COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.367   0.179  -1.753  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.916  -0.858   0.388  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.453  -1.143   0.042  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.607  -1.088   1.316  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.703  -2.736   1.003  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.357  -0.316   0.655  1.00  0.00           C  
HETATM    7  C   UNL     1       1.752   0.381   0.031  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.207  -1.360   0.985  1.00  0.00           N  
HETATM    9  N   UNL     1       0.907  -0.590   0.353  1.00  0.00           N  
HETATM   10  N   UNL     1       3.069   0.090  -0.283  1.00  0.00           N  
HETATM   11  N   UNL     1       5.154  -4.228  -0.639  1.00  0.00           N  
HETATM   12  C   UNL     1       3.993   0.838   0.579  1.00  0.00           C  
HETATM   13  C   UNL     1       4.957  -3.111  -0.704  1.00  0.00           C  
HETATM   14  C   UNL     1       4.702  -1.664  -0.788  1.00  0.00           C  
HETATM   15  C   UNL     1       3.324  -1.354  -0.199  1.00  0.00           C  
HETATM   16  C   UNL     1       1.291   1.708   0.013  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.044   1.964   0.329  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.358   3.331   0.270  1.00  0.00           C  
HETATM   19  C   UNL     1       0.637   4.136  -0.069  1.00  0.00           C  
HETATM   20  S   UNL     1       2.106   3.220  -0.358  1.00  0.00           S  
HETATM   21  N   UNL     1      -0.833   0.910   0.646  1.00  0.00           N  
HETATM   22  N   UNL     1      -5.727  -0.910  -0.835  1.00  0.00           N  
HETATM   23  C   UNL     1      -7.161  -0.879  -0.518  1.00  0.00           C  
HETATM   24  H   UNL     1      -4.316   0.091  -2.026  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.983   0.117  -2.650  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.535   1.138  -1.262  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.274  -1.607   1.094  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.997   0.132   0.836  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.371  -2.133  -0.406  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.094  -0.393  -0.664  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.689  -0.098   1.765  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.966  -1.838   2.022  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.833  -3.184   0.017  1.00  0.00           H  
HETATM   34  H   UNL     1       0.355  -2.733   1.264  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.258  -3.316   1.741  1.00  0.00           H  
HETATM   36  H   UNL     1       3.816   0.571   1.621  1.00  0.00           H  
HETATM   37  H   UNL     1       5.021   0.591   0.311  1.00  0.00           H  
HETATM   38  H   UNL     1       3.830   1.908   0.445  1.00  0.00           H  
HETATM   39  H   UNL     1       5.466  -1.127  -0.226  1.00  0.00           H  
HETATM   40  H   UNL     1       4.730  -1.350  -1.831  1.00  0.00           H  
HETATM   41  H   UNL     1       3.295  -1.668   0.844  1.00  0.00           H  
HETATM   42  H   UNL     1       2.560  -1.891  -0.762  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.349   3.702   0.486  1.00  0.00           H  
HETATM   44  H   UNL     1       0.555   5.209  -0.159  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.739  -0.918  -1.441  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.414  -1.736   0.106  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.394   0.042   0.018  1.00  0.00           H  
CONECT    1   22   24   25   26                                       
CONECT    2   22    3   27   28                                       
CONECT    3    2    4   29   30                                       
CONECT    4    3    8   31   32                                       
CONECT    5    8   33   34   35                                       
CONECT    6    9    8   21   21                                       
CONECT    7   10    9    9   16                                       
CONECT    8    4    6    5                                            
CONECT    9    7    7    6                                            
CONECT   10   15   12    7                                            
CONECT   11   13   13   13                                            
CONECT   12   10   36   37   38                                       
CONECT   13   11   11   11   14                                       
CONECT   14   13   15   39   40                                       
CONECT   15   14   10   41   42                                       
CONECT   16    7   20   17   17                                       
CONECT   17   16   16   21   18                                       
CONECT   18   17   19   19   43                                       
CONECT   19   20   18   18   44                                       
CONECT   20   16   19                                                 
CONECT   21    6    6   17                                            
CONECT   22    1   23    2                                            
CONECT   23   22   45   46   47                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
