COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.891  -0.566   0.064  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.238   0.661  -0.007  1.00  0.00           C  
HETATM    3  C   UNL     1       1.157   0.689   0.049  1.00  0.00           C  
HETATM    4  C   UNL     1       1.838  -0.525   0.177  1.00  0.00           C  
HETATM    5  C   UNL     1       1.116  -1.702   0.241  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.200  -1.694   0.190  1.00  0.00           N  
HETATM    7  C   UNL     1       1.897   1.973  -0.024  1.00  0.00           C  
HETATM    8  C   UNL     1       1.758   2.918   0.990  1.00  0.00           C  
HETATM    9  C   UNL     1       2.449   4.111   0.917  1.00  0.00           C  
HETATM   10  C   UNL     1       3.276   4.369  -0.160  1.00  0.00           C  
HETATM   11  C   UNL     1       3.418   3.434  -1.170  1.00  0.00           C  
HETATM   12  C   UNL     1       2.737   2.235  -1.104  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.024   1.940  -0.145  1.00  0.00           C  
HETATM   14  C   UNL     1       1.845  -3.013   0.378  1.00  0.00           C  
HETATM   15  C   UNL     1       3.344  -0.551   0.242  1.00  0.00           C  
HETATM   16  C   UNL     1       3.780  -0.884   1.645  1.00  0.00           C  
HETATM   17  O   UNL     1       3.843  -1.541  -0.660  1.00  0.00           O  
HETATM   18  O   UNL     1       4.372  -1.914   1.866  1.00  0.00           O  
HETATM   19  O   UNL     1       3.511  -0.036   2.651  1.00  0.00           O  
HETATM   20  C   UNL     1       5.132  -1.240  -1.197  1.00  0.00           C  
HETATM   21  C   UNL     1       5.069   0.080  -1.967  1.00  0.00           C  
HETATM   22  C   UNL     1       6.144  -1.117  -0.056  1.00  0.00           C  
HETATM   23  C   UNL     1       5.564  -2.362  -2.144  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.369  -0.614   0.006  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.116  -1.758  -0.071  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.443  -1.378  -0.106  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.449   0.028  -0.048  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.158   0.431   0.024  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.642  -2.073  -0.180  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.669   0.712  -0.066  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.835  -1.384  -0.197  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.848   0.004  -0.140  1.00  0.00           C  
HETATM   33 CL   UNL     1      -8.362   0.853  -0.162  1.00  0.00          Cl  
HETATM   34  H   UNL     1       1.111   2.718   1.832  1.00  0.00           H  
HETATM   35  H   UNL     1       2.342   4.845   1.703  1.00  0.00           H  
HETATM   36  H   UNL     1       3.814   5.304  -0.214  1.00  0.00           H  
HETATM   37  H   UNL     1       4.069   3.639  -2.007  1.00  0.00           H  
HETATM   38  H   UNL     1       2.848   1.506  -1.893  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.358   2.268   0.839  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.392   2.709  -0.589  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.890   1.767  -0.784  1.00  0.00           H  
HETATM   42  H   UNL     1       2.089  -3.186   1.426  1.00  0.00           H  
HETATM   43  H   UNL     1       1.210  -3.821   0.015  1.00  0.00           H  
HETATM   44  H   UNL     1       2.763  -2.981  -0.208  1.00  0.00           H  
HETATM   45  H   UNL     1       3.736   0.426  -0.038  1.00  0.00           H  
HETATM   46  H   UNL     1       3.811  -0.293   3.534  1.00  0.00           H  
HETATM   47  H   UNL     1       4.761   0.879  -1.293  1.00  0.00           H  
HETATM   48  H   UNL     1       6.052   0.310  -2.377  1.00  0.00           H  
HETATM   49  H   UNL     1       4.348  -0.007  -2.780  1.00  0.00           H  
HETATM   50  H   UNL     1       6.190  -2.058   0.492  1.00  0.00           H  
HETATM   51  H   UNL     1       7.128  -0.888  -0.466  1.00  0.00           H  
HETATM   52  H   UNL     1       5.837  -0.318   0.618  1.00  0.00           H  
HETATM   53  H   UNL     1       4.843  -2.450  -2.956  1.00  0.00           H  
HETATM   54  H   UNL     1       6.548  -2.133  -2.554  1.00  0.00           H  
HETATM   55  H   UNL     1       5.610  -3.303  -1.595  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.777  -2.667  -0.095  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.640  -3.152  -0.225  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.687   1.791  -0.021  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.767  -1.926  -0.255  1.00  0.00           H  
CONECT    1    2    2    6   24                                       
CONECT    2    3   13    1    1                                       
CONECT    3    7    4    4    2                                       
CONECT    4   15    3    3    5                                       
CONECT    5    4   14    6    6                                       
CONECT    6    5    5    1                                            
CONECT    7   12    3    8    8                                       
CONECT    8    7    7    9   34                                       
CONECT    9   10   10    8   35                                       
CONECT   10   11    9    9   36                                       
CONECT   11   12   12   10   37                                       
CONECT   12   11   11    7   38                                       
CONECT   13    2   39   40   41                                       
CONECT   14    5   42   43   44                                       
CONECT   15   16    4   17   45                                       
CONECT   16   18   18   19   15                                       
CONECT   17   15   20                                                 
CONECT   18   16   16                                                 
CONECT   19   16   46                                                 
CONECT   20   17   23   22   21                                       
CONECT   21   20   47   48   49                                       
CONECT   22   20   50   51   52                                       
CONECT   23   20   53   54   55                                       
CONECT   24   25    1   28   28                                       
CONECT   25   26   24   56                                            
CONECT   26   25   29   29   27                                       
CONECT   27   26   28   30   30                                       
CONECT   28   24   24   27                                            
CONECT   29   26   26   31   57                                       
CONECT   30   27   27   32   58                                       
CONECT   31   29   32   32   59                                       
CONECT   32   31   31   30   33                                       
CONECT   33   32                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
