COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.232  -2.212  -0.030  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.128  -3.556  -0.394  1.00  0.00           C  
HETATM    3  N   UNL     1       0.054  -4.116  -0.594  1.00  0.00           N  
HETATM    4  C   UNL     1       1.176  -3.437  -0.460  1.00  0.00           C  
HETATM    5  C   UNL     1       1.156  -2.091  -0.099  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.077  -1.463   0.121  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.451  -1.643   0.168  1.00  0.00           O  
HETATM    8  N   UNL     1      -2.284  -4.317  -0.547  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.472  -0.262   0.533  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.802   0.338   0.156  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.263  -0.130   2.043  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.908   1.702  -0.078  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.135   2.252  -0.426  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.247   1.441  -0.538  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.140   0.080  -0.303  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.916  -0.471   0.038  1.00  0.00           C  
HETATM   17  F   UNL     1      -7.229  -0.711  -0.412  1.00  0.00           F  
HETATM   18  N   UNL     1      -2.780   2.522   0.036  1.00  0.00           N  
HETATM   19  N   UNL     1      -1.502   2.270  -0.487  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.684   3.352  -0.135  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.389   4.226   0.559  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.705   3.761   0.690  1.00  0.00           N  
HETATM   23  C   UNL     1       2.419  -1.336   0.050  1.00  0.00           C  
HETATM   24  C   UNL     1       3.501  -1.727   0.756  1.00  0.00           C  
HETATM   25  N   UNL     1       4.501  -0.873   0.730  1.00  0.00           N  
HETATM   26  C   UNL     1       4.334   0.212   0.050  1.00  0.00           C  
HETATM   27  S   UNL     1       2.783   0.230  -0.670  1.00  0.00           S  
HETATM   28  C   UNL     1       3.559  -3.031   1.510  1.00  0.00           C  
HETATM   29  C   UNL     1       5.363   1.303  -0.094  1.00  0.00           C  
HETATM   30  C   UNL     1       6.625   0.732  -0.744  1.00  0.00           C  
HETATM   31  O   UNL     1       4.836   2.349  -0.914  1.00  0.00           O  
HETATM   32  C   UNL     1       5.709   1.864   1.286  1.00  0.00           C  
HETATM   33  O   UNL     1       7.641   1.736  -0.775  1.00  0.00           O  
HETATM   34  H   UNL     1       2.122  -3.929  -0.633  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.125  -0.421   0.401  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.154  -3.913  -0.402  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.220  -5.251  -0.800  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.674   0.264   0.009  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.301  -0.564   2.316  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.279   0.924   2.322  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.061  -0.656   2.568  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.219   3.313  -0.608  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.201   1.868  -0.808  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.833  -1.533   0.215  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.234   1.490  -0.997  1.00  0.00           H  
HETATM   46  H   UNL     1       0.360   3.455  -0.391  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.013   5.156   0.959  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.430   4.212   1.150  1.00  0.00           H  
HETATM   49  H   UNL     1       4.001  -3.799   0.875  1.00  0.00           H  
HETATM   50  H   UNL     1       4.168  -2.906   2.406  1.00  0.00           H  
HETATM   51  H   UNL     1       2.551  -3.331   1.794  1.00  0.00           H  
HETATM   52  H   UNL     1       6.976  -0.123  -0.166  1.00  0.00           H  
HETATM   53  H   UNL     1       6.397   0.413  -1.761  1.00  0.00           H  
HETATM   54  H   UNL     1       4.595   2.065  -1.807  1.00  0.00           H  
HETATM   55  H   UNL     1       6.111   1.067   1.912  1.00  0.00           H  
HETATM   56  H   UNL     1       6.453   2.653   1.182  1.00  0.00           H  
HETATM   57  H   UNL     1       4.810   2.271   1.749  1.00  0.00           H  
HETATM   58  H   UNL     1       8.471   1.443  -1.175  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3    8                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   34                                       
CONECT    5    4    6    6   23                                       
CONECT    6    1    5    5   35                                       
CONECT    7    1    9                                                 
CONECT    8    2   36   37                                            
CONECT    9    7   10   11   38                                       
CONECT   10    9   12   12   16                                       
CONECT   11    9   39   40   41                                       
CONECT   12   10   10   13   18                                       
CONECT   13   12   14   14   42                                       
CONECT   14   13   13   15   43                                       
CONECT   15   14   16   16   17                                       
CONECT   16   10   15   15   44                                       
CONECT   17   15                                                      
CONECT   18   12   19   22                                            
CONECT   19   18   20   45                                            
CONECT   20   19   21   21   46                                       
CONECT   21   20   20   22   47                                       
CONECT   22   18   21   48                                            
CONECT   23    5   24   24   27                                       
CONECT   24   23   23   25   28                                       
CONECT   25   24   26   26                                            
CONECT   26   25   25   27   29                                       
CONECT   27   23   26                                                 
CONECT   28   24   49   50   51                                       
CONECT   29   26   30   31   32                                       
CONECT   30   29   33   52   53                                       
CONECT   31   29   54                                                 
CONECT   32   29   55   56   57                                       
CONECT   33   30   58                                                 
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
