COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.163  -5.537  -0.251  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.030  -4.556  -1.282  1.00  0.00           O  
HETATM    3  C   UNL     1       0.636  -3.414  -0.965  1.00  0.00           C  
HETATM    4  C   UNL     1       1.154  -3.246   0.311  1.00  0.00           C  
HETATM    5  C   UNL     1       1.829  -2.088   0.636  1.00  0.00           C  
HETATM    6  C   UNL     1       0.800  -2.421  -1.921  1.00  0.00           C  
HETATM    7  C   UNL     1       1.475  -1.261  -1.603  1.00  0.00           C  
HETATM    8  C   UNL     1       1.992  -1.086  -0.320  1.00  0.00           C  
HETATM    9  C   UNL     1       2.716   0.160   0.026  1.00  0.00           C  
HETATM   10  C   UNL     1       4.057   0.322   0.340  1.00  0.00           C  
HETATM   11  N   UNL     1       5.022  -0.669   0.397  1.00  0.00           N  
HETATM   12  C   UNL     1       6.293  -0.355   0.718  1.00  0.00           C  
HETATM   13  C   UNL     1       7.344  -1.433   0.780  1.00  0.00           C  
HETATM   14  O   UNL     1       6.590   0.796   0.957  1.00  0.00           O  
HETATM   15  O   UNL     1       4.232   1.631   0.576  1.00  0.00           O  
HETATM   16  N   UNL     1       3.219   2.275   0.456  1.00  0.00           N  
HETATM   17  C   UNL     1       2.192   1.533   0.116  1.00  0.00           C  
HETATM   18  C   UNL     1       0.800   1.981  -0.125  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.263   1.288   0.445  1.00  0.00           C  
HETATM   20  C   UNL     1       0.553   3.107  -0.920  1.00  0.00           C  
HETATM   21  O   UNL     1       1.591   3.788  -1.472  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.748   3.527  -1.145  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.808   2.836  -0.585  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.082   3.251  -0.808  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.569   1.712   0.217  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.703   0.974   0.816  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.628   0.292  -0.009  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.501   0.294  -1.407  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.432  -0.387  -2.141  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.469  -1.056  -1.498  1.00  0.00           C  
HETATM   31  N   UNL     1      -5.584  -1.056  -0.191  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.707  -0.409   0.583  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.838  -0.414   1.983  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.979  -1.155   2.629  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.934   0.250   2.757  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.867   0.937   2.191  1.00  0.00           C  
HETATM   37  H   UNL     1       0.826  -5.856   0.077  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.704  -5.107   0.592  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.713  -6.396  -0.636  1.00  0.00           H  
HETATM   40  H   UNL     1       1.028  -4.023   1.051  1.00  0.00           H  
HETATM   41  H   UNL     1       2.231  -1.958   1.630  1.00  0.00           H  
HETATM   42  H   UNL     1       0.400  -2.557  -2.915  1.00  0.00           H  
HETATM   43  H   UNL     1       1.603  -0.489  -2.347  1.00  0.00           H  
HETATM   44  H   UNL     1       4.784  -1.590   0.205  1.00  0.00           H  
HETATM   45  H   UNL     1       6.892  -2.395   0.537  1.00  0.00           H  
HETATM   46  H   UNL     1       8.135  -1.212   0.064  1.00  0.00           H  
HETATM   47  H   UNL     1       7.764  -1.473   1.785  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.075   0.421   1.062  1.00  0.00           H  
HETATM   49  H   UNL     1       1.848   3.470  -2.348  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.935   4.396  -1.760  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.493   2.855  -1.589  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.690   0.820  -1.889  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.363  -0.405  -3.219  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.198  -1.590  -2.090  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.676  -2.181   2.836  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.252  -0.661   3.562  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.837  -1.159   1.957  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.047   0.238   3.831  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.162   1.451   2.828  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   40                                       
CONECT    5    4    8    8   41                                       
CONECT    6    3    7    7   42                                       
CONECT    7    6    6    8   43                                       
CONECT    8    5    5    7    9                                       
CONECT    9    8   17   10   10                                       
CONECT   10    9    9   15   11                                       
CONECT   11   10   12   44                                            
CONECT   12   14   14   11   13                                       
CONECT   13   12   45   46   47                                       
CONECT   14   12   12                                                 
CONECT   15   16   10                                                 
CONECT   16   17   17   15                                            
CONECT   17   18    9   16   16                                       
CONECT   18   20   20   19   17                                       
CONECT   19   25   25   18   48                                       
CONECT   20   22   21   18   18                                       
CONECT   21   20   49                                                 
CONECT   22   23   23   20   50                                       
CONECT   23   24   22   22   25                                       
CONECT   24   23   51                                                 
CONECT   25   23   26   19   19                                       
CONECT   26   27   25   36   36                                       
CONECT   27   28   28   26   32                                       
CONECT   28   29   27   27   52                                       
CONECT   29   30   30   28   53                                       
CONECT   30   29   29   31   54                                       
CONECT   31   30   32   32                                            
CONECT   32   31   31   27   33                                       
CONECT   33   32   35   35   34                                       
CONECT   34   33   55   56   57                                       
CONECT   35   36   33   33   58                                       
CONECT   36   26   26   35   59                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44   11                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   34                                                      
CONECT   56   34                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   36                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
