COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.142   4.935   2.338  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.541   3.640   2.403  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.444   2.945   1.239  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.871   1.682   1.231  1.00  0.00           C  
HETATM    5 CL   UNL     1      -2.279   0.988   2.707  1.00  0.00          Cl  
HETATM    6  C   UNL     1      -3.923   3.498   0.060  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.825   2.790  -1.128  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.295   3.332  -2.283  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.876   4.635  -2.198  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.248   1.528  -1.139  1.00  0.00           C  
HETATM   11 CL   UNL     1      -3.126   0.642  -2.627  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -2.773   0.973   0.041  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.190  -0.301   0.031  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.867  -0.444  -0.168  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.196   0.556  -0.336  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.016  -1.503   0.244  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.300  -2.830   0.216  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.958  -4.022   0.401  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.256  -5.149   0.361  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.948  -5.127   0.148  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.255  -6.324   0.115  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.967  -7.589   0.312  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.283  -3.995  -0.034  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.922  -2.832  -0.007  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.252  -1.634  -0.188  1.00  0.00           N  
HETATM   26  C   UNL     1       1.195  -1.670  -0.413  1.00  0.00           C  
HETATM   27  C   UNL     1       1.933  -0.727   0.570  1.00  0.00           C  
HETATM   28  C   UNL     1       1.560  -1.040  -1.783  1.00  0.00           C  
HETATM   29  C   UNL     1       3.005  -0.545  -1.562  1.00  0.00           C  
HETATM   30  N   UNL     1       3.194  -0.383  -0.113  1.00  0.00           N  
HETATM   31  C   UNL     1       4.331   0.016   0.492  1.00  0.00           C  
HETATM   32  O   UNL     1       4.372   0.116   1.703  1.00  0.00           O  
HETATM   33  C   UNL     1       5.521   0.329  -0.314  1.00  0.00           C  
HETATM   34  C   UNL     1       6.643   0.722   0.283  1.00  0.00           C  
HETATM   35  C   UNL     1       7.862   1.043  -0.542  1.00  0.00           C  
HETATM   36  N   UNL     1       8.324   2.401  -0.226  1.00  0.00           N  
HETATM   37  C   UNL     1       8.808   2.483   1.159  1.00  0.00           C  
HETATM   38  C   UNL     1       9.359   2.839  -1.172  1.00  0.00           C  
HETATM   39  H   UNL     1      -3.565   5.570   1.665  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.162   4.844   1.965  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.157   5.379   3.333  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.372   4.480   0.068  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.728   4.609  -1.519  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.135   5.340  -1.824  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.210   4.949  -3.187  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.509  -1.406   1.212  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.790  -1.521  -0.524  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.024  -4.042   0.575  1.00  0.00           H  
HETATM   49  H   UNL     1       0.703  -6.326  -0.040  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.727  -7.703  -0.461  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.261  -8.417   0.252  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.444  -7.588   1.293  1.00  0.00           H  
HETATM   53  H   UNL     1       1.575  -2.688  -0.338  1.00  0.00           H  
HETATM   54  H   UNL     1       1.342   0.171   0.750  1.00  0.00           H  
HETATM   55  H   UNL     1       2.138  -1.242   1.508  1.00  0.00           H  
HETATM   56  H   UNL     1       1.526  -1.789  -2.574  1.00  0.00           H  
HETATM   57  H   UNL     1       0.896  -0.207  -2.014  1.00  0.00           H  
HETATM   58  H   UNL     1       3.712  -1.280  -1.947  1.00  0.00           H  
HETATM   59  H   UNL     1       3.151   0.410  -2.066  1.00  0.00           H  
HETATM   60  H   UNL     1       5.484   0.240  -1.389  1.00  0.00           H  
HETATM   61  H   UNL     1       6.680   0.811   1.358  1.00  0.00           H  
HETATM   62  H   UNL     1       8.653   0.328  -0.315  1.00  0.00           H  
HETATM   63  H   UNL     1       7.611   0.982  -1.601  1.00  0.00           H  
HETATM   64  H   UNL     1       9.638   1.791   1.295  1.00  0.00           H  
HETATM   65  H   UNL     1       9.143   3.499   1.367  1.00  0.00           H  
HETATM   66  H   UNL     1       8.000   2.221   1.842  1.00  0.00           H  
HETATM   67  H   UNL     1       8.953   2.835  -2.183  1.00  0.00           H  
HETATM   68  H   UNL     1       9.684   3.847  -0.915  1.00  0.00           H  
HETATM   69  H   UNL     1      10.210   2.159  -1.120  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3                                                 
CONECT    3    6    2    4    4                                       
CONECT    4    3    3   12    5                                       
CONECT    5    4                                                      
CONECT    6    7    7    3   42                                       
CONECT    7    8    6    6   10                                       
CONECT    8    9    7                                                 
CONECT    9    8   43   44   45                                       
CONECT   10    7   11   12   12                                       
CONECT   11   10                                                      
CONECT   12   10   10    4   13                                       
CONECT   13   12   14   16                                            
CONECT   14   15   15   13   25                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   46   47                                       
CONECT   17   16   24   24   18                                       
CONECT   18   17   19   19   48                                       
CONECT   19   18   18   20                                            
CONECT   20   23   23   19   21                                       
CONECT   21   20   22   49                                            
CONECT   22   21   50   51   52                                       
CONECT   23   24   20   20                                            
CONECT   24   25   17   17   23                                       
CONECT   25   14   26   24                                            
CONECT   26   27   25   28   53                                       
CONECT   27   30   26   54   55                                       
CONECT   28   26   29   56   57                                       
CONECT   29   30   28   58   59                                       
CONECT   30   31   27   29                                            
CONECT   31   32   32   30   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   34   60                                       
CONECT   34   33   33   35   61                                       
CONECT   35   34   36   62   63                                       
CONECT   36   35   38   37                                            
CONECT   37   36   64   65   66                                       
CONECT   38   36   67   68   69                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    6                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
