COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.730   0.902  -1.826  1.00  0.00           C  
HETATM    2  C   UNL     1       1.979  -0.127  -1.374  1.00  0.00           C  
HETATM    3  C   UNL     1       1.500  -0.218   0.049  1.00  0.00           C  
HETATM    4  C   UNL     1       1.739   1.101   0.730  1.00  0.00           C  
HETATM    5  C   UNL     1       2.536   2.110   0.142  1.00  0.00           C  
HETATM    6  N   UNL     1       1.341  -2.000  -3.010  1.00  0.00           N  
HETATM    7  C   UNL     1       1.297   1.555   1.912  1.00  0.00           C  
HETATM    8  N   UNL     1       2.562   3.126   0.955  1.00  0.00           N  
HETATM    9  C   UNL     1       0.413   0.808   2.877  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.059  -1.949   0.452  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.314  -0.440   0.007  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.424  -1.784   0.349  1.00  0.00           C  
HETATM   13  C   UNL     1       1.307  -2.546   0.640  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.546   0.353  -0.228  1.00  0.00           C  
HETATM   15  F   UNL     1      -1.406  -3.870   0.909  1.00  0.00           F  
HETATM   16  C   UNL     1      -1.299  -2.565   0.578  1.00  0.00           C  
HETATM   17  C   UNL     1       2.261  -1.337   0.788  1.00  0.00           C  
HETATM   18  C   UNL     1       2.462  -0.976   2.261  1.00  0.00           C  
HETATM   19  C   UNL     1       3.604  -1.619   0.112  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.810  -0.232  -0.111  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.930   0.541  -0.338  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.818   1.816  -0.661  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.644   2.406  -0.782  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.474   1.707  -0.567  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.066   0.178  -0.120  1.00  0.00           C  
HETATM   26  C   UNL     1       0.054  -0.603   0.109  1.00  0.00           C  
HETATM   27  C   UNL     1       1.623  -1.171  -2.286  1.00  0.00           C  
HETATM   28  N   UNL     1       3.114   0.883  -3.144  1.00  0.00           N  
HETATM   29  N   UNL     1       1.788   2.805   2.081  1.00  0.00           N  
HETATM   30  O   UNL     1       3.124   1.947  -1.072  1.00  0.00           O  
HETATM   31  H   UNL     1       1.030   0.332   3.640  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.277   1.505   3.351  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.151   0.047   2.339  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.404  -2.229   0.437  1.00  0.00           H  
HETATM   35  H   UNL     1       1.332  -3.160   1.540  1.00  0.00           H  
HETATM   36  H   UNL     1       1.582  -3.142  -0.231  1.00  0.00           H  
HETATM   37  H   UNL     1       1.501  -0.994   2.774  1.00  0.00           H  
HETATM   38  H   UNL     1       3.135  -1.699   2.724  1.00  0.00           H  
HETATM   39  H   UNL     1       2.895   0.022   2.335  1.00  0.00           H  
HETATM   40  H   UNL     1       4.213  -0.715   0.122  1.00  0.00           H  
HETATM   41  H   UNL     1       4.123  -2.412   0.650  1.00  0.00           H  
HETATM   42  H   UNL     1       3.434  -1.931  -0.919  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.909  -1.275   0.154  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.910   0.098  -0.250  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.599   3.451  -1.049  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.517   2.197  -0.667  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.980   1.222  -0.385  1.00  0.00           H  
HETATM   48  H   UNL     1       2.845   0.148  -3.717  1.00  0.00           H  
HETATM   49  H   UNL     1       3.653   1.605  -3.502  1.00  0.00           H  
HETATM   50  H   UNL     1       1.631   3.379   2.848  1.00  0.00           H  
CONECT    1   30    2    2   28                                       
CONECT    2    3    1    1   27                                       
CONECT    3    4   26   17    2                                       
CONECT    4    7    7    5    3                                       
CONECT    5    8    8    4   30                                       
CONECT    6   27   27   27                                            
CONECT    7   29    9    4    4                                       
CONECT    8   29    5    5                                            
CONECT    9    7   31   32   33                                       
CONECT   10   26   26   16   13                                       
CONECT   11   14   25   25   12                                       
CONECT   12   11   16   16   34                                       
CONECT   13   17   10   35   36                                       
CONECT   14   24   24   20   11                                       
CONECT   15   16                                                      
CONECT   16   12   12   10   15                                       
CONECT   17   18    3   19   13                                       
CONECT   18   17   37   38   39                                       
CONECT   19   17   40   41   42                                       
CONECT   20   21   21   14   43                                       
CONECT   21   22   20   20   44                                       
CONECT   22   23   23   21                                            
CONECT   23   22   22   24   45                                       
CONECT   24   23   14   14   46                                       
CONECT   25   11   11   26   47                                       
CONECT   26   25    3   10   10                                       
CONECT   27    2    6    6    6                                       
CONECT   28    1   48   49                                            
CONECT   29    8    7   50                                            
CONECT   30    5    1                                                 
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
