COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.547  -2.185  -0.794  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.104  -2.151   0.490  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.250  -0.497  -0.085  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.028  -1.580   2.848  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.083   0.891  -0.105  1.00  0.00           C  
HETATM    6  C   UNL     1       2.117  -0.778  -0.403  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.950   3.051   0.001  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.536   5.785  -0.076  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.803   5.094  -1.244  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.010   3.729  -1.208  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.489  -2.261  -3.284  1.00  0.00           C  
HETATM   12  C   UNL     1       4.168  -1.518   2.023  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.476   5.112   1.130  1.00  0.00           C  
HETATM   14  C   UNL     1       2.277   0.602  -0.423  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.682   3.747   1.171  1.00  0.00           C  
HETATM   16  C   UNL     1       1.181   1.432  -0.274  1.00  0.00           C  
HETATM   17  C   UNL     1       0.856  -1.329  -0.234  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.188  -1.072   1.331  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.601  -1.080   0.102  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.292  -1.650  -0.999  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.424  -1.603   1.513  1.00  0.00           N  
HETATM   22  N   UNL     1       3.229  -1.613  -0.554  1.00  0.00           N  
HETATM   23  O   UNL     1      -5.215  -2.621   0.682  1.00  0.00           O  
HETATM   24  O   UNL     1       4.891   0.075   0.008  1.00  0.00           O  
HETATM   25  O   UNL     1       5.522  -2.313  -0.134  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.159   1.709   0.040  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.727  -1.669  -2.230  1.00  0.00           O  
HETATM   28  S   UNL     1       4.623  -1.294   0.282  1.00  0.00           S  
HETATM   29  H   UNL     1      -4.092  -2.628  -1.615  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.013  -2.045   2.809  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.393  -2.129   3.543  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.126  -0.547   3.184  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.375   6.853  -0.106  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.849   5.623  -2.185  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.218   3.190  -2.121  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.697  -3.303  -3.041  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.429  -1.722  -3.401  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.923  -2.211  -4.214  1.00  0.00           H  
HETATM   39  H   UNL     1       3.825  -2.540   2.181  1.00  0.00           H  
HETATM   40  H   UNL     1       5.037  -1.325   2.653  1.00  0.00           H  
HETATM   41  H   UNL     1       3.370  -0.822   2.283  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.268   5.654   2.041  1.00  0.00           H  
HETATM   43  H   UNL     1       3.260   1.028  -0.554  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.636   3.221   2.114  1.00  0.00           H  
HETATM   45  H   UNL     1       1.311   2.504  -0.290  1.00  0.00           H  
HETATM   46  H   UNL     1       0.732  -2.402  -0.219  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.664  -0.639   2.170  1.00  0.00           H  
HETATM   48  H   UNL     1       3.184  -2.378  -1.148  1.00  0.00           H  
CONECT    1    2   20   20   29                                       
CONECT    2    1   21   23   23                                       
CONECT    3    5    5   17   19                                       
CONECT    4   21   30   31   32                                       
CONECT    5    3    3   16   26                                       
CONECT    6   14   17   17   22                                       
CONECT    7   10   10   15   26                                       
CONECT    8    9    9   13   33                                       
CONECT    9    8    8   10   34                                       
CONECT   10    7    7    9   35                                       
CONECT   11   27   36   37   38                                       
CONECT   12   28   39   40   41                                       
CONECT   13    8   15   15   42                                       
CONECT   14    6   16   16   43                                       
CONECT   15    7   13   13   44                                       
CONECT   16    5   14   14   45                                       
CONECT   17    3    6    6   46                                       
CONECT   18   19   19   21   47                                       
CONECT   19    3   18   18   20                                       
CONECT   20    1    1   19   27                                       
CONECT   21    2    4   18                                            
CONECT   22    6   28   48                                            
CONECT   23    2    2                                                 
CONECT   24   28   28                                                 
CONECT   25   28   28                                                 
CONECT   26    5    7                                                 
CONECT   27   11   20                                                 
CONECT   28   12   22   24   24                                       
CONECT   28   25   25                                                 
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   22                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
