COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  S   UNL     1       8.251  -0.518   8.105  1.00  0.00           S  
HETATM    2  C   UNL     1       7.153  -1.521   7.498  1.00  0.00           C  
HETATM    3  N   UNL     1       5.809  -1.011   7.752  1.00  0.00           N  
HETATM    4  C   UNL     1       4.663  -1.308   7.013  1.00  0.00           C  
HETATM    5  C   UNL     1       4.753  -2.119   5.882  1.00  0.00           C  
HETATM    6  C   UNL     1       3.608  -2.415   5.143  1.00  0.00           C  
HETATM    7  C   UNL     1       3.745  -3.267   3.968  1.00  0.00           C  
HETATM    8  O   UNL     1       4.766  -4.157   4.091  1.00  0.00           O  
HETATM    9  O   UNL     1       3.034  -3.213   2.962  1.00  0.00           O  
HETATM   10  C   UNL     1       3.428  -0.793   7.406  1.00  0.00           C  
HETATM   11  C   UNL     1       2.282  -1.089   6.667  1.00  0.00           C  
HETATM   12  C   UNL     1       2.381  -1.898   5.541  1.00  0.00           C  
HETATM   13  C   UNL     1       1.155  -2.188   4.787  1.00  0.00           C  
HETATM   14  C   UNL     1       0.405  -3.275   5.113  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.828  -3.583   4.370  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.241  -2.767   3.326  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.580  -4.651   4.676  1.00  0.00           C  
HETATM   18  C   UNL     1       0.777  -4.186   6.205  1.00  0.00           C  
HETATM   19  C   UNL     1       0.040  -5.256   6.526  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.200  -5.566   5.779  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.887  -6.541   6.061  1.00  0.00           O  
HETATM   22  C   UNL     1       0.682  -1.335   3.667  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.493  -1.670   2.994  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.971  -0.892   1.935  1.00  0.00           C  
HETATM   25  C   UNL     1       1.377  -0.188   3.249  1.00  0.00           C  
HETATM   26  C   UNL     1       0.904   0.593   2.191  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.270   0.241   1.534  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.731   1.001   0.504  1.00  0.00           O  
HETATM   29  N   UNL     1       7.356  -2.852   8.045  1.00  0.00           N  
HETATM   30  C   UNL     1       6.303  -3.542   8.751  1.00  0.00           C  
HETATM   31  C   UNL     1       6.746  -4.897   9.187  1.00  0.00           C  
HETATM   32  H   UNL     1       5.718  -2.520   5.577  1.00  0.00           H  
HETATM   33  H   UNL     1       4.867  -4.734   3.305  1.00  0.00           H  
HETATM   34  H   UNL     1       3.345  -0.160   8.285  1.00  0.00           H  
HETATM   35  H   UNL     1       1.327  -0.679   6.987  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.489  -4.880   4.131  1.00  0.00           H  
HETATM   37  H   UNL     1       1.677  -4.000   6.781  1.00  0.00           H  
HETATM   38  H   UNL     1       0.327  -5.919   7.335  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.889  -1.171   1.424  1.00  0.00           H  
HETATM   40  H   UNL     1       2.299   0.119   3.738  1.00  0.00           H  
HETATM   41  H   UNL     1       1.461   1.475   1.886  1.00  0.00           H  
HETATM   42  H   UNL     1       6.027  -2.932   9.617  1.00  0.00           H  
HETATM   43  H   UNL     1       5.442  -3.612   8.081  1.00  0.00           H  
HETATM   44  H   UNL     1       7.007  -5.519   8.324  1.00  0.00           H  
HETATM   45  H   UNL     1       7.609  -4.829   9.858  1.00  0.00           H  
HETATM   46  H   UNL     1       5.934  -5.397   9.729  1.00  0.00           H  
HETATM   47  H   UNL     1       8.303  -3.211   8.103  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.124   0.949  -0.252  1.00  0.00           H  
HETATM   49  H   UNL     1       5.710  -0.412   8.577  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   29    3                                       
CONECT    3    2    4   49                                            
CONECT    4    3    5   10   10                                       
CONECT    5    4    6    6   32                                       
CONECT    6    5    5    7   12                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   33                                                 
CONECT    9    7    7                                                 
CONECT   10    4    4   11   34                                       
CONECT   11   10   12   12   35                                       
CONECT   12    6   11   11   13                                       
CONECT   13   12   14   14   22                                       
CONECT   14   13   13   15   18                                       
CONECT   15   14   16   17   17                                       
CONECT   16   15   23                                                 
CONECT   17   15   15   20   36                                       
CONECT   18   14   19   19   37                                       
CONECT   19   18   18   20   38                                       
CONECT   20   17   19   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   13   23   23   25                                       
CONECT   23   16   22   22   24                                       
CONECT   24   23   27   27   39                                       
CONECT   25   22   26   26   40                                       
CONECT   26   25   25   27   41                                       
CONECT   27   24   24   26   28                                       
CONECT   28   27   48                                                 
CONECT   29    2   30   47                                            
CONECT   30   29   31   42   43                                       
CONECT   31   30   44   45   46                                       
CONECT   32    5                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   30                                                      
CONECT   43   30                                                      
CONECT   44   31                                                      
CONECT   45   31                                                      
CONECT   46   31                                                      
CONECT   47   29                                                      
CONECT   48   28                                                      
CONECT   49    3                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
