COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.553  -0.569   0.125  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.665  -1.061   0.139  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.360  -1.440   0.076  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.508  -2.828   0.046  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.389  -3.646  -0.001  1.00  0.00           C  
HETATM    6  C   UNL     1       0.882  -3.090  -0.017  1.00  0.00           C  
HETATM    7  C   UNL     1       1.038  -1.702   0.014  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.086  -0.876   0.055  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.542  -5.035  -0.031  1.00  0.00           N  
HETATM   10  C   UNL     1       0.639  -5.901  -0.080  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.883  -5.625  -0.013  1.00  0.00           C  
HETATM   12  C   UNL     1       2.388  -1.111  -0.003  1.00  0.00           C  
HETATM   13  C   UNL     1       2.538   0.223   0.027  1.00  0.00           C  
HETATM   14  C   UNL     1       3.887   0.814   0.010  1.00  0.00           C  
HETATM   15  C   UNL     1       4.045   2.203   0.041  1.00  0.00           C  
HETATM   16  C   UNL     1       5.309   2.750   0.026  1.00  0.00           C  
HETATM   17  C   UNL     1       6.426   1.925  -0.020  1.00  0.00           C  
HETATM   18  C   UNL     1       6.274   0.545  -0.051  1.00  0.00           C  
HETATM   19  C   UNL     1       5.014  -0.012  -0.030  1.00  0.00           C  
HETATM   20  C   UNL     1       5.481   4.247   0.059  1.00  0.00           C  
HETATM   21  C   UNL     1       7.489  -0.345  -0.101  1.00  0.00           C  
HETATM   22  O   UNL     1       7.670   2.470  -0.041  1.00  0.00           O  
HETATM   23  S   UNL     1      -2.365   1.183   0.156  1.00  0.00           S  
HETATM   24  H   UNL     1      -2.496  -3.265   0.059  1.00  0.00           H  
HETATM   25  H   UNL     1       1.751  -3.730  -0.053  1.00  0.00           H  
HETATM   26  H   UNL     1       0.032   0.197   0.078  1.00  0.00           H  
HETATM   27  H   UNL     1       0.956  -6.141   0.935  1.00  0.00           H  
HETATM   28  H   UNL     1       0.393  -6.821  -0.610  1.00  0.00           H  
HETATM   29  H   UNL     1       1.446  -5.386  -0.600  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.443  -5.279  -0.881  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.802  -6.711  -0.041  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.401  -5.322   0.897  1.00  0.00           H  
HETATM   33  H   UNL     1       3.258  -1.751  -0.039  1.00  0.00           H  
HETATM   34  H   UNL     1       1.668   0.863   0.063  1.00  0.00           H  
HETATM   35  H   UNL     1       3.178   2.845   0.076  1.00  0.00           H  
HETATM   36  H   UNL     1       4.897  -1.086  -0.054  1.00  0.00           H  
HETATM   37  H   UNL     1       5.545   4.583   1.094  1.00  0.00           H  
HETATM   38  H   UNL     1       6.395   4.520  -0.469  1.00  0.00           H  
HETATM   39  H   UNL     1       4.627   4.722  -0.424  1.00  0.00           H  
HETATM   40  H   UNL     1       7.806  -0.584   0.914  1.00  0.00           H  
HETATM   41  H   UNL     1       7.245  -1.264  -0.632  1.00  0.00           H  
HETATM   42  H   UNL     1       8.296   0.172  -0.621  1.00  0.00           H  
HETATM   43  H   UNL     1       8.006   2.650  -0.929  1.00  0.00           H  
HETATM   44  C   UNL     1      -4.054   1.674   0.047  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.773   1.954   1.202  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.096   2.339   1.114  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.706   2.446  -0.124  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.992   2.167  -1.277  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.667   1.787  -1.194  1.00  0.00           C  
HETATM   50  F   UNL     1      -8.001   2.823  -0.208  1.00  0.00           F  
HETATM   51  H   UNL     1      -4.297   1.870   2.168  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.655   2.557   2.012  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.470   2.250  -2.242  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.109   1.569  -2.093  1.00  0.00           H  
CONECT    1    3    2    2   23                                       
CONECT    2    1    1                                                 
CONECT    3    8    8    4    1                                       
CONECT    4    5    5    3   24                                       
CONECT    5    6    9    4    4                                       
CONECT    6    7    7    5   25                                       
CONECT    7   12    6    6    8                                       
CONECT    8    7    3    3   26                                       
CONECT    9    5   10   11                                            
CONECT   10    9   27   28   29                                       
CONECT   11    9   30   31   32                                       
CONECT   12   13   13    7   33                                       
CONECT   13   14   12   12   34                                       
CONECT   14   19   19   15   13                                       
CONECT   15   16   16   14   35                                       
CONECT   16   17   20   15   15                                       
CONECT   17   22   18   18   16                                       
CONECT   18   21   17   17   19                                       
CONECT   19   18   14   14   36                                       
CONECT   20   16   37   38   39                                       
CONECT   21   18   40   41   42                                       
CONECT   22   17   43                                                 
CONECT   23    1   44                                                 
CONECT   24    4                                                      
CONECT   25    6                                                      
CONECT   26    8                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23   45   49   49                                       
CONECT   45   44   46   46   51                                       
CONECT   46   45   45   47   52                                       
CONECT   47   46   48   48   50                                       
CONECT   48   47   47   49   53                                       
CONECT   49   48   44   44   54                                       
CONECT   50   47                                                      
CONECT   51   45                                                      
CONECT   52   46                                                      
CONECT   53   48                                                      
CONECT   54   49                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
