COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.562  -1.483   0.389  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.974   0.946  -0.049  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.949   1.158   1.128  1.00  0.00           C  
HETATM    4  N   UNL     1       0.875  -0.832   0.453  1.00  0.00           N  
HETATM    5  C   UNL     1       0.467   0.407   0.221  1.00  0.00           C  
HETATM    6  C   UNL     1       2.775   1.094   0.075  1.00  0.00           C  
HETATM    7  C   UNL     1       3.196  -0.078  -0.513  1.00  0.00           C  
HETATM    8  C   UNL     1       4.564  -0.390  -0.528  1.00  0.00           C  
HETATM    9  C   UNL     1       5.038  -1.577  -1.119  1.00  0.00           C  
HETATM   10  C   UNL     1       6.383  -1.816  -1.097  1.00  0.00           C  
HETATM   11  C   UNL     1       7.242  -0.897  -0.501  1.00  0.00           C  
HETATM   12  C   UNL     1       5.494   0.503   0.062  1.00  0.00           C  
HETATM   13  C   UNL     1       5.028   1.690   0.654  1.00  0.00           C  
HETATM   14  C   UNL     1       3.698   1.972   0.655  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.347  -1.544   0.483  1.00  0.00           C  
HETATM   16  F   UNL     1      -4.313   1.073  -2.455  1.00  0.00           F  
HETATM   17  C   UNL     1      -4.925   0.706  -1.252  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.100   1.658  -0.915  1.00  0.00           C  
HETATM   19  N   UNL     1      -6.241   1.579   0.555  1.00  0.00           N  
HETATM   20  N   UNL     1      -3.126  -0.226   0.186  1.00  0.00           N  
HETATM   21  O   UNL     1      -4.730  -1.826   0.404  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.745  -0.223   0.238  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.510  -2.306   0.566  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.577  -3.748   0.813  1.00  0.00           C  
HETATM   25  C   UNL     1       0.005  -1.824   0.582  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.817   0.716   0.114  1.00  0.00           N  
HETATM   27  N   UNL     1       1.414   1.412   0.087  1.00  0.00           N  
HETATM   28  C   UNL     1       3.211   3.247   1.293  1.00  0.00           C  
HETATM   29  N   UNL     1       6.798   0.207   0.049  1.00  0.00           N  
HETATM   30  H   UNL     1      -3.365   1.835  -0.211  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.074   0.227   1.679  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.567   1.936   1.790  1.00  0.00           H  
HETATM   33  H   UNL     1       2.480  -0.752  -0.959  1.00  0.00           H  
HETATM   34  H   UNL     1       4.357  -2.279  -1.576  1.00  0.00           H  
HETATM   35  H   UNL     1       6.779  -2.718  -1.541  1.00  0.00           H  
HETATM   36  H   UNL     1       8.303  -1.099  -0.491  1.00  0.00           H  
HETATM   37  H   UNL     1       5.726   2.379   1.106  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.259  -0.331  -1.285  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.863   2.677  -1.219  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.015   1.318  -1.402  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.535   2.464   0.938  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.637  -3.930   1.886  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.461  -4.159   0.326  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.685  -4.228   0.412  1.00  0.00           H  
HETATM   45  H   UNL     1       0.345  -2.832   0.771  1.00  0.00           H  
HETATM   46  H   UNL     1       1.131   2.336   0.002  1.00  0.00           H  
HETATM   47  H   UNL     1       3.195   4.043   0.548  1.00  0.00           H  
HETATM   48  H   UNL     1       2.205   3.096   1.684  1.00  0.00           H  
HETATM   49  H   UNL     1       3.879   3.525   2.107  1.00  0.00           H  
CONECT    1   23   20   21   21                                       
CONECT    2   17   20    3   30                                       
CONECT    3    2   19   31   32                                       
CONECT    4   25   25    5                                            
CONECT    5    4   27   26   26                                       
CONECT    6   14   27    7    7                                       
CONECT    7    6    6    8   33                                       
CONECT    8   12    7    9    9                                       
CONECT    9    8    8   10   34                                       
CONECT   10   11   11    9   35                                       
CONECT   11   29   10   10   36                                       
CONECT   12   13   29   29    8                                       
CONECT   13   14   14   12   37                                       
CONECT   14   28   13   13    6                                       
CONECT   15   25   22   22   23                                       
CONECT   16   17                                                      
CONECT   17   16    2   18   38                                       
CONECT   18   17   19   39   40                                       
CONECT   19   18    3   41                                            
CONECT   20   22    1    2                                            
CONECT   21    1    1                                                 
CONECT   22   15   15   26   20                                       
CONECT   23   15   24    1                                            
CONECT   24   23   42   43   44                                       
CONECT   25    4    4   15   45                                       
CONECT   26    5    5   22                                            
CONECT   27    5    6   46                                            
CONECT   28   14   47   48   49                                       
CONECT   29   12   12   11                                            
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
