COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.707  -0.115  -0.089  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.634  -0.972   1.007  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.784  -1.542   1.513  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.088  -0.412  -0.158  1.00  0.00           C  
HETATM    5  C   UNL     1       0.631  -0.259  -0.607  1.00  0.00           C  
HETATM    6  C   UNL     1       8.790  -0.804  -0.075  1.00  0.00           C  
HETATM    7  C   UNL     1       7.302  -1.044  -0.054  1.00  0.00           C  
HETATM    8  C   UNL     1       6.810  -2.293   0.276  1.00  0.00           C  
HETATM    9  C   UNL     1       5.447  -2.517   0.296  1.00  0.00           C  
HETATM   10  C   UNL     1       6.433  -0.012  -0.360  1.00  0.00           C  
HETATM   11  C   UNL     1       5.069  -0.229  -0.342  1.00  0.00           C  
HETATM   12  C   UNL     1       4.571  -1.484  -0.016  1.00  0.00           C  
HETATM   13  C   UNL     1       2.151  -0.150  -0.460  1.00  0.00           C  
HETATM   14  C   UNL     1       1.992   2.129   0.270  1.00  0.00           C  
HETATM   15  C   UNL     1       2.405   3.071   1.402  1.00  0.00           C  
HETATM   16  C   UNL     1       0.466   2.111   0.152  1.00  0.00           C  
HETATM   17  C   UNL     1       0.058   1.121  -0.943  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.189   0.255  -0.241  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.472   0.501  -0.636  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.010  -1.264   0.932  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.942   0.158  -0.673  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.425  -0.113  -0.785  1.00  0.00           C  
HETATM   23  F   UNL     1      -8.135  -1.820   1.433  1.00  0.00           F  
HETATM   24  N   UNL     1      -1.404   1.041  -1.012  1.00  0.00           N  
HETATM   25  N   UNL     1      -3.393   1.413  -1.622  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.156   1.707  -1.815  1.00  0.00           N  
HETATM   27  O   UNL     1       2.462   0.810   0.552  1.00  0.00           O  
HETATM   28  O   UNL     1       3.830   3.177   1.438  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.105   1.707   1.398  1.00  0.00           O  
HETATM   30  O   UNL     1       0.318  -1.176  -1.658  1.00  0.00           O  
HETATM   31  S   UNL     1       2.831  -1.765   0.007  1.00  0.00           S  
HETATM   32  H   UNL     1      -3.678  -1.190   1.460  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.728  -2.206   2.363  1.00  0.00           H  
HETATM   34  H   UNL     1       0.199  -0.615   0.328  1.00  0.00           H  
HETATM   35  H   UNL     1       9.179  -1.020  -1.070  1.00  0.00           H  
HETATM   36  H   UNL     1       8.994   0.237   0.176  1.00  0.00           H  
HETATM   37  H   UNL     1       9.273  -1.455   0.653  1.00  0.00           H  
HETATM   38  H   UNL     1       7.491  -3.095   0.518  1.00  0.00           H  
HETATM   39  H   UNL     1       5.063  -3.493   0.553  1.00  0.00           H  
HETATM   40  H   UNL     1       6.821   0.963  -0.613  1.00  0.00           H  
HETATM   41  H   UNL     1       4.391   0.577  -0.581  1.00  0.00           H  
HETATM   42  H   UNL     1       2.586   0.168  -1.408  1.00  0.00           H  
HETATM   43  H   UNL     1       2.425   2.477  -0.668  1.00  0.00           H  
HETATM   44  H   UNL     1       1.972   4.057   1.232  1.00  0.00           H  
HETATM   45  H   UNL     1       2.046   2.676   2.353  1.00  0.00           H  
HETATM   46  H   UNL     1       0.109   3.108  -0.106  1.00  0.00           H  
HETATM   47  H   UNL     1       0.450   1.455  -1.903  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.867  -0.425   0.534  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.003   0.822  -1.523  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.866   0.759  -0.303  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.290   0.088  -1.848  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.086  -0.971  -0.659  1.00  0.00           H  
HETATM   53  H   UNL     1       4.164   3.760   2.134  1.00  0.00           H  
HETATM   54  H   UNL     1       0.117   2.288   2.139  1.00  0.00           H  
HETATM   55  H   UNL     1       0.654  -2.071  -1.512  1.00  0.00           H  
CONECT    1   19   21   21    2                                       
CONECT    2    1    3    3   32                                       
CONECT    3    2    2   20   33                                       
CONECT    4   21   22   20   20                                       
CONECT    5   30   13   17   34                                       
CONECT    6    7   35   36   37                                       
CONECT    7    6    8    8   10                                       
CONECT    8    7    7    9   38                                       
CONECT    9    8   12   12   39                                       
CONECT   10    7   11   11   40                                       
CONECT   11   10   10   12   41                                       
CONECT   12    9    9   11   31                                       
CONECT   13   31    5   27   42                                       
CONECT   14   27   16   15   43                                       
CONECT   15   14   28   44   45                                       
CONECT   16   17   14   29   46                                       
CONECT   17    5   24   16   47                                       
CONECT   18   24   19   19   48                                       
CONECT   19   25   18   18    1                                       
CONECT   20    4    4    3   23                                       
CONECT   21    1    1    4   49                                       
CONECT   22    4   50   51   52                                       
CONECT   23   20                                                      
CONECT   24   26   17   18                                            
CONECT   25   26   26   19                                            
CONECT   26   25   25   24                                            
CONECT   27   13   14                                                 
CONECT   28   15   53                                                 
CONECT   29   16   54                                                 
CONECT   30    5   55                                                 
CONECT   31   12   13                                                 
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
