COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.729  -0.307   0.737  1.00  0.00           C  
HETATM    2  C   UNL     1       4.678  -1.134   3.433  1.00  0.00           C  
HETATM    3  C   UNL     1       4.220  -1.208   1.954  1.00  0.00           C  
HETATM    4  C   UNL     1       4.490  -2.407   5.564  1.00  0.00           C  
HETATM    5  C   UNL     1       4.985  -3.838   5.467  1.00  0.00           C  
HETATM    6  C   UNL     1       4.292  -6.064   5.169  1.00  0.00           C  
HETATM    7  C   UNL     1       3.074  -6.937   4.957  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.176  -0.137  -1.697  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.820  -0.334   0.202  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.536   1.875  -0.126  1.00  0.00           N  
HETATM   11  S   UNL     1      -0.574   0.182  -0.337  1.00  0.00           S  
HETATM   12  C   UNL     1       2.085  -0.490   0.555  1.00  0.00           C  
HETATM   13  C   UNL     1       2.752  -0.891   1.758  1.00  0.00           C  
HETATM   14  C   UNL     1       1.833  -1.026   2.778  1.00  0.00           C  
HETATM   15  S   UNL     1       0.246  -0.637   2.348  1.00  0.00           S  
HETATM   16  S   UNL     1       2.173  -1.522   4.431  1.00  0.00           S  
HETATM   17  O   UNL     1       1.331  -2.670   4.695  1.00  0.00           O  
HETATM   18  O   UNL     1       2.087  -0.302   5.207  1.00  0.00           O  
HETATM   19  N   UNL     1       3.825  -2.024   4.296  1.00  0.00           N  
HETATM   20  N   UNL     1       5.035  -0.274   1.175  1.00  0.00           N  
HETATM   21  O   UNL     1       3.878  -4.708   5.266  1.00  0.00           O  
HETATM   22  C   UNL     1       6.451  -0.554   1.356  1.00  0.00           C  
HETATM   23  C   UNL     1       7.290   0.373   0.544  1.00  0.00           C  
HETATM   24  H   UNL     1       5.722  -1.464   3.507  1.00  0.00           H  
HETATM   25  H   UNL     1       4.630  -0.109   3.825  1.00  0.00           H  
HETATM   26  H   UNL     1       4.394  -2.224   1.578  1.00  0.00           H  
HETATM   27  H   UNL     1       3.768  -2.291   6.379  1.00  0.00           H  
HETATM   28  H   UNL     1       5.329  -1.724   5.729  1.00  0.00           H  
HETATM   29  H   UNL     1       5.478  -4.128   6.400  1.00  0.00           H  
HETATM   30  H   UNL     1       5.688  -3.965   4.637  1.00  0.00           H  
HETATM   31  H   UNL     1       4.986  -6.161   4.328  1.00  0.00           H  
HETATM   32  H   UNL     1       4.808  -6.342   6.093  1.00  0.00           H  
HETATM   33  H   UNL     1       3.358  -7.990   4.877  1.00  0.00           H  
HETATM   34  H   UNL     1       2.368  -6.823   5.786  1.00  0.00           H  
HETATM   35  H   UNL     1       2.544  -6.644   4.045  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.184   2.448  -0.903  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.306   2.311   0.396  1.00  0.00           H  
HETATM   38  H   UNL     1       2.571  -0.339  -0.400  1.00  0.00           H  
HETATM   39  H   UNL     1       4.793  -0.368   0.192  1.00  0.00           H  
HETATM   40  H   UNL     1       6.679  -0.446   2.420  1.00  0.00           H  
HETATM   41  H   UNL     1       6.625  -1.593   1.062  1.00  0.00           H  
HETATM   42  H   UNL     1       7.079   0.257  -0.525  1.00  0.00           H  
HETATM   43  H   UNL     1       7.116   1.414   0.836  1.00  0.00           H  
HETATM   44  H   UNL     1       8.352   0.149   0.704  1.00  0.00           H  
CONECT    1   11   12   12   15                                       
CONECT    2    3   19   24   25                                       
CONECT    3    2   13   20   26                                       
CONECT    4    5   19   27   28                                       
CONECT    5    4   21   29   30                                       
CONECT    6    7   21   31   32                                       
CONECT    7    6   33   34   35                                       
CONECT    8   11   11                                                 
CONECT    9   11   11                                                 
CONECT   10   11   36   37                                            
CONECT   11    1    8    8    9                                       
CONECT   11    9   10                                                 
CONECT   12    1    1   13   38                                       
CONECT   13    3   12   14   14                                       
CONECT   14   13   13   15   16                                       
CONECT   15    1   14                                                 
CONECT   16   14   17   17   18                                       
CONECT   16   18   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19    2    4   16                                            
CONECT   20    3   22   39                                            
CONECT   21    5    6                                                 
CONECT   22   20   23   40   41                                       
CONECT   23   22   42   43   44                                       
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   20                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
