COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.140   0.055   0.478  1.00  0.00           C  
HETATM    2  C   UNL     1       2.074  -2.467  -0.848  1.00  0.00           C  
HETATM    3  C   UNL     1       4.730   0.604   0.760  1.00  0.00           C  
HETATM    4  C   UNL     1       5.379   1.416   1.895  1.00  0.00           C  
HETATM    5  C   UNL     1       3.110   1.135  -1.098  1.00  0.00           C  
HETATM    6  C   UNL     1       2.949   2.165  -1.982  1.00  0.00           C  
HETATM    7  C   UNL     1       3.950   3.104  -1.731  1.00  0.00           C  
HETATM    8  C   UNL     1       2.269  -0.078  -1.004  1.00  0.00           C  
HETATM    9  C   UNL     1       2.863  -1.338  -0.935  1.00  0.00           C  
HETATM   10  N   UNL     1       6.641   1.283   1.134  1.00  0.00           N  
HETATM   11  C   UNL     1       8.415   2.288   2.491  1.00  0.00           C  
HETATM   12  C   UNL     1       7.766   0.982   2.028  1.00  0.00           C  
HETATM   13  N   UNL     1       4.191   1.430  -0.323  1.00  0.00           N  
HETATM   14  N   UNL     1       4.690   2.671  -0.741  1.00  0.00           N  
HETATM   15  C   UNL     1       0.694  -2.354  -0.829  1.00  0.00           C  
HETATM   16  C   UNL     1       0.095  -1.110  -0.897  1.00  0.00           C  
HETATM   17  C   UNL     1       0.874   0.032  -0.985  1.00  0.00           C  
HETATM   18  O   UNL     1       0.286   1.255  -1.052  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.063   1.321  -0.920  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.870   1.395  -2.046  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.243   1.462  -1.910  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.824   1.455  -0.653  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.037   1.382   0.477  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.648   1.308   0.354  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.825   1.225   1.523  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.172   1.160   2.451  1.00  0.00           N  
HETATM   27  S   UNL     1      -5.577   1.541  -0.497  1.00  0.00           S  
HETATM   28  O   UNL     1      -5.839   2.062   0.799  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.057   2.146  -1.690  1.00  0.00           O  
HETATM   30  N   UNL     1      -6.146  -0.014  -0.500  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.816  -0.873   0.532  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.183  -2.129   0.678  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.745  -2.753   1.747  1.00  0.00           C  
HETATM   34  N   UNL     1      -4.988  -2.089   2.572  1.00  0.00           N  
HETATM   35  S   UNL     1      -4.829  -0.535   1.903  1.00  0.00           S  
HETATM   36  C   UNL     1       2.716  -3.828  -0.779  1.00  0.00           C  
HETATM   37  F   UNL     1       2.945  -4.169   0.558  1.00  0.00           F  
HETATM   38  F   UNL     1       1.867  -4.775  -1.363  1.00  0.00           F  
HETATM   39  F   UNL     1       3.933  -3.805  -1.469  1.00  0.00           F  
HETATM   40  H   UNL     1       6.373  -0.859   1.024  1.00  0.00           H  
HETATM   41  H   UNL     1       6.384  -0.007  -0.582  1.00  0.00           H  
HETATM   42  H   UNL     1       4.026  -0.153   1.109  1.00  0.00           H  
HETATM   43  H   UNL     1       5.015   2.440   1.966  1.00  0.00           H  
HETATM   44  H   UNL     1       5.389   0.899   2.855  1.00  0.00           H  
HETATM   45  H   UNL     1       2.183   2.240  -2.739  1.00  0.00           H  
HETATM   46  H   UNL     1       4.092   4.032  -2.264  1.00  0.00           H  
HETATM   47  H   UNL     1       3.939  -1.431  -0.949  1.00  0.00           H  
HETATM   48  H   UNL     1       7.678   2.890   3.024  1.00  0.00           H  
HETATM   49  H   UNL     1       9.250   2.064   3.155  1.00  0.00           H  
HETATM   50  H   UNL     1       8.778   2.841   1.625  1.00  0.00           H  
HETATM   51  H   UNL     1       7.404   0.429   2.895  1.00  0.00           H  
HETATM   52  H   UNL     1       8.503   0.380   1.496  1.00  0.00           H  
HETATM   53  H   UNL     1       0.083  -3.242  -0.761  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.982  -1.029  -0.882  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.424   1.402  -3.029  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.867   1.521  -2.790  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.495   1.378   1.455  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.711  -0.322  -1.226  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.004  -3.784   1.935  1.00  0.00           H  
CONECT    1    3   10   40   41                                       
CONECT    2    9    9   15   36                                       
CONECT    3    1    4   13   42                                       
CONECT    4    3   10   43   44                                       
CONECT    5    6    6    8   13                                       
CONECT    6    5    5    7   45                                       
CONECT    7    6   14   14   46                                       
CONECT    8    5    9   17   17                                       
CONECT    9    2    2    8   47                                       
CONECT   10    1    4   12                                            
CONECT   11   12   48   49   50                                       
CONECT   12   10   11   51   52                                       
CONECT   13    3    5   14                                            
CONECT   14    7    7   13                                            
CONECT   15    2   16   16   53                                       
CONECT   16   15   15   17   54                                       
CONECT   17    8    8   16   18                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   55                                       
CONECT   21   20   22   22   56                                       
CONECT   22   21   21   23   27                                       
CONECT   23   22   24   24   57                                       
CONECT   24   19   23   23   25                                       
CONECT   25   24   26   26   26                                       
CONECT   26   25   25   25                                            
CONECT   27   22   28   28   29                                       
CONECT   27   29   30                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27   31   58                                            
CONECT   31   30   32   32   35                                       
CONECT   32   31   31   33                                            
CONECT   33   32   34   34   59                                       
CONECT   34   33   33   35                                            
CONECT   35   31   34                                                 
CONECT   36    2   37   38   39                                       
CONECT   37   36                                                      
CONECT   38   36                                                      
CONECT   39   36                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   30                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
