COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.834   0.653   0.345  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.379   1.098   1.377  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.026   1.312  -0.299  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.464   2.510   0.545  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.657   3.169  -0.098  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.935   2.762   0.235  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.029   3.366  -0.356  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.845   4.378  -1.279  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.567   4.786  -1.612  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.473   4.185  -1.018  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.269  -0.427  -0.230  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.047  -1.004   0.337  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.915  -2.461  -0.112  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.036  -3.273   0.482  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.801  -2.765   1.267  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.187  -4.568   0.137  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.161  -5.412   0.603  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.981  -6.616   0.029  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.395  -5.259  -0.743  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.859  -6.520  -0.822  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.853  -0.220  -0.142  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.007   0.727  -0.884  1.00  0.00           O  
HETATM   23  O   UNL     1       2.102   0.959   2.011  1.00  0.00           O  
HETATM   24  N   UNL     1       0.387  -0.572   0.253  1.00  0.00           N  
HETATM   25  C   UNL     1       1.548   0.191  -0.213  1.00  0.00           C  
HETATM   26  C   UNL     1       2.773  -0.687  -0.174  1.00  0.00           C  
HETATM   27  O   UNL     1       2.684  -1.835   0.205  1.00  0.00           O  
HETATM   28  C   UNL     1       1.760   1.403   0.696  1.00  0.00           C  
HETATM   29  C   UNL     1       2.323   2.019   2.943  1.00  0.00           C  
HETATM   30  C   UNL     1       8.564   1.173  -1.928  1.00  0.00           C  
HETATM   31  C   UNL     1       7.904   0.302  -2.740  1.00  0.00           C  
HETATM   32  C   UNL     1       8.128   1.355  -0.604  1.00  0.00           C  
HETATM   33  C   UNL     1       6.571   0.808   1.189  1.00  0.00           C  
HETATM   34  C   UNL     1       7.007   0.626  -0.135  1.00  0.00           C  
HETATM   35  C   UNL     1       7.231   1.679   2.000  1.00  0.00           C  
HETATM   36  N   UNL     1       3.966  -0.195  -0.561  1.00  0.00           N  
HETATM   37  C   UNL     1       5.157  -1.048  -0.524  1.00  0.00           C  
HETATM   38  C   UNL     1       6.352  -0.264  -1.003  1.00  0.00           C  
HETATM   39  C   UNL     1       6.798  -0.410  -2.281  1.00  0.00           C  
HETATM   40  C   UNL     1       8.333   2.396   1.539  1.00  0.00           C  
HETATM   41  C   UNL     1       8.783   2.246   0.263  1.00  0.00           C  
HETATM   42  H   UNL     1      -4.758   1.651  -1.299  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.845   0.596  -0.365  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.733   2.171   1.546  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.646   3.227   0.612  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.079   1.971   0.956  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.028   3.047  -0.096  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.700   4.850  -1.741  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.423   5.576  -2.334  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.475   4.504  -1.278  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.672  -0.823  -1.019  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.096  -0.962   1.425  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.966  -2.512  -1.200  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.959  -2.860   0.226  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.937  -5.156   1.309  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.585  -7.497   0.191  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.544  -4.862  -1.276  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.451  -7.312  -1.432  1.00  0.00           H  
HETATM   59  H   UNL     1       0.510  -1.329   0.847  1.00  0.00           H  
HETATM   60  H   UNL     1       1.375   0.528  -1.234  1.00  0.00           H  
HETATM   61  H   UNL     1       0.843   1.991   0.738  1.00  0.00           H  
HETATM   62  H   UNL     1       2.568   2.018   0.299  1.00  0.00           H  
HETATM   63  H   UNL     1       3.142   2.646   2.593  1.00  0.00           H  
HETATM   64  H   UNL     1       1.418   2.619   3.032  1.00  0.00           H  
HETATM   65  H   UNL     1       2.578   1.599   3.917  1.00  0.00           H  
HETATM   66  H   UNL     1       9.419   1.719  -2.298  1.00  0.00           H  
HETATM   67  H   UNL     1       8.243   0.161  -3.756  1.00  0.00           H  
HETATM   68  H   UNL     1       5.718   0.260   1.560  1.00  0.00           H  
HETATM   69  H   UNL     1       6.894   1.817   3.017  1.00  0.00           H  
HETATM   70  H   UNL     1       4.037   0.724  -0.864  1.00  0.00           H  
HETATM   71  H   UNL     1       5.330  -1.385   0.498  1.00  0.00           H  
HETATM   72  H   UNL     1       5.006  -1.911  -1.171  1.00  0.00           H  
HETATM   73  H   UNL     1       6.293  -1.095  -2.946  1.00  0.00           H  
HETATM   74  H   UNL     1       8.839   3.081   2.204  1.00  0.00           H  
HETATM   75  H   UNL     1       9.639   2.807  -0.080  1.00  0.00           H  
CONECT    1   11    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   42   43                                       
CONECT    4    3    5   44   45                                       
CONECT    5   10    4    6    6                                       
CONECT    6    5    5    7   46                                       
CONECT    7    8    8    6   47                                       
CONECT    8    9    7    7   48                                       
CONECT    9   10   10    8   49                                       
CONECT   10    9    9    5   50                                       
CONECT   11   12    1   51                                            
CONECT   12   13   11   21   52                                       
CONECT   13   14   12   53   54                                       
CONECT   14   15   15   16   13                                       
CONECT   15   14   14                                                 
CONECT   16   19   14   17                                            
CONECT   17   16   18   18   55                                       
CONECT   18   20   17   17   56                                       
CONECT   19   20   20   16   57                                       
CONECT   20   19   19   18   58                                       
CONECT   21   12   24   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   28   29                                                 
CONECT   24   21   25   59                                            
CONECT   25   24   26   28   60                                       
CONECT   26   27   27   25   36                                       
CONECT   27   26   26                                                 
CONECT   28   25   23   61   62                                       
CONECT   29   23   63   64   65                                       
CONECT   30   32   32   31   66                                       
CONECT   31   39   39   30   67                                       
CONECT   32   34   41   30   30                                       
CONECT   33   35   35   34   68                                       
CONECT   34   33   38   38   32                                       
CONECT   35   33   33   40   69                                       
CONECT   36   26   37   70                                            
CONECT   37   36   38   71   72                                       
CONECT   38   37   34   34   39                                       
CONECT   39   38   31   31   73                                       
CONECT   40   35   41   41   74                                       
CONECT   41   40   40   32   75                                       
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
