COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.675  -1.495   1.533  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.627   2.245   1.045  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.381   2.676  -0.228  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.739  -2.251   1.079  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.799  -2.193  -1.092  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.786  -1.153  -0.727  1.00  0.00           C  
HETATM    7  C   UNL     1       0.585  -1.808  -0.475  1.00  0.00           C  
HETATM    8  C   UNL     1       0.279  -0.079   1.144  1.00  0.00           C  
HETATM    9  C   UNL     1       2.435  -0.629   0.393  1.00  0.00           C  
HETATM   10  C   UNL     1       4.592  -1.000  -0.330  1.00  0.00           C  
HETATM   11  C   UNL     1       3.842   1.191   0.250  1.00  0.00           C  
HETATM   12  C   UNL     1       2.963   3.314   0.853  1.00  0.00           C  
HETATM   13  F   UNL     1       6.085   0.843  -0.489  1.00  0.00           F  
HETATM   14  C   UNL     1       4.863   0.350  -0.194  1.00  0.00           C  
HETATM   15  C   UNL     1       5.661  -1.947  -0.812  1.00  0.00           C  
HETATM   16  N   UNL     1       3.382  -1.451  -0.032  1.00  0.00           N  
HETATM   17  O   UNL     1       4.060   2.522   0.393  1.00  0.00           O  
HETATM   18  N   UNL     1       2.654   0.671   0.531  1.00  0.00           N  
HETATM   19  N   UNL     1       1.184  -1.139   0.694  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.822  -2.591  -2.238  1.00  0.00           O  
HETATM   21  N   UNL     1      -2.688  -2.702  -0.230  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.616  -3.744  -0.675  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.749  -2.530   1.852  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.122  -0.482   0.622  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.042   0.700   0.458  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.874   1.150   1.403  1.00  0.00           C  
HETATM   27  S   UNL     1      -2.159   1.644  -0.959  1.00  0.00           S  
HETATM   28  C   UNL     1      -4.017   3.790  -0.865  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.521   4.673  -1.370  1.00  0.00           N  
HETATM   30  H   UNL     1      -4.338   2.718   1.706  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.708  -0.409  -1.520  1.00  0.00           H  
HETATM   32  H   UNL     1       0.455  -2.870  -0.268  1.00  0.00           H  
HETATM   33  H   UNL     1       1.224  -1.676  -1.348  1.00  0.00           H  
HETATM   34  H   UNL     1       0.278  -0.020   2.233  1.00  0.00           H  
HETATM   35  H   UNL     1       0.574   0.878   0.713  1.00  0.00           H  
HETATM   36  H   UNL     1       2.134   3.227   0.151  1.00  0.00           H  
HETATM   37  H   UNL     1       2.647   2.962   1.835  1.00  0.00           H  
HETATM   38  H   UNL     1       3.273   4.357   0.923  1.00  0.00           H  
HETATM   39  H   UNL     1       5.621  -2.018  -1.899  1.00  0.00           H  
HETATM   40  H   UNL     1       6.640  -1.575  -0.508  1.00  0.00           H  
HETATM   41  H   UNL     1       5.496  -2.933  -0.377  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.260  -4.036   0.155  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.227  -3.362  -1.493  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.051  -4.611  -1.018  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.486  -3.063   1.513  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.950   0.688   2.376  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.309  -1.625   2.422  1.00  0.00           H  
CONECT    1   24    4   47                                            
CONECT    2   26    3    3   30                                       
CONECT    3    2    2   28   27                                       
CONECT    4    1   21   23   23                                       
CONECT    5    6   20   20   21                                       
CONECT    6   24    7    5   31                                       
CONECT    7   19    6   32   33                                       
CONECT    8   19   24   34   35                                       
CONECT    9   18   19   16   16                                       
CONECT   10   14   14   16   15                                       
CONECT   11   17   18   18   14                                       
CONECT   12   17   36   37   38                                       
CONECT   13   14                                                      
CONECT   14   11   13   10   10                                       
CONECT   15   10   39   40   41                                       
CONECT   16    9    9   10                                            
CONECT   17   12   11                                                 
CONECT   18   11   11    9                                            
CONECT   19    8    9    7                                            
CONECT   20    5    5                                                 
CONECT   21    5    4   22                                            
CONECT   22   21   42   43   44                                       
CONECT   23    4    4   45                                            
CONECT   24    8   25    6    1                                       
CONECT   25   26   26   27   24                                       
CONECT   26    2   25   25   46                                       
CONECT   27    3   25                                                 
CONECT   28    3   29   29   29                                       
CONECT   29   28   28   28                                            
CONECT   30    2                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   26                                                      
CONECT   47    1                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
