COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.500   0.321   0.727  1.00  0.00           N  
HETATM    2  N   UNL     1       3.506   0.953  -1.376  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.423  -1.567  -0.465  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.577  -0.531   0.447  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.798  -0.339   1.081  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.858  -1.179   0.805  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.704   1.508   1.561  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.481   2.817   0.404  1.00  0.00           C  
HETATM    9  C   UNL     1       0.723   0.045   0.235  1.00  0.00           C  
HETATM   10  C   UNL     1       4.948  -0.546  -0.785  1.00  0.00           C  
HETATM   11  C   UNL     1       4.133  -1.305   1.365  1.00  0.00           C  
HETATM   12  C   UNL     1       6.019  -1.443  -0.678  1.00  0.00           C  
HETATM   13  O   UNL     1       0.876  -0.890  -0.522  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.193   2.647   0.703  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.339   3.595   0.167  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.934   4.536  -0.568  1.00  0.00           C  
HETATM   17  S   UNL     1      -2.667   4.239  -0.615  1.00  0.00           S  
HETATM   18  C   UNL     1      -2.484  -2.407  -0.741  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.704  -2.215  -0.106  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.779  -3.067  -0.385  1.00  0.00           N  
HETATM   21  C   UNL     1      -6.066  -2.865   0.284  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.617  -4.160  -1.347  1.00  0.00           C  
HETATM   23  C   UNL     1       1.903   0.899   0.624  1.00  0.00           C  
HETATM   24  N   UNL     1       3.085   0.471  -0.128  1.00  0.00           N  
HETATM   25  C   UNL     1       4.000  -0.482   0.251  1.00  0.00           C  
HETATM   26  C   UNL     1       5.195  -2.178   1.445  1.00  0.00           C  
HETATM   27  C   UNL     1       6.132  -2.241   0.422  1.00  0.00           C  
HETATM   28  N   UNL     1       4.584   0.345  -1.728  1.00  0.00           N  
HETATM   29  H   UNL     1      -0.475  -1.713  -0.961  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.917   0.467   1.789  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.807  -1.030   1.298  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.444   1.289   2.331  1.00  0.00           H  
HETATM   33  H   UNL     1       0.239   1.787   2.032  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.287   2.177   0.733  1.00  0.00           H  
HETATM   35  H   UNL     1       3.407  -1.259   2.163  1.00  0.00           H  
HETATM   36  H   UNL     1       6.754  -1.503  -1.467  1.00  0.00           H  
HETATM   37  H   UNL     1       0.728   3.576   0.332  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.429   5.353  -1.062  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.365  -3.210  -1.453  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.683  -2.191  -0.310  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.575  -3.823   0.390  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.899  -2.431   1.270  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.279  -5.056  -0.825  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.571  -4.361  -1.833  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.879  -3.877  -2.098  1.00  0.00           H  
HETATM   46  H   UNL     1       1.686   1.943   0.397  1.00  0.00           H  
HETATM   47  H   UNL     1       2.092   0.791   1.692  1.00  0.00           H  
HETATM   48  H   UNL     1       5.300  -2.817   2.309  1.00  0.00           H  
HETATM   49  H   UNL     1       6.960  -2.931   0.499  1.00  0.00           H  
CONECT    1    9    4    7                                            
CONECT    2   28   28   24                                            
CONECT    3    4   18   18   29                                       
CONECT    4    1    5    5    3                                       
CONECT    5    4    4    6   30                                       
CONECT    6    5   19   19   31                                       
CONECT    7    1   14   32   33                                       
CONECT    8   17   14   14   34                                       
CONECT    9   23   13   13    1                                       
CONECT   10   28   12   12   25                                       
CONECT   11   25   25   26   35                                       
CONECT   12   10   10   27   36                                       
CONECT   13    9    9                                                 
CONECT   14   15    7    8    8                                       
CONECT   15   16   16   14   37                                       
CONECT   16   15   15   17   38                                       
CONECT   17   16    8                                                 
CONECT   18    3    3   19   39                                       
CONECT   19    6    6   18   20                                       
CONECT   20   22   19   21                                            
CONECT   21   20   40   41   42                                       
CONECT   22   20   43   44   45                                       
CONECT   23   24    9   46   47                                       
CONECT   24    2   25   23                                            
CONECT   25   10   24   11   11                                       
CONECT   26   27   27   11   48                                       
CONECT   27   12   26   26   49                                       
CONECT   28    2    2   10                                            
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
