COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.595   1.001  -1.957  1.00  0.00           C  
HETATM    2  CA  UNL     1       1.377   0.720  -0.493  1.00  0.00           C  
HETATM    3  C   UNL     1       2.572  -0.060   0.060  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.041   0.541  -0.252  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.262  -0.248   0.035  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.186  -1.722   0.122  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.089  -3.676   0.138  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.280  -2.494   0.276  1.00  0.00           C  
HETATM    9  C   UNL     1       2.351  -0.346   1.546  1.00  0.00           C  
HETATM   10  C   UNL     1       2.713  -1.382  -0.698  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.769   2.300   0.437  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.920   3.822   0.481  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.054   3.003   1.766  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.890   1.507  -0.185  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.402   0.357   0.210  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.031  -2.384   0.049  1.00  0.00           N  
HETATM   17  N   UNL     1       0.000  -4.530   0.084  1.00  0.00           N  
HETATM   18  N   UNL     1       0.157  -0.073  -0.324  1.00  0.00           N  
HETATM   19  N   UNL     1       3.796   0.735  -0.110  1.00  0.00           N  
HETATM   20  O   UNL     1      -3.456   1.772   0.238  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.119   1.742  -0.421  1.00  0.00           O  
HETATM   22  O   UNL     1       0.809   0.587  -2.775  1.00  0.00           O  
HETATM   23  O   UNL     1       4.962   0.019   0.409  1.00  0.00           O  
HETATM   24  O   UNL     1       6.217   1.442  -0.990  1.00  0.00           O  
HETATM   25  O   UNL     1       6.270   1.877   1.326  1.00  0.00           O  
HETATM   26  O   UNL     1       7.305  -0.123   0.627  1.00  0.00           O  
HETATM   27  O   UNL     1      -7.009   1.963  -0.213  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.645   0.295  -0.708  1.00  0.00           O  
HETATM   29  S   UNL     1      -2.765  -4.177   0.335  1.00  0.00           S  
HETATM   30  S   UNL     1       6.271   0.783   0.267  1.00  0.00           S  
HETATM   31  H   UNL     1       2.452   1.577  -2.275  1.00  0.00           H  
HETATM   32  HA  UNL     1       1.277   1.661   0.047  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.298  -2.141   0.351  1.00  0.00           H  
HETATM   34  H   UNL     1       1.443  -0.936   1.672  1.00  0.00           H  
HETATM   35  H   UNL     1       3.202  -0.901   1.940  1.00  0.00           H  
HETATM   36  H   UNL     1       2.251   0.595   2.086  1.00  0.00           H  
HETATM   37  H   UNL     1       2.871  -1.178  -1.758  1.00  0.00           H  
HETATM   38  H   UNL     1       3.565  -1.937  -0.305  1.00  0.00           H  
HETATM   39  H   UNL     1       1.805  -1.971  -0.573  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.017   4.420   0.358  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.829   4.250   0.060  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.052   2.892   2.191  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.240   3.062   2.489  1.00  0.00           H  
HETATM   44  H   UNL     1       0.894  -4.170  -0.029  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.131  -5.488   0.159  1.00  0.00           H  
HETATM   46  H   UNL     1       0.211  -1.039  -0.265  1.00  0.00           H  
HETATM   47  H   UNL     1       3.703   1.639   0.328  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.396  -0.175  -1.096  1.00  0.00           H  
HETATM   49  H   UNL     1       7.066   2.427   1.323  1.00  0.00           H  
CONECT    1   22   22    2   31                                       
CONECT    2    1   18    3   32                                       
CONECT    3   19    2   10    9                                       
CONECT    4    5   18   21   21                                       
CONECT    5    6   15   15    4                                       
CONECT    6   16    8    8    5                                       
CONECT    7   17   16   16   29                                       
CONECT    8   29    6    6   33                                       
CONECT    9    3   34   35   36                                       
CONECT   10    3   37   38   39                                       
CONECT   11   14   20   12   13                                       
CONECT   12   11   13   40   41                                       
CONECT   13   11   12   42   43                                       
CONECT   14   27   27   28   11                                       
CONECT   15    5    5   20                                            
CONECT   16    7    7    6                                            
CONECT   17    7   44   45                                            
CONECT   18    4    2   46                                            
CONECT   19   23    3   47                                            
CONECT   20   15   11                                                 
CONECT   21    4    4                                                 
CONECT   22    1    1                                                 
CONECT   23   30   19                                                 
CONECT   24   30   30                                                 
CONECT   25   30   49                                                 
CONECT   26   30   30                                                 
CONECT   27   14   14                                                 
CONECT   28   14   48                                                 
CONECT   29    7    8                                                 
CONECT   30   24   24   26   26                                       
CONECT   30   23   25                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   28                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
