COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.491  -2.281  -1.012  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.339  -1.506  -0.601  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.651  -1.824  -0.651  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.973  -0.259  -0.058  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.669   0.130   0.023  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.306   1.143   0.731  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.302   1.933   1.540  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.626   1.828   0.908  1.00  0.00           N  
HETATM    9  C   UNL     1      -5.988   0.598   0.391  1.00  0.00           C  
HETATM   10  N   UNL     1      -7.262   0.220   0.312  1.00  0.00           N  
HETATM   11  C   UNL     1      -7.590  -0.954  -0.190  1.00  0.00           C  
HETATM   12  N   UNL     1      -8.911  -1.307  -0.250  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.854   1.546   0.750  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.084   0.638  -0.104  1.00  0.00           N  
HETATM   15  C   UNL     1       0.295   0.813  -0.245  1.00  0.00           C  
HETATM   16  C   UNL     1       0.938   1.844   0.428  1.00  0.00           C  
HETATM   17  C   UNL     1       2.301   2.015   0.287  1.00  0.00           C  
HETATM   18  C   UNL     1       3.026   1.161  -0.524  1.00  0.00           C  
HETATM   19  C   UNL     1       2.389   0.133  -1.195  1.00  0.00           C  
HETATM   20  C   UNL     1       1.027  -0.047  -1.054  1.00  0.00           C  
HETATM   21  S   UNL     1       4.765   1.382  -0.702  1.00  0.00           S  
HETATM   22  O   UNL     1       5.121   0.781  -1.940  1.00  0.00           O  
HETATM   23  O   UNL     1       5.029   2.744  -0.395  1.00  0.00           O  
HETATM   24  N   UNL     1       5.497   0.485   0.481  1.00  0.00           N  
HETATM   25  C   UNL     1       5.389  -0.897   0.470  1.00  0.00           C  
HETATM   26  S   UNL     1       6.091  -1.944   1.625  1.00  0.00           S  
HETATM   27  C   UNL     1       5.422  -3.339   0.783  1.00  0.00           C  
HETATM   28  C   UNL     1       4.740  -2.898  -0.274  1.00  0.00           C  
HETATM   29  N   UNL     1       4.735  -1.584  -0.415  1.00  0.00           N  
HETATM   30  H   UNL     1      -4.348   1.533   2.553  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.167  -2.168  -0.617  1.00  0.00           H  
HETATM   32  H   UNL     1      -9.592  -0.697   0.075  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.755   2.566   0.379  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.476   1.493   1.771  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.531  -0.085  -0.571  1.00  0.00           H  
HETATM   36  H   UNL     1       0.372   2.512   1.061  1.00  0.00           H  
HETATM   37  H   UNL     1       2.802   2.816   0.810  1.00  0.00           H  
HETATM   38  H   UNL     1       2.958  -0.532  -1.828  1.00  0.00           H  
HETATM   39  H   UNL     1       0.530  -0.852  -1.575  1.00  0.00           H  
HETATM   40  H   UNL     1       6.002   0.926   1.182  1.00  0.00           H  
HETATM   41  H   UNL     1       5.542  -4.373   1.074  1.00  0.00           H  
HETATM   42  H   UNL     1       4.231  -3.560  -0.958  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.925  -2.679  -1.018  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.995   2.979   1.575  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.222   2.592   0.856  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    4                                       
CONECT    3   11    2   43                                            
CONECT    4    2    9    9    5                                       
CONECT    5    4    6    6                                            
CONECT    6    5    5    7   13                                       
CONECT    7    8    6   30   44                                       
CONECT    8    9    7   45                                            
CONECT    9   10    4    4    8                                       
CONECT   10   11   11    9                                            
CONECT   11   12    3   10   10                                       
CONECT   12   11   31   32                                            
CONECT   13    6   14   33   34                                       
CONECT   14   15   13   35                                            
CONECT   15   16   14   20   20                                       
CONECT   16   17   17   15   36                                       
CONECT   17   16   16   18   37                                       
CONECT   18   17   21   19   19                                       
CONECT   19   18   18   20   38                                       
CONECT   20   15   15   19   39                                       
CONECT   21   23   23   18   24                                       
CONECT   21   22   22                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   25   40                                            
CONECT   25   24   26   29   29                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   28   41                                       
CONECT   28   29   27   27   42                                       
CONECT   29   25   25   28                                            
CONECT   30    7                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   24                                                      
CONECT   41   27                                                      
CONECT   42   28                                                      
CONECT   43    3                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
