COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.623   2.499  -1.589  1.00  0.00           C  
HETATM    2  C   UNL     1       3.965   0.119  -0.858  1.00  0.00           C  
HETATM    3  N   UNL     1       1.856   0.752  -0.951  1.00  0.00           N  
HETATM    4  C   UNL     1       0.747  -1.358  -0.232  1.00  0.00           C  
HETATM    5  C   UNL     1       0.944  -2.676   0.172  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.323  -2.963   0.375  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.528  -1.637  -0.042  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.904  -1.096  -0.154  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.049  -1.811  -0.559  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.443   0.920   1.889  1.00  0.00           C  
HETATM   11  C   UNL     1       6.120   0.479  -2.260  1.00  0.00           C  
HETATM   12  C   UNL     1       7.982   1.627   1.433  1.00  0.00           C  
HETATM   13  C   UNL     1       7.510   1.193   2.657  1.00  0.00           C  
HETATM   14  C   UNL     1       6.378   0.402   2.721  1.00  0.00           C  
HETATM   15  C   UNL     1       5.717   0.046   1.559  1.00  0.00           C  
HETATM   16  N   UNL     1       3.181   1.173  -1.150  1.00  0.00           N  
HETATM   17  N   UNL     1       3.198  -0.878  -0.506  1.00  0.00           N  
HETATM   18  C   UNL     1       1.912  -0.502  -0.560  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.092  -3.444   0.465  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.486  -0.868  -0.330  1.00  0.00           N  
HETATM   21  N   UNL     1      -5.069  -0.994  -0.530  1.00  0.00           N  
HETATM   22  N   UNL     1      -4.620   0.264  -0.111  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.294   0.183   0.121  1.00  0.00           C  
HETATM   24  S   UNL     1      -5.557   1.615   0.079  1.00  0.00           S  
HETATM   25  O   UNL     1      -5.050   2.299   1.216  1.00  0.00           O  
HETATM   26  O   UNL     1      -5.662   2.214  -1.206  1.00  0.00           O  
HETATM   27  N   UNL     1      -7.080   1.103   0.481  1.00  0.00           N  
HETATM   28  C   UNL     1      -8.064   0.833  -0.570  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.410  -3.770   0.682  1.00  0.00           N  
HETATM   30  C   UNL     1       5.470   0.092  -0.931  1.00  0.00           C  
HETATM   31  C   UNL     1       6.115  -0.982  -1.809  1.00  0.00           C  
HETATM   32  C   UNL     1       6.189   0.481   0.335  1.00  0.00           C  
HETATM   33  C   UNL     1       7.322   1.271   0.271  1.00  0.00           C  
HETATM   34  H   UNL     1       3.771   2.494  -2.668  1.00  0.00           H  
HETATM   35  H   UNL     1       2.866   3.239  -1.329  1.00  0.00           H  
HETATM   36  H   UNL     1       4.562   2.751  -1.094  1.00  0.00           H  
HETATM   37  H   UNL     1       1.946  -3.072   0.247  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.080  -2.853  -0.843  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.849   1.851   2.283  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.192   0.133   1.971  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.557   0.640   2.459  1.00  0.00           H  
HETATM   42  H   UNL     1       5.459   0.754  -3.083  1.00  0.00           H  
HETATM   43  H   UNL     1       7.069   1.015  -2.220  1.00  0.00           H  
HETATM   44  H   UNL     1       8.864   2.249   1.383  1.00  0.00           H  
HETATM   45  H   UNL     1       8.026   1.471   3.564  1.00  0.00           H  
HETATM   46  H   UNL     1       6.009   0.062   3.677  1.00  0.00           H  
HETATM   47  H   UNL     1       4.833  -0.572   1.609  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.655   0.986   0.456  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.991  -0.210  -0.876  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.066   1.032  -0.189  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.866   1.478  -1.427  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.268  -4.688   0.963  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.311  -3.417   0.616  1.00  0.00           H  
HETATM   54  H   UNL     1       5.451  -1.669  -2.334  1.00  0.00           H  
HETATM   55  H   UNL     1       7.060  -1.408  -1.471  1.00  0.00           H  
HETATM   56  H   UNL     1       7.688   1.614  -0.685  1.00  0.00           H  
CONECT    1   16   34   35   36                                       
CONECT    2   30   17   17   16                                       
CONECT    3   16   18   18                                            
CONECT    4   20   18    5    5                                       
CONECT    5    4    4   19   37                                       
CONECT    6    7   29   19   19                                       
CONECT    7    8   20   20    6                                       
CONECT    8   23   23    9    7                                       
CONECT    9   21   21    8   38                                       
CONECT   10   27   39   40   41                                       
CONECT   11   30   31   42   43                                       
CONECT   12   13   13   33   44                                       
CONECT   13   12   12   14   45                                       
CONECT   14   13   15   15   46                                       
CONECT   15   14   14   32   47                                       
CONECT   16    2    1    3                                            
CONECT   17    2    2   18                                            
CONECT   18   17    3    3    4                                       
CONECT   19    6    6    5                                            
CONECT   20    7    7    4                                            
CONECT   21   22    9    9                                            
CONECT   22   24   23   21                                            
CONECT   23   22    8    8   48                                       
CONECT   24   25   25   27   26                                       
CONECT   24   26   22                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   28   24   10                                            
CONECT   28   27   49   50   51                                       
CONECT   29    6   52   53                                            
CONECT   30   32   11   31    2                                       
CONECT   31   30   11   54   55                                       
CONECT   32   33   33   15   30                                       
CONECT   33   12   32   32   56                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    5                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   23                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   33                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
