COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.410  -2.769  -1.848  1.00  0.00           C  
HETATM    2  C   UNL     1       3.191  -2.708  -0.484  1.00  0.00           C  
HETATM    3  C   UNL     1       1.960  -3.062   0.034  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.395  -3.862  -0.245  1.00  0.00           C  
HETATM    5  C   UNL     1       4.296  -2.257   0.437  1.00  0.00           C  
HETATM    6  C   UNL     1       4.905   1.354  -0.451  1.00  0.00           C  
HETATM    7  C   UNL     1       3.726  -0.131   1.588  1.00  0.00           C  
HETATM    8  C   UNL     1       3.725   1.266   1.658  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.035   0.644   0.456  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.387  -1.597   0.344  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.914  -0.362  -0.103  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.230   2.073  -0.504  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.510  -0.579   0.890  1.00  0.00           C  
HETATM   14  C   UNL     1       0.947  -3.476  -0.811  1.00  0.00           C  
HETATM   15  C   UNL     1       1.166  -3.536  -2.174  1.00  0.00           C  
HETATM   16  C   UNL     1       2.396  -3.177  -2.693  1.00  0.00           C  
HETATM   17  O   UNL     1       5.553  -2.711  -0.069  1.00  0.00           O  
HETATM   18  C   UNL     1       4.889  -0.011  -0.500  1.00  0.00           C  
HETATM   19  C   UNL     1       4.300  -0.753   0.517  1.00  0.00           C  
HETATM   20  C   UNL     1       4.327   2.016   0.629  1.00  0.00           C  
HETATM   21  C   UNL     1       3.209   2.233   2.622  1.00  0.00           C  
HETATM   22  N   UNL     1       3.509   3.425   2.189  1.00  0.00           N  
HETATM   23  N   UNL     1       4.186   3.336   0.969  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.259  -2.681  -0.188  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.735   0.757  -0.041  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.516  -2.787   0.287  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.933  -3.864   0.668  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.693  -1.705   0.837  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.779  -0.683   1.369  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.158  -2.903   1.273  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.052   3.197  -0.444  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.579   4.419  -0.876  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.289   4.529  -1.369  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.469   3.414  -1.431  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.932   2.190  -0.996  1.00  0.00           C  
HETATM   36  F   UNL     1      -1.829   5.727  -1.791  1.00  0.00           F  
HETATM   37  C   UNL     1       4.669   4.473   0.180  1.00  0.00           C  
HETATM   38  H   UNL     1       4.373  -2.493  -2.253  1.00  0.00           H  
HETATM   39  H   UNL     1       1.789  -3.015   1.100  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.854  -4.618  -0.883  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.264  -4.266   0.759  1.00  0.00           H  
HETATM   42  H   UNL     1       4.132  -2.674   1.431  1.00  0.00           H  
HETATM   43  H   UNL     1       5.370   1.918  -1.246  1.00  0.00           H  
HETATM   44  H   UNL     1       3.267  -0.714   2.372  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.672   1.515   0.499  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.910  -0.275  -0.492  1.00  0.00           H  
HETATM   47  H   UNL     1       0.374  -3.859  -2.834  1.00  0.00           H  
HETATM   48  H   UNL     1       2.567  -3.224  -3.759  1.00  0.00           H  
HETATM   49  H   UNL     1       5.765  -2.379  -0.952  1.00  0.00           H  
HETATM   50  H   UNL     1       5.338  -0.521  -1.339  1.00  0.00           H  
HETATM   51  H   UNL     1       2.685   2.002   3.537  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.927  -1.822  -0.492  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.439  -0.888   0.693  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.001  -3.068   2.212  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.058   3.112  -0.059  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.214   5.291  -0.829  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.464   3.505  -1.817  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.292   1.321  -1.045  1.00  0.00           H  
HETATM   59  H   UNL     1       3.891   4.788  -0.516  1.00  0.00           H  
HETATM   60  H   UNL     1       4.916   5.299   0.847  1.00  0.00           H  
HETATM   61  H   UNL     1       5.558   4.177  -0.377  1.00  0.00           H  
CONECT    1   16   16    2   38                                       
CONECT    2    1    5    3    3                                       
CONECT    3    2    2   14   39                                       
CONECT    4   14   24   40   41                                       
CONECT    5    2   17   19   42                                       
CONECT    6   18   20   20   43                                       
CONECT    7   19    8    8   44                                       
CONECT    8    7    7   20   21                                       
CONECT    9   25   13   13   45                                       
CONECT   10   11   26   28   28                                       
CONECT   11   25   25   10   46                                       
CONECT   12   35   35   31   25                                       
CONECT   13    9    9   28   29                                       
CONECT   14   15   15    3    4                                       
CONECT   15   16   14   14   47                                       
CONECT   16    1    1   15   48                                       
CONECT   17    5   49                                                 
CONECT   18   19   19    6   50                                       
CONECT   19    5   18   18    7                                       
CONECT   20    6    6    8   23                                       
CONECT   21    8   22   22   51                                       
CONECT   22   21   21   23                                            
CONECT   23   20   22   37                                            
CONECT   24   26    4   52                                            
CONECT   25   12   11   11    9                                       
CONECT   26   10   27   27   24                                       
CONECT   27   26   26                                                 
CONECT   28   10   10   13   30                                       
CONECT   29   13   53                                                 
CONECT   30   28   54                                                 
CONECT   31   32   32   12   55                                       
CONECT   32   33   31   31   56                                       
CONECT   33   36   34   34   32                                       
CONECT   34   33   33   35   57                                       
CONECT   35   34   12   12   58                                       
CONECT   36   33                                                      
CONECT   37   23   59   60   61                                       
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   21                                                      
CONECT   52   24                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   37                                                      
CONECT   60   37                                                      
CONECT   61   37                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
