COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.805   4.062   1.877  1.00  0.00           C  
HETATM    2  C   UNL     1       0.176   2.678   1.708  1.00  0.00           C  
HETATM    3  C   UNL     1       0.494   2.141   0.312  1.00  0.00           C  
HETATM    4  N   UNL     1       1.944   1.952   0.178  1.00  0.00           N1+
HETATM    5  C   UNL     1       2.263   1.571  -1.205  1.00  0.00           C  
HETATM    6  C   UNL     1       1.866   2.706  -2.151  1.00  0.00           C  
HETATM    7  C   UNL     1       3.765   1.307  -1.328  1.00  0.00           C  
HETATM    8  C   UNL     1       4.131   0.097  -0.507  1.00  0.00           C  
HETATM    9  O   UNL     1       3.262  -0.563   0.022  1.00  0.00           O  
HETATM   10  N   UNL     1       5.425  -0.251  -0.360  1.00  0.00           N  
HETATM   11  C   UNL     1       5.781  -1.427   0.438  1.00  0.00           C  
HETATM   12  C   UNL     1       7.301  -1.598   0.443  1.00  0.00           C  
HETATM   13  N   UNL     1       7.659  -2.777   1.243  1.00  0.00           N1+
HETATM   14  C   UNL     1      -0.206   0.821   0.110  1.00  0.00           C  
HETATM   15  C   UNL     1       0.418  -0.355   0.484  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.220  -1.568   0.301  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.485  -1.608  -0.257  1.00  0.00           C  
HETATM   18 CL   UNL     1      -2.285  -3.132  -0.486  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -2.114  -0.430  -0.633  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.358  -0.467  -1.181  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.426  -0.394  -0.345  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.715  -0.428  -0.859  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.799  -0.354  -0.007  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.602  -0.247   1.358  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.319  -0.213   1.873  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.231  -0.292   1.025  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.473   0.787  -0.443  1.00  0.00           C  
HETATM   28  F   UNL     1      -2.085   1.937  -0.803  1.00  0.00           F  
HETATM   29  H   UNL     1       0.149   2.852  -0.439  1.00  0.00           H  
HETATM   30  H   UNL     1       2.418   2.812   0.407  1.00  0.00           H  
HETATM   31  H   UNL     1       2.248   1.223   0.806  1.00  0.00           H  
HETATM   32  H   UNL     1       1.713   0.668  -1.469  1.00  0.00           H  
HETATM   33  H   UNL     1       7.331  -2.654   2.190  1.00  0.00           H  
HETATM   34  H   UNL     1       7.229  -3.598   0.843  1.00  0.00           H  
HETATM   35  H   UNL     1       8.661  -2.891   1.247  1.00  0.00           H  
HETATM   36  H   UNL     1       1.892   3.973   1.851  1.00  0.00           H  
HETATM   37  H   UNL     1       0.475   4.713   1.068  1.00  0.00           H  
HETATM   38  H   UNL     1       0.499   4.487   2.833  1.00  0.00           H  
HETATM   39  H   UNL     1       0.582   2.001   2.459  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.904   2.753   1.832  1.00  0.00           H  
HETATM   41  H   UNL     1       2.062   2.406  -3.180  1.00  0.00           H  
HETATM   42  H   UNL     1       0.804   2.923  -2.032  1.00  0.00           H  
HETATM   43  H   UNL     1       2.448   3.596  -1.915  1.00  0.00           H  
HETATM   44  H   UNL     1       4.018   1.127  -2.372  1.00  0.00           H  
HETATM   45  H   UNL     1       4.317   2.174  -0.964  1.00  0.00           H  
HETATM   46  H   UNL     1       6.120   0.277  -0.783  1.00  0.00           H  
HETATM   47  H   UNL     1       5.427  -1.293   1.460  1.00  0.00           H  
HETATM   48  H   UNL     1       5.317  -2.313   0.006  1.00  0.00           H  
HETATM   49  H   UNL     1       7.656  -1.732  -0.579  1.00  0.00           H  
HETATM   50  H   UNL     1       7.766  -0.712   0.875  1.00  0.00           H  
HETATM   51  H   UNL     1       1.406  -0.326   0.919  1.00  0.00           H  
HETATM   52  H   UNL     1       0.270  -2.485   0.594  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.870  -0.512  -1.924  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.802  -0.380  -0.406  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.451  -0.189   2.022  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.168  -0.128   2.939  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.229  -0.270   1.428  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    3   39   40                                       
CONECT    3    2    4   14   29                                       
CONECT    4    3    5   30   31                                       
CONECT    5    4    6    7   32                                       
CONECT    6    5   41   42   43                                       
CONECT    7    5    8   44   45                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   46                                            
CONECT   11   10   12   47   48                                       
CONECT   12   11   13   49   50                                       
CONECT   13   12   33   34   35                                       
CONECT   14    3   15   15   27                                       
CONECT   15   14   14   16   51                                       
CONECT   16   15   17   17   52                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17                                                      
CONECT   19   17   20   27   27                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   53                                       
CONECT   23   22   24   24   54                                       
CONECT   24   23   23   25   55                                       
CONECT   25   24   26   26   56                                       
CONECT   26   21   25   25   57                                       
CONECT   27   14   19   19   28                                       
CONECT   28   27                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
