COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       3.179   0.538   0.022  1.00  0.00           C  
HETATM    2  C   UNL     1       3.513  -0.807   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       4.815  -1.187  -0.296  1.00  0.00           C  
HETATM    4  N   UNL     1       5.751  -0.306  -0.560  1.00  0.00           N  
HETATM    5  C   UNL     1       5.500   1.008  -0.557  1.00  0.00           C  
HETATM    6  C   UNL     1       4.197   1.478  -0.264  1.00  0.00           C  
HETATM    7  C   UNL     1       3.940   2.856  -0.263  1.00  0.00           C  
HETATM    8  C   UNL     1       4.947   3.730  -0.544  1.00  0.00           C  
HETATM    9  C   UNL     1       6.230   3.271  -0.833  1.00  0.00           C  
HETATM   10  C   UNL     1       6.513   1.939  -0.842  1.00  0.00           C  
HETATM   11  C   UNL     1       5.163  -2.654  -0.316  1.00  0.00           C  
HETATM   12  N   UNL     1       1.886   0.949   0.310  1.00  0.00           N  
HETATM   13  C   UNL     1       0.931   0.401  -0.664  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.469   0.941  -0.359  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.847   0.570   1.012  1.00  0.00           N  
HETATM   16  C   UNL     1       0.109   1.117   1.985  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.216   1.005   1.316  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.661   0.481   2.698  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.074   0.079   2.578  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.526   0.352   1.197  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.231   0.343   0.348  1.00  0.00           C  
HETATM   22  C   UNL     1       1.508   0.578   1.680  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.468  -0.728   0.730  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.281  -0.504  -0.321  1.00  0.00           N  
HETATM   25  C   UNL     1      -6.294   0.771  -1.053  1.00  0.00           C  
HETATM   26  S   UNL     1      -7.641   0.596  -2.287  1.00  0.00           S  
HETATM   27  C   UNL     1      -8.462  -0.809  -1.424  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.211  -1.514  -0.823  1.00  0.00           C  
HETATM   29  F   UNL     1       4.962  -3.163  -1.604  1.00  0.00           F  
HETATM   30  F   UNL     1       6.504  -2.819   0.047  1.00  0.00           F  
HETATM   31  F   UNL     1       4.346  -3.339   0.589  1.00  0.00           F  
HETATM   32  O   UNL     1      -5.494  -1.798   1.300  1.00  0.00           O  
HETATM   33  H   UNL     1       2.764  -1.556   0.214  1.00  0.00           H  
HETATM   34  H   UNL     1       2.949   3.223  -0.041  1.00  0.00           H  
HETATM   35  H   UNL     1       4.748   4.791  -0.543  1.00  0.00           H  
HETATM   36  H   UNL     1       7.012   3.982  -1.053  1.00  0.00           H  
HETATM   37  H   UNL     1       7.514   1.600  -1.067  1.00  0.00           H  
HETATM   38  H   UNL     1       1.225   0.700  -1.670  1.00  0.00           H  
HETATM   39  H   UNL     1       0.924  -0.687  -0.594  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.469   2.027  -0.455  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.184   0.513  -1.062  1.00  0.00           H  
HETATM   42  H   UNL     1       0.115   2.205   1.915  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.186   0.819   2.991  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.292   2.092   1.273  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.053  -0.378   2.982  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.562   1.271   3.443  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.194  -0.896   2.812  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.009   1.328   1.142  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.353   0.938  -0.557  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.931  -0.677   0.105  1.00  0.00           H  
HETATM   51  H   UNL     1       1.508  -0.508   1.776  1.00  0.00           H  
HETATM   52  H   UNL     1       2.223   1.005   2.383  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.508   1.596  -0.373  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.339   0.930  -1.554  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.137  -0.457  -0.644  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.981  -1.459  -2.129  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.720  -2.109  -1.593  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.518  -2.164  -0.004  1.00  0.00           H  
CONECT    1    2    2    6   12                                       
CONECT    2    1    1    3   33                                       
CONECT    3    2    4    4   11                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    6   10                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8    8   34                                       
CONECT    8    7    7    9   35                                       
CONECT    9    8   10   10   36                                       
CONECT   10    5    9    9   37                                       
CONECT   11    3   29   30   31                                       
CONECT   12    1   13   22                                            
CONECT   13   12   14   38   39                                       
CONECT   14   13   15   40   41                                       
CONECT   15   14   16   17                                            
CONECT   16   15   22   42   43                                       
CONECT   17   15   18   21   44                                       
CONECT   18   17   19   45   46                                       
CONECT   19   18   20   47                                            
CONECT   20   19   21   23   48                                       
CONECT   21   17   20   49   50                                       
CONECT   22   12   16   51   52                                       
CONECT   23   20   24   32   32                                       
CONECT   24   23   25   28                                            
CONECT   25   24   26   53   54                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   55   56                                       
CONECT   28   24   27   57   58                                       
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   23   23                                                 
CONECT   33    2                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
