COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.611   2.923  -1.144  1.00  0.00           C  
HETATM    2  N   UNL     1       9.122   1.958  -0.156  1.00  0.00           N  
HETATM    3  C   UNL     1       7.848   1.434  -0.273  1.00  0.00           C  
HETATM    4  N   UNL     1       7.433   0.571   0.634  1.00  0.00           N  
HETATM    5  N   UNL     1       7.087   1.824  -1.294  1.00  0.00           N  
HETATM    6  C   UNL     1       5.866   1.361  -1.460  1.00  0.00           C  
HETATM    7  C   UNL     1       5.367   0.433  -0.526  1.00  0.00           C  
HETATM    8  C   UNL     1       4.079  -0.106  -0.634  1.00  0.00           C  
HETATM    9  C   UNL     1       6.205   0.044   0.552  1.00  0.00           C  
HETATM   10  C   UNL     1       5.731  -0.877   1.500  1.00  0.00           C  
HETATM   11  C   UNL     1       4.477  -1.389   1.380  1.00  0.00           C  
HETATM   12  C   UNL     1       3.643  -1.015   0.314  1.00  0.00           C  
HETATM   13  C   UNL     1       2.281  -1.590   0.210  1.00  0.00           C  
HETATM   14  C   UNL     1       1.158  -0.764   0.340  1.00  0.00           C  
HETATM   15  N   UNL     1       1.313   0.596   0.566  1.00  0.00           N  
HETATM   16  C   UNL     1       2.114  -2.952  -0.022  1.00  0.00           C  
HETATM   17  C   UNL     1       3.322  -3.841  -0.168  1.00  0.00           C  
HETATM   18  C   UNL     1       0.845  -3.493  -0.120  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.269  -2.692   0.011  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.125  -1.320   0.239  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.317  -0.463   0.374  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.191   0.743   0.470  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.546  -1.015   0.390  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.682  -0.196   0.425  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.834  -0.577  -0.250  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.658   0.994   1.140  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.778   1.801   1.174  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.927   1.423   0.495  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.029   2.218   0.529  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.933   3.428   1.283  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.953   0.231  -0.215  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.204  -0.182  -0.948  1.00  0.00           C  
HETATM   33  F   UNL     1      -6.988  -1.409  -1.584  1.00  0.00           F  
HETATM   34  F   UNL     1      -8.258  -0.308  -0.037  1.00  0.00           F  
HETATM   35  F   UNL     1      -7.526   0.789  -1.903  1.00  0.00           F  
HETATM   36  H   UNL     1      10.627   3.222  -0.888  1.00  0.00           H  
HETATM   37  H   UNL     1       9.604   2.465  -2.133  1.00  0.00           H  
HETATM   38  H   UNL     1       8.964   3.801  -1.145  1.00  0.00           H  
HETATM   39  H   UNL     1       9.692   1.687   0.581  1.00  0.00           H  
HETATM   40  H   UNL     1       5.260   1.687  -2.293  1.00  0.00           H  
HETATM   41  H   UNL     1       3.432   0.186  -1.447  1.00  0.00           H  
HETATM   42  H   UNL     1       6.362  -1.178   2.323  1.00  0.00           H  
HETATM   43  H   UNL     1       4.119  -2.096   2.114  1.00  0.00           H  
HETATM   44  H   UNL     1       2.198   0.965   0.712  1.00  0.00           H  
HETATM   45  H   UNL     1       0.537   1.178   0.577  1.00  0.00           H  
HETATM   46  H   UNL     1       3.609  -4.228   0.809  1.00  0.00           H  
HETATM   47  H   UNL     1       3.083  -4.672  -0.832  1.00  0.00           H  
HETATM   48  H   UNL     1       4.148  -3.266  -0.588  1.00  0.00           H  
HETATM   49  H   UNL     1       0.726  -4.551  -0.300  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.256  -3.124  -0.067  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.645  -1.980   0.377  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.854  -1.504  -0.803  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.763   1.289   1.669  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.759   2.727   1.730  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.711   3.191   2.324  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.137   4.049   0.874  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.879   3.967   1.228  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    3   39                                            
CONECT    3    2    5    5    4                                       
CONECT    4    3    9    9                                            
CONECT    5    3    3    6                                            
CONECT    6    5    7    7   40                                       
CONECT    7    6    6    9    8                                       
CONECT    8    7   12   12   41                                       
CONECT    9    4    4    7   10                                       
CONECT   10    9   11   11   42                                       
CONECT   11   10   10   12   43                                       
CONECT   12    8    8   11   13                                       
CONECT   13   12   16   16   14                                       
CONECT   14   13   15   20   20                                       
CONECT   15   14   44   45                                            
CONECT   16   17   13   13   18                                       
CONECT   17   16   46   47   48                                       
CONECT   18   16   19   19   49                                       
CONECT   19   18   18   20   50                                       
CONECT   20   14   14   19   21                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   51                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24   31   52                                       
CONECT   26   24   27   27   53                                       
CONECT   27   26   26   28   54                                       
CONECT   28   31   31   27   29                                       
CONECT   29   28   30                                                 
CONECT   30   29   55   56   57                                       
CONECT   31   25   32   28   28                                       
CONECT   32   34   31   33   35                                       
CONECT   33   32                                                      
CONECT   34   32                                                      
CONECT   35   32                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
