COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.628   0.914  -0.083  1.00  0.00           N  
HETATM    2  N   UNL     1       1.609   1.234  -0.112  1.00  0.00           N  
HETATM    3  C   UNL     1       5.284   0.743  -0.081  1.00  0.00           C  
HETATM    4  C   UNL     1       6.643  -2.670   0.085  1.00  0.00           C  
HETATM    5  C   UNL     1       3.958   1.406  -0.115  1.00  0.00           C  
HETATM    6  C   UNL     1       3.864   2.801  -0.181  1.00  0.00           C  
HETATM    7  C   UNL     1       2.607   3.373  -0.212  1.00  0.00           C  
HETATM    8  C   UNL     1       2.789   0.649  -0.082  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.304   3.906   1.222  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.535   2.141   0.551  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.444  -2.006  -1.120  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.877   2.341  -0.068  1.00  0.00           C  
HETATM   13  C   UNL     1       6.549  -1.168   0.013  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.244   2.968   0.014  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.284   1.888   0.165  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.518   3.765  -1.263  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.008  -0.221   0.094  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.844  -2.622  -1.082  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.636  -1.166  -0.658  1.00  0.00           C  
HETATM   20  C   UNL     1       7.703  -0.405  -0.020  1.00  0.00           C  
HETATM   21  C   UNL     1       6.451   1.509  -0.114  1.00  0.00           C  
HETATM   22  C   UNL     1       1.485   2.551  -0.175  1.00  0.00           C  
HETATM   23  F   UNL     1       6.118  -3.227  -1.086  1.00  0.00           F  
HETATM   24  F   UNL     1       7.983  -3.048   0.221  1.00  0.00           F  
HETATM   25  F   UNL     1       5.914  -3.131   1.187  1.00  0.00           F  
HETATM   26  N   UNL     1       5.366  -0.582  -0.017  1.00  0.00           N  
HETATM   27  N   UNL     1       0.215   3.120  -0.206  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.029   0.614  -0.073  1.00  0.00           N  
HETATM   29  N   UNL     1      -3.927  -1.590  -0.108  1.00  0.00           N  
HETATM   30  O   UNL     1      -5.711  -2.180   1.439  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.801  -3.861  -0.131  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.758   1.136  -0.009  1.00  0.00           O  
HETATM   33  S   UNL     1      -5.410   0.613   0.605  1.00  0.00           S  
HETATM   34  S   UNL     1      -5.257  -2.544   0.143  1.00  0.00           S  
HETATM   35  H   UNL     1       4.752   3.415  -0.208  1.00  0.00           H  
HETATM   36  H   UNL     1       2.496   4.446  -0.263  1.00  0.00           H  
HETATM   37  H   UNL     1       2.851  -0.428  -0.030  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.552   4.687   1.113  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.294   4.359   1.282  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.109   3.339   2.132  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.940   3.112   0.791  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.019  -1.781  -2.099  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.766   4.546  -1.372  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.476   3.097  -2.123  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.507   4.218  -1.204  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.340  -2.802  -2.036  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.052  -3.351  -0.299  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.708  -0.937   0.405  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.996  -0.389  -1.332  1.00  0.00           H  
HETATM   50  H   UNL     1       8.669  -0.888   0.005  1.00  0.00           H  
HETATM   51  H   UNL     1       6.390   2.586  -0.165  1.00  0.00           H  
HETATM   52  H   UNL     1       0.115   4.078  -0.326  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.091  -1.989  -0.395  1.00  0.00           H  
CONECT    1   20   21   21                                            
CONECT    2   22    8    8                                            
CONECT    3   26   26   21    5                                       
CONECT    4   25   23   13   24                                       
CONECT    5    3    6    6    8                                       
CONECT    6    5    5    7   35                                       
CONECT    7    6   22   22   36                                       
CONECT    8    5    2    2   37                                       
CONECT    9   14   38   39   40                                       
CONECT   10   33   15   15   41                                       
CONECT   11   19   18   34   42                                       
CONECT   12   32   32   14   27                                       
CONECT   13    4   20   20   26                                       
CONECT   14   15    9   12   16                                       
CONECT   15   10   10   28   14                                       
CONECT   16   14   43   44   45                                       
CONECT   17   33   29   28   28                                       
CONECT   18   19   11   46   47                                       
CONECT   19   18   11   48   49                                       
CONECT   20   13   13    1   50                                       
CONECT   21    1    1    3   51                                       
CONECT   22    7    7   27    2                                       
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    4                                                      
CONECT   26   13    3    3                                            
CONECT   27   12   22   52                                            
CONECT   28   17   17   15                                            
CONECT   29   34   17   53                                            
CONECT   30   34   34                                                 
CONECT   31   34   34                                                 
CONECT   32   12   12                                                 
CONECT   33   10   17                                                 
CONECT   34   11   30   30   31                                       
CONECT   34   31   29                                                 
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   27                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
