COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.216  -1.512   0.415  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.535   2.266   0.046  1.00  0.00           N  
HETATM    3  C   UNL     1       0.327  -4.370  -1.260  1.00  0.00           C  
HETATM    4  C   UNL     1       0.870  -3.387  -0.403  1.00  0.00           C  
HETATM    5  C   UNL     1       0.017  -2.433   0.154  1.00  0.00           C  
HETATM    6  C   UNL     1       2.249  -3.192   0.017  1.00  0.00           C  
HETATM    7  C   UNL     1       2.441  -2.173   0.831  1.00  0.00           C  
HETATM    8  C   UNL     1       4.450  -0.798   0.468  1.00  0.00           C  
HETATM    9  C   UNL     1       5.666   1.002  -1.242  1.00  0.00           C  
HETATM   10  C   UNL     1       4.242   0.559   0.631  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.130  -0.790  -0.257  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.563   0.430   3.220  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.412  -0.862  -1.736  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.840   0.993   0.370  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.993   4.586  -0.577  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.354  -2.467  -0.142  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.856  -3.441  -0.983  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.005  -4.384  -1.541  1.00  0.00           C  
HETATM   19  S   UNL     1       0.940  -1.335   1.173  1.00  0.00           S  
HETATM   20  C   UNL     1       3.782  -1.779   1.396  1.00  0.00           C  
HETATM   21  C   UNL     1       5.266  -1.255  -0.550  1.00  0.00           C  
HETATM   22  C   UNL     1       5.874  -0.355  -1.405  1.00  0.00           C  
HETATM   23  C   UNL     1       4.850   1.459  -0.224  1.00  0.00           C  
HETATM   24  C   UNL     1       4.622   2.938  -0.047  1.00  0.00           C  
HETATM   25  F   UNL     1       3.351   3.153   0.497  1.00  0.00           F  
HETATM   26  F   UNL     1       5.593   3.460   0.815  1.00  0.00           F  
HETATM   27  F   UNL     1       4.711   3.576  -1.290  1.00  0.00           F  
HETATM   28  C   UNL     1      -3.763   0.028   0.658  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.186  -0.233   1.921  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.265  -1.144   1.765  1.00  0.00           N  
HETATM   31  O   UNL     1      -4.509  -1.748  -1.969  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.003   0.641   0.425  1.00  0.00           O  
HETATM   33  C   UNL     1      -5.605   3.225  -0.240  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.243   4.484  -1.789  1.00  0.00           O  
HETATM   35  H   UNL     1      -3.608   2.546   0.002  1.00  0.00           H  
HETATM   36  H   UNL     1       0.975  -5.114  -1.699  1.00  0.00           H  
HETATM   37  H   UNL     1       3.053  -3.833  -0.312  1.00  0.00           H  
HETATM   38  H   UNL     1       6.141   1.705  -1.910  1.00  0.00           H  
HETATM   39  H   UNL     1       3.603   0.916   1.426  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.356  -0.141   3.703  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.693   0.468   3.875  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.914   1.443   3.023  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.663   0.132  -2.106  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.529  -1.232  -2.257  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.788   5.321  -0.703  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.334   4.899   0.233  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.911  -3.463  -1.214  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.405  -5.143  -2.198  1.00  0.00           H  
HETATM   49  H   UNL     1       3.642  -1.318   2.374  1.00  0.00           H  
HETATM   50  H   UNL     1       4.407  -2.666   1.499  1.00  0.00           H  
HETATM   51  H   UNL     1       5.429  -2.315  -0.677  1.00  0.00           H  
HETATM   52  H   UNL     1       6.512  -0.712  -2.200  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.747  -1.842  -2.902  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.194   2.871  -1.086  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.249   3.322   0.635  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.826   5.311  -2.065  1.00  0.00           H  
CONECT    1   11   16   30                                            
CONECT    2   33   14   35                                            
CONECT    3   18    4    4   36                                       
CONECT    4    3    3    5    6                                       
CONECT    5   16   16    4   19                                       
CONECT    6    4    7    7   37                                       
CONECT    7    6    6   19   20                                       
CONECT    8   20   10   10   21                                       
CONECT    9   23   23   22   38                                       
CONECT   10    8    8   23   39                                       
CONECT   11   13   28   28    1                                       
CONECT   12   29   40   41   42                                       
CONECT   13   31   11   43   44                                       
CONECT   14    2   32   32   28                                       
CONECT   15   33   34   45   46                                       
CONECT   16   17    1    5    5                                       
CONECT   17   18   18   16   47                                       
CONECT   18   17   17    3   48                                       
CONECT   19    5    7                                                 
CONECT   20    7    8   49   50                                       
CONECT   21    8   22   22   51                                       
CONECT   22   21   21    9   52                                       
CONECT   23   10   24    9    9                                       
CONECT   24   25   23   26   27                                       
CONECT   25   24                                                      
CONECT   26   24                                                      
CONECT   27   24                                                      
CONECT   28   14   11   11   29                                       
CONECT   29   28   30   30   12                                       
CONECT   30    1   29   29                                            
CONECT   31   13   53                                                 
CONECT   32   14   14                                                 
CONECT   33   15    2   54   55                                       
CONECT   34   15   56                                                 
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    6                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   31                                                      
CONECT   54   33                                                      
CONECT   55   33                                                      
CONECT   56   34                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
