COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.312   0.089   0.328  1.00  0.00           C  
HETATM    2  C   UNL     1       6.421   1.046  -0.026  1.00  0.00           C  
HETATM    3  C   UNL     1       5.820   2.353  -0.548  1.00  0.00           C  
HETATM    4  C   UNL     1       4.935   2.975   0.535  1.00  0.00           C  
HETATM    5  C   UNL     1       7.263   1.333   1.218  1.00  0.00           C  
HETATM    6  C   UNL     1       8.389   2.305   0.859  1.00  0.00           C  
HETATM    7  C   UNL     1       3.470  -1.272  -0.316  1.00  0.00           C  
HETATM    8  C   UNL     1       2.218  -1.218  -0.915  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.385  -1.434  -0.903  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.309  -0.658   0.039  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.795   1.544   0.922  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.153   1.603   0.271  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.521   2.702  -0.444  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.772   2.777  -1.053  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.662   1.752  -0.949  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.206  -0.480  -0.093  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.533  -1.582   1.208  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.043   0.522   0.396  1.00  0.00           C  
HETATM   19  C   UNL     1       3.764  -2.293   0.579  1.00  0.00           C  
HETATM   20  O   UNL     1       5.206  -0.323   1.463  1.00  0.00           O  
HETATM   21  C   UNL     1       7.292   0.434  -1.092  1.00  0.00           C  
HETATM   22  O   UNL     1       7.039  -0.667  -1.520  1.00  0.00           O  
HETATM   23  N   UNL     1       4.435  -0.305  -0.617  1.00  0.00           N  
HETATM   24  C   UNL     1       2.811  -3.250   0.870  1.00  0.00           C  
HETATM   25  C   UNL     1       1.566  -3.192   0.271  1.00  0.00           C  
HETATM   26  C   UNL     1       1.268  -2.174  -0.616  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.090  -2.115  -1.266  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.999  -1.320  -0.430  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.576   0.087  -0.383  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.499   0.863   0.559  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.886   0.749   0.086  1.00  0.00           N  
HETATM   32  N   UNL     1      -5.707  -0.571   1.088  1.00  0.00           N  
HETATM   33  C   UNL     1      -7.797  -1.569   0.622  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.317   0.604  -0.220  1.00  0.00           C  
HETATM   35  H   UNL     1       6.622   3.045  -0.803  1.00  0.00           H  
HETATM   36  H   UNL     1       5.220   2.148  -1.434  1.00  0.00           H  
HETATM   37  H   UNL     1       4.133   2.283   0.791  1.00  0.00           H  
HETATM   38  H   UNL     1       5.535   3.180   1.421  1.00  0.00           H  
HETATM   39  H   UNL     1       4.507   3.906   0.163  1.00  0.00           H  
HETATM   40  H   UNL     1       6.633   1.776   1.989  1.00  0.00           H  
HETATM   41  H   UNL     1       7.692   0.403   1.590  1.00  0.00           H  
HETATM   42  H   UNL     1       7.961   3.236   0.488  1.00  0.00           H  
HETATM   43  H   UNL     1       8.989   2.510   1.746  1.00  0.00           H  
HETATM   44  H   UNL     1       9.019   1.862   0.088  1.00  0.00           H  
HETATM   45  H   UNL     1       1.988  -0.428  -1.615  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.679  -2.484  -0.917  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.462  -1.022  -1.909  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.334  -0.717  -0.327  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.254  -1.088   1.039  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.399   2.554   1.029  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.883   1.082   1.905  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.832   3.528  -0.540  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.039   3.661  -1.614  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.629   1.823  -1.425  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.184  -0.451  -0.550  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.223  -2.450   1.771  1.00  0.00           H  
HETATM   57  H   UNL     1       4.736  -2.338   1.047  1.00  0.00           H  
HETATM   58  H   UNL     1       8.143   0.979  -1.473  1.00  0.00           H  
HETATM   59  H   UNL     1       4.472   0.083  -1.505  1.00  0.00           H  
HETATM   60  H   UNL     1       3.040  -4.046   1.563  1.00  0.00           H  
HETATM   61  H   UNL     1       0.823  -3.942   0.501  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.002  -1.653  -2.249  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.485  -3.125  -1.373  1.00  0.00           H  
HETATM   64  H   UNL     1       0.449   0.146  -0.018  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.631   0.517  -1.383  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.423   0.451   1.565  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.205   1.913   0.573  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.454  -2.420   0.735  1.00  0.00           H  
CONECT    1   23   20   20    2                                       
CONECT    2    3    1   21    5                                       
CONECT    3    4    2   35   36                                       
CONECT    4    3   37   38   39                                       
CONECT    5    2    6   40   41                                       
CONECT    6    5   42   43   44                                       
CONECT    7   19   19    8   23                                       
CONECT    8   26   26    7   45                                       
CONECT    9   10   28   46   47                                       
CONECT   10   31    9   48   49                                       
CONECT   11   12   31   50   51                                       
CONECT   12   11   18   18   13                                       
CONECT   13   12   14   14   52                                       
CONECT   14   13   13   15   53                                       
CONECT   15   34   34   14   54                                       
CONECT   16   33   33   34   55                                       
CONECT   17   32   32   33   56                                       
CONECT   18   32   12   12   34                                       
CONECT   19   24    7    7   57                                       
CONECT   20    1    1                                                 
CONECT   21    2   22   22   58                                       
CONECT   22   21   21                                                 
CONECT   23    7    1   59                                            
CONECT   24   25   25   19   60                                       
CONECT   25   24   24   26   61                                       
CONECT   26   25   27    8    8                                       
CONECT   27   28   26   62   63                                       
CONECT   28   29    9   27                                            
CONECT   29   30   28   64   65                                       
CONECT   30   31   29   66   67                                       
CONECT   31   11   30   10                                            
CONECT   32   17   17   18                                            
CONECT   33   17   16   16   68                                       
CONECT   34   18   16   15   15                                       
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   33                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
