COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.779   1.382  -0.560  1.00  0.00           N  
HETATM    2  C   UNL     1       3.820   0.518   0.141  1.00  0.00           C  
HETATM    3  C   UNL     1       2.438   0.750  -0.412  1.00  0.00           C  
HETATM    4  O   UNL     1       2.191   1.772  -1.017  1.00  0.00           O  
HETATM    5  C   UNL     1       3.834   0.846   1.635  1.00  0.00           C  
HETATM    6  C   UNL     1       5.181   0.498   2.213  1.00  0.00           C  
HETATM    7  C   UNL     1       5.410  -0.768   2.720  1.00  0.00           C  
HETATM    8  C   UNL     1       6.191   1.442   2.232  1.00  0.00           C  
HETATM    9  C   UNL     1       6.646  -1.087   3.251  1.00  0.00           C  
HETATM   10  C   UNL     1       7.427   1.122   2.763  1.00  0.00           C  
HETATM   11  C   UNL     1       7.653  -0.141   3.274  1.00  0.00           C  
HETATM   12  N   UNL     1       1.476  -0.177  -0.233  1.00  0.00           N  
HETATM   13  C   UNL     1       0.132   0.049  -0.771  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.869  -0.745   0.029  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.496  -1.433   0.956  1.00  0.00           O  
HETATM   16  C   UNL     1       0.086  -0.397  -2.233  1.00  0.00           C  
HETATM   17  C   UNL     1       0.996   0.479  -3.055  1.00  0.00           C  
HETATM   18  C   UNL     1       0.507   1.638  -3.628  1.00  0.00           C  
HETATM   19  C   UNL     1       2.321   0.127  -3.230  1.00  0.00           C  
HETATM   20  C   UNL     1       1.342   2.442  -4.382  1.00  0.00           C  
HETATM   21  C   UNL     1       3.156   0.931  -3.984  1.00  0.00           C  
HETATM   22  C   UNL     1       2.666   2.087  -4.561  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.178  -0.692  -0.287  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.151  -1.464   0.490  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.527  -0.803   0.386  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.482   0.575   1.049  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.858   1.236   0.945  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.815   2.555   1.579  1.00  0.00           N  
HETATM   29  C   UNL     1      -6.943   3.341   1.609  1.00  0.00           C  
HETATM   30  N   UNL     1      -8.051   2.911   1.072  1.00  0.00           N  
HETATM   31  N   UNL     1      -6.903   4.579   2.204  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.226  -2.890  -0.060  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.175  -3.643   0.698  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.850  -3.551   0.044  1.00  0.00           C  
HETATM   35 CL   UNL     1      -1.903  -5.175  -0.737  1.00  0.00          Cl  
HETATM   36  H   UNL     1       4.543   2.356  -0.440  1.00  0.00           H  
HETATM   37  H   UNL     1       5.723   1.199  -0.252  1.00  0.00           H  
HETATM   38  H   UNL     1       4.099  -0.526  -0.004  1.00  0.00           H  
HETATM   39  H   UNL     1       3.643   1.910   1.775  1.00  0.00           H  
HETATM   40  H   UNL     1       3.061   0.269   2.141  1.00  0.00           H  
HETATM   41  H   UNL     1       4.622  -1.507   2.702  1.00  0.00           H  
HETATM   42  H   UNL     1       6.014   2.430   1.832  1.00  0.00           H  
HETATM   43  H   UNL     1       6.824  -2.076   3.647  1.00  0.00           H  
HETATM   44  H   UNL     1       8.215   1.860   2.777  1.00  0.00           H  
HETATM   45  H   UNL     1       8.619  -0.391   3.689  1.00  0.00           H  
HETATM   46  H   UNL     1       1.674  -0.994   0.251  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.112   1.110  -0.706  1.00  0.00           H  
HETATM   48  H   UNL     1       0.415  -1.433  -2.308  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.935  -0.312  -2.607  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.527   1.916  -3.488  1.00  0.00           H  
HETATM   51  H   UNL     1       2.704  -0.776  -2.778  1.00  0.00           H  
HETATM   52  H   UNL     1       0.960   3.347  -4.830  1.00  0.00           H  
HETATM   53  H   UNL     1       4.191   0.656  -4.121  1.00  0.00           H  
HETATM   54  H   UNL     1       3.318   2.715  -5.150  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.476  -0.142  -1.028  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.840  -1.494   1.535  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.798  -0.693  -0.664  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.267  -1.425   0.890  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.210   0.465   2.099  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.741   1.196   0.545  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.129   1.346  -0.105  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.598   0.614   1.448  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.991   2.875   1.978  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.079   2.037   0.652  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.079   4.899   2.603  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.699   5.134   2.225  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.537  -2.860  -1.104  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.962  -3.711   1.639  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.110  -2.929  -0.459  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.579  -3.661   1.094  1.00  0.00           H  
CONECT    1    2   36   37                                            
CONECT    2    5    1    3   38                                       
CONECT    3    2   12    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    2   39   40                                       
CONECT    6    7    5    8    8                                       
CONECT    7    9    9    6   41                                       
CONECT    8    6    6   10   42                                       
CONECT    9    7    7   11   43                                       
CONECT   10   11   11    8   44                                       
CONECT   11    9   10   10   45                                       
CONECT   12    3   13   46                                            
CONECT   13   12   16   14   47                                       
CONECT   14   15   15   13   23                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   48   49                                       
CONECT   17   18   16   19   19                                       
CONECT   18   20   20   17   50                                       
CONECT   19   17   17   21   51                                       
CONECT   20   18   18   22   52                                       
CONECT   21   22   22   19   53                                       
CONECT   22   20   21   21   54                                       
CONECT   23   14   24   55                                            
CONECT   24   23   32   25   56                                       
CONECT   25   24   26   57   58                                       
CONECT   26   27   25   59   60                                       
CONECT   27   28   26   61   62                                       
CONECT   28   29   27   63                                            
CONECT   29   30   30   31   28                                       
CONECT   30   29   29   64                                            
CONECT   31   29   65   66                                            
CONECT   32   24   34   33   67                                       
CONECT   33   32   68                                                 
CONECT   34   32   35   69   70                                       
CONECT   35   34                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
