COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.694   0.321  -1.106  1.00  0.00           N  
HETATM    2  C   UNL     1       3.150   0.162  -1.113  1.00  0.00           C  
HETATM    3  C   UNL     1       3.601  -0.353  -2.481  1.00  0.00           C  
HETATM    4  C   UNL     1       3.812   1.513  -0.834  1.00  0.00           C  
HETATM    5  C   UNL     1       1.090   1.037  -2.076  1.00  0.00           C  
HETATM    6  O   UNL     1       1.756   1.703  -2.844  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.382   1.011  -2.205  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.185   0.996  -1.063  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.559   0.978  -1.191  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.140   0.963  -2.446  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.349   0.972  -3.582  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.975   0.996  -3.468  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.641   0.937  -2.577  1.00  0.00           C  
HETATM   14  C   UNL     1       0.932  -0.266  -0.097  1.00  0.00           C  
HETATM   15  C   UNL     1       0.195  -1.426  -0.341  1.00  0.00           C  
HETATM   16  S   UNL     1      -0.559  -1.732   1.247  1.00  0.00           S  
HETATM   17  C   UNL     1       0.116  -0.335   2.128  1.00  0.00           C  
HETATM   18  C   UNL     1       0.885   0.283   1.160  1.00  0.00           C  
HETATM   19  C   UNL     1       0.081  -2.171  -1.537  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.684  -3.282  -1.569  1.00  0.00           O  
HETATM   21  O   UNL     1       0.673  -1.811  -2.537  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.091   0.059   3.537  1.00  0.00           C  
HETATM   23  C   UNL     1       0.974   0.547   4.294  1.00  0.00           C  
HETATM   24  C   UNL     1       0.772   0.920   5.606  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.482   0.799   6.177  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.543   0.311   5.434  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.355  -0.059   4.119  1.00  0.00           C  
HETATM   28  H   UNL     1       3.441  -0.551  -0.342  1.00  0.00           H  
HETATM   29  H   UNL     1       3.243  -1.373  -2.621  1.00  0.00           H  
HETATM   30  H   UNL     1       3.190   0.285  -3.263  1.00  0.00           H  
HETATM   31  H   UNL     1       4.689  -0.338  -2.535  1.00  0.00           H  
HETATM   32  H   UNL     1       3.517   1.864   0.154  1.00  0.00           H  
HETATM   33  H   UNL     1       4.896   1.401  -0.871  1.00  0.00           H  
HETATM   34  H   UNL     1       3.495   2.235  -1.586  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.733   1.007  -0.083  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.181   0.970  -0.308  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.809   0.960  -4.559  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.359   1.004  -4.355  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.986  -0.096  -2.605  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.089   1.447  -1.725  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.934   1.442  -3.498  1.00  0.00           H  
HETATM   42  H   UNL     1       1.438   1.182   1.388  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.626  -3.636  -2.468  1.00  0.00           H  
HETATM   44  H   UNL     1       1.954   0.641   3.850  1.00  0.00           H  
HETATM   45  H   UNL     1       1.595   1.303   6.191  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.635   1.088   7.206  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.520   0.219   5.886  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.183  -0.440   3.540  1.00  0.00           H  
CONECT    1    2    5   14                                            
CONECT    2    1    3    4   28                                       
CONECT    3    2   29   30   31                                       
CONECT    4    2   32   33   34                                       
CONECT    5    1    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8   12                                       
CONECT    8    7    7    9   35                                       
CONECT    9    8   10   10   36                                       
CONECT   10    9    9   11   13                                       
CONECT   11   10   12   12   37                                       
CONECT   12    7   11   11   38                                       
CONECT   13   10   39   40   41                                       
CONECT   14    1   15   15   18                                       
CONECT   15   14   14   16   19                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   18   22                                       
CONECT   18   14   17   17   42                                       
CONECT   19   15   20   21   21                                       
CONECT   20   19   43                                                 
CONECT   21   19   19                                                 
CONECT   22   17   23   23   27                                       
CONECT   23   22   22   24   44                                       
CONECT   24   23   25   25   45                                       
CONECT   25   24   24   26   46                                       
CONECT   26   25   27   27   47                                       
CONECT   27   22   26   26   48                                       
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
