COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.165   2.935  -1.300  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.490   0.868   0.537  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.645   1.531  -0.341  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.870   1.329  -0.782  1.00  0.00           C  
HETATM    5  C   UNL     1       3.824  -0.769   1.122  1.00  0.00           C  
HETATM    6  C   UNL     1       1.212  -2.698   0.221  1.00  0.00           C  
HETATM    7  C   UNL     1       4.521   0.389   0.830  1.00  0.00           C  
HETATM    8  C   UNL     1       0.301  -4.230  -1.775  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.532   2.189  -1.677  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.167   2.191  -1.447  1.00  0.00           C  
HETATM   11  C   UNL     1       0.364  -3.773   0.475  1.00  0.00           C  
HETATM   12  C   UNL     1       1.805   0.413   0.552  1.00  0.00           C  
HETATM   13  N   UNL     1       2.519   1.504   0.294  1.00  0.00           N  
HETATM   14  C   UNL     1       0.336   0.445   0.403  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.994   0.258   1.038  1.00  0.00           C  
HETATM   16  C   UNL     1       2.436  -0.762   0.983  1.00  0.00           C  
HETATM   17  N   UNL     1      -6.153   0.526   0.413  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.865   0.861   0.303  1.00  0.00           C  
HETATM   19  C   UNL     1       3.827   1.517   0.414  1.00  0.00           C  
HETATM   20  C   UNL     1       4.586   2.783   0.108  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.266   1.536  -0.112  1.00  0.00           N  
HETATM   22  N   UNL     1       1.692  -1.901   1.264  1.00  0.00           N  
HETATM   23  C   UNL     1       6.096   2.665  -0.116  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.375   1.523  -0.817  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.331  -0.512   0.746  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.065  -4.506  -0.539  1.00  0.00           N  
HETATM   27  N   UNL     1       1.102  -3.222  -2.057  1.00  0.00           N  
HETATM   28  O   UNL     1      -4.890  -0.389   2.062  1.00  0.00           O  
HETATM   29  C   UNL     1       1.573  -2.441  -1.099  1.00  0.00           C  
HETATM   30  H   UNL     1       4.998   2.121  -2.004  1.00  0.00           H  
HETATM   31  H   UNL     1       5.179   3.936  -1.732  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.083   0.356   1.397  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.200   0.799  -1.676  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.372   2.294  -0.714  1.00  0.00           H  
HETATM   35  H   UNL     1       4.343  -1.658   1.447  1.00  0.00           H  
HETATM   36  H   UNL     1       5.596   0.416   0.924  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.067  -4.848  -2.581  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.935   2.703  -2.537  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.507   2.707  -2.128  1.00  0.00           H  
HETATM   40  H   UNL     1       0.060  -4.005   1.485  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.032   0.237   0.704  1.00  0.00           H  
HETATM   42  H   UNL     1       4.218   3.682   0.601  1.00  0.00           H  
HETATM   43  H   UNL     1       0.258   2.324  -0.325  1.00  0.00           H  
HETATM   44  H   UNL     1       1.506  -2.143   2.185  1.00  0.00           H  
HETATM   45  H   UNL     1       6.540   1.672  -0.041  1.00  0.00           H  
HETATM   46  H   UNL     1       6.721   3.487   0.231  1.00  0.00           H  
HETATM   47  H   UNL     1       2.229  -1.616  -1.338  1.00  0.00           H  
CONECT    1   20   23   30   31                                       
CONECT    2   18   18    3   32                                       
CONECT    3   21    2   10   10                                       
CONECT    4   17   24   33   34                                       
CONECT    5   16   16    7   35                                       
CONECT    6   22   11   29   29                                       
CONECT    7   19   19    5   36                                       
CONECT    8   26   27   27   37                                       
CONECT    9   24   24   10   38                                       
CONECT   10    3    3    9   39                                       
CONECT   11   26   26    6   40                                       
CONECT   12   14   13   13   16                                       
CONECT   13   12   12   19                                            
CONECT   14   12   21   25   25                                       
CONECT   15   17   18   28   28                                       
CONECT   16   12    5    5   22                                       
CONECT   17   15    4   41                                            
CONECT   18   15    2    2   24                                       
CONECT   19   13   20    7    7                                       
CONECT   20   19    1   23   42                                       
CONECT   21   14    3   43                                            
CONECT   22   16    6   44                                            
CONECT   23   20    1   45   46                                       
CONECT   24   18    9    9    4                                       
CONECT   25   14   14                                                 
CONECT   26   11   11    8                                            
CONECT   27    8    8   29                                            
CONECT   28   15   15                                                 
CONECT   29   27    6    6   47                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
