COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.906  -1.724  -1.025  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.184   0.146   0.559  1.00  0.00           C  
HETATM    3  C   UNL     1       3.894   2.037  -2.783  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.840  -1.013   0.196  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.201  -1.950  -0.599  1.00  0.00           C  
HETATM    6  C   UNL     1       3.010   1.789  -1.588  1.00  0.00           C  
HETATM    7  N   UNL     1       2.237   2.706  -0.976  1.00  0.00           N  
HETATM    8  C   UNL     1       1.568   2.140   0.070  1.00  0.00           C  
HETATM    9  C   UNL     1       1.904   0.840   0.147  1.00  0.00           C  
HETATM   10  C   UNL     1       2.851   0.592  -0.945  1.00  0.00           C  
HETATM   11  C   UNL     1       3.501  -0.686  -1.281  1.00  0.00           C  
HETATM   12  O   UNL     1       4.272  -0.748  -2.219  1.00  0.00           O  
HETATM   13  N   UNL     1       3.241  -1.787  -0.548  1.00  0.00           N  
HETATM   14  C   UNL     1       3.671  -3.193  -0.561  1.00  0.00           C  
HETATM   15  C   UNL     1       3.394  -3.235   0.949  1.00  0.00           C  
HETATM   16  C   UNL     1       2.735  -4.529   1.430  1.00  0.00           C  
HETATM   17  C   UNL     1       2.408  -2.108   0.621  1.00  0.00           C  
HETATM   18  C   UNL     1       4.533  -2.817   1.783  1.00  0.00           C  
HETATM   19  N   UNL     1       5.411  -2.494   2.426  1.00  0.00           N  
HETATM   20  S   UNL     1       0.449   2.976   1.144  1.00  0.00           S  
HETATM   21  O   UNL     1       0.422   2.231   2.354  1.00  0.00           O  
HETATM   22  O   UNL     1       0.791   4.353   1.086  1.00  0.00           O  
HETATM   23  N   UNL     1      -1.062   2.840   0.478  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.694   1.525   0.358  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.430   0.950  -1.039  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.969  -0.372  -1.092  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.243  -0.557  -0.659  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.887   0.379   0.133  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.208   1.661   0.544  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.252  -1.259   0.664  1.00  0.00           C  
HETATM   31  F   UNL     1      -5.842  -3.084  -0.958  1.00  0.00           F  
HETATM   32  H   UNL     1      -3.405  -2.457  -1.640  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.685   0.875   1.179  1.00  0.00           H  
HETATM   34  H   UNL     1       4.887   2.335  -2.444  1.00  0.00           H  
HETATM   35  H   UNL     1       3.971   1.125  -3.374  1.00  0.00           H  
HETATM   36  H   UNL     1       3.466   2.831  -3.394  1.00  0.00           H  
HETATM   37  H   UNL     1       2.165   3.636  -1.242  1.00  0.00           H  
HETATM   38  H   UNL     1       1.545   0.120   0.868  1.00  0.00           H  
HETATM   39  H   UNL     1       3.014  -3.842  -1.140  1.00  0.00           H  
HETATM   40  H   UNL     1       4.723  -3.323  -0.813  1.00  0.00           H  
HETATM   41  H   UNL     1       3.384  -5.374   1.201  1.00  0.00           H  
HETATM   42  H   UNL     1       2.575  -4.476   2.507  1.00  0.00           H  
HETATM   43  H   UNL     1       1.777  -4.658   0.926  1.00  0.00           H  
HETATM   44  H   UNL     1       2.389  -1.318   1.372  1.00  0.00           H  
HETATM   45  H   UNL     1       1.412  -2.466   0.359  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.528   3.633   0.168  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.290   0.852   1.115  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.915   1.573  -1.791  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.357   0.916  -1.226  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.427   1.868   1.591  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.576   2.480  -0.073  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.952  -0.850  -0.064  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.419  -2.331   0.767  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.405  -0.773   1.628  1.00  0.00           H  
CONECT    1    5    5   27   32                                       
CONECT    2    4    4   28   33                                       
CONECT    3    6   34   35   36                                       
CONECT    4    2    2    5   30                                       
CONECT    5    1    1    4   31                                       
CONECT    6    3    7   10   10                                       
CONECT    7    6    8   37                                            
CONECT    8    7    9    9   20                                       
CONECT    9    8    8   10   38                                       
CONECT   10    6    6    9   11                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   17                                            
CONECT   14   13   15   39   40                                       
CONECT   15   14   16   17   18                                       
CONECT   16   15   41   42   43                                       
CONECT   17   13   15   44   45                                       
CONECT   18   15   19   19   19                                       
CONECT   19   18   18   18                                            
CONECT   20    8   21   21   22                                       
CONECT   20   22   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   24   46                                            
CONECT   24   23   25   29   47                                       
CONECT   25   24   26   48   49                                       
CONECT   26   25   27                                                 
CONECT   27    1   26   28   28                                       
CONECT   28    2   27   27   29                                       
CONECT   29   24   28   50   51                                       
CONECT   30    4   52   53   54                                       
CONECT   31    5                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
