565  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.170  -0.388   0.117  1.00  0.00           S  
HETATM   23  O   UNL     1      -0.140   2.048  -0.727  1.00  0.00           O  
HETATM   24  C   UNL     1       2.050   1.127   0.102  1.00  0.00           C  
HETATM   25  N   UNL     1       5.562   0.068  -0.156  1.00  0.00           N  
HETATM   26  C   UNL     1       6.116  -0.919   0.782  1.00  0.00           C  
HETATM   27  O   UNL     1       8.093   0.452   0.999  1.00  0.00           O  
HETATM   28  C   UNL     1       6.044   1.419   0.164  1.00  0.00           C  
HETATM   29  H   UNL     1      -9.194   1.035   0.152  1.00  0.00           H  
HETATM   30  H   UNL     1       3.941   2.095   0.333  1.00  0.00           H  
HETATM   31  H   UNL     1       8.061  -1.566   1.451  1.00  0.00           H  
HETATM   32  H   UNL     1       7.974  -1.166  -0.282  1.00  0.00           H  
HETATM   33  H   UNL     1       7.937   2.423   0.396  1.00  0.00           H  
HETATM   34  H   UNL     1       7.900   1.217  -0.912  1.00  0.00           H  
HETATM   35  H   UNL     1       4.081  -2.061  -0.661  1.00  0.00           H  
HETATM   36  H   UNL     1       1.663  -4.382  -1.208  1.00  0.00           H  
HETATM   37  H   UNL     1       2.927  -3.319  -1.873  1.00  0.00           H  
HETATM   38  H   UNL     1       2.931  -3.731  -0.141  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.470  -0.941  -0.023  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.661   3.046  -0.803  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.920   1.952  -0.243  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.448  -1.324   0.803  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.345  -1.931   0.692  1.00  0.00           H  
HETATM   44  H   UNL     1       1.482   2.020   0.316  1.00  0.00           H  
HETATM   45  H   UNL     1       5.767  -1.915   0.511  1.00  0.00           H  
HETATM   46  H   UNL     1       5.789  -0.681   1.795  1.00  0.00           H  
HETATM   47  H   UNL     1       5.716   1.694   1.166  1.00  0.00           H  
HETATM   48  H   UNL     1       5.642   2.130  -0.559  1.00  0.00           H  
CONECT    1   16   16   22   17                                       
CONECT    2   18   18   19   29                                       
CONECT    3   24   24    4   30                                       
CONECT    4    3   25    7    7                                       
CONECT    5   27   26   31   32                                       
CONECT    6   27   28   33   34                                       
CONECT    7    4    4   10   35                                       
CONECT    8    9   36   37   38                                       
CONECT    9   10    8                                                 
CONECT   10   11   11    7    9                                       
CONECT   11   24   12   10   10                                       
CONECT   12   13   11   39                                            
CONECT   13   23   23   12   14                                       
CONECT   14   13   15   15   22                                       
CONECT   15   14   14   16   40                                       
CONECT   16   15    1    1                                            
CONECT   17    1   21   21   18                                       
CONECT   18   17    2    2   41                                       
CONECT   19   20   20    2   42                                       
CONECT   20   21   19   19                                            
CONECT   21   17   17   20   43                                       
CONECT   22   14    1                                                 
CONECT   23   13   13                                                 
CONECT   24    3    3   11   44                                       
CONECT   25   26   28    4                                            
CONECT   26    5   25   45   46                                       
CONECT   27    5    6                                                 
CONECT   28    6   25   47   48                                       
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   24                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
