COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.368   1.517   0.240  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.638   2.896   0.690  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.171  -0.658  -0.386  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.026   3.712  -0.971  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.389   4.625  -2.148  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.574   6.151  -0.724  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.272   5.317   0.526  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.803  -0.194  -0.387  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.052   1.094   0.028  1.00  0.00           C  
HETATM   10  C   UNL     1       4.439   0.891   0.687  1.00  0.00           C  
HETATM   11  C   UNL     1       1.099  -0.081   2.218  1.00  0.00           C  
HETATM   12  N   UNL     1       0.439  -2.271   1.341  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.571  -2.391   0.148  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.477  -2.991   0.593  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.232  -4.336   0.319  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.136  -5.050  -0.420  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.289  -4.398  -0.882  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.474  -3.040  -0.570  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.289  -5.124  -1.681  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.605  -2.378  -1.016  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.860  -1.076  -0.596  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.427   0.629   0.029  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.005   3.932   0.106  1.00  0.00           N  
HETATM   24  O   UNL     1      -5.432   3.097   1.589  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.525   5.968  -1.678  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.159  -6.451  -1.879  1.00  0.00           N  
HETATM   27  O   UNL     1      -4.234  -4.527  -2.161  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.001  -0.881   1.515  1.00  0.00           C  
HETATM   29  C   UNL     1       1.395  -0.717   3.579  1.00  0.00           C  
HETATM   30  C   UNL     1       1.805  -2.178   3.372  1.00  0.00           C  
HETATM   31  C   UNL     1       0.685  -2.917   2.636  1.00  0.00           C  
HETATM   32  N   UNL     1       2.312  -0.092   1.397  1.00  0.00           N  
HETATM   33  C   UNL     1       3.214   0.902   1.516  1.00  0.00           C  
HETATM   34  O   UNL     1       3.022   1.808   2.303  1.00  0.00           O  
HETATM   35  C   UNL     1       5.376   1.919   0.807  1.00  0.00           C  
HETATM   36  C   UNL     1       6.516   1.903   0.031  1.00  0.00           C  
HETATM   37  C   UNL     1       6.733   0.871  -0.864  1.00  0.00           C  
HETATM   38  C   UNL     1       5.808  -0.151  -0.988  1.00  0.00           C  
HETATM   39  C   UNL     1       4.666  -0.150  -0.214  1.00  0.00           C  
HETATM   40  C   UNL     1       7.978   0.863  -1.713  1.00  0.00           C  
HETATM   41  C   UNL     1       8.784  -0.404  -1.424  1.00  0.00           C  
HETATM   42  C   UNL     1       7.587   0.893  -3.192  1.00  0.00           C  
HETATM   43  C   UNL     1       8.826   2.093  -1.385  1.00  0.00           C  
HETATM   44  H   UNL     1      -5.989  -1.344  -0.549  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.060   2.671  -1.290  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.026   3.955  -0.613  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.602   4.580  -2.900  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.331   4.295  -2.587  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.521   5.828  -1.157  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.640   7.205  -0.452  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.396   5.722   1.034  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.129   5.338   1.198  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.787  -0.521  -0.551  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.232   1.778   0.189  1.00  0.00           H  
HETATM   55  H   UNL     1       0.765   0.947   2.362  1.00  0.00           H  
HETATM   56  H   UNL     1       0.665  -4.812   0.687  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.965  -6.093  -0.644  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.220  -2.822  -1.621  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.444   0.952   0.192  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.406  -6.927  -1.495  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.818  -6.929  -2.405  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.908  -0.860   2.120  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.204  -0.439   0.540  1.00  0.00           H  
HETATM   64  H   UNL     1       2.208  -0.176   4.064  1.00  0.00           H  
HETATM   65  H   UNL     1       0.503  -0.674   4.204  1.00  0.00           H  
HETATM   66  H   UNL     1       2.719  -2.220   2.780  1.00  0.00           H  
HETATM   67  H   UNL     1       1.976  -2.648   4.341  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.225  -2.887   3.235  1.00  0.00           H  
HETATM   69  H   UNL     1       0.979  -3.954   2.475  1.00  0.00           H  
HETATM   70  H   UNL     1       2.466  -0.814   0.769  1.00  0.00           H  
HETATM   71  H   UNL     1       5.208   2.726   1.506  1.00  0.00           H  
HETATM   72  H   UNL     1       7.241   2.698   0.123  1.00  0.00           H  
HETATM   73  H   UNL     1       5.983  -0.954  -1.689  1.00  0.00           H  
HETATM   74  H   UNL     1       3.946  -0.948  -0.312  1.00  0.00           H  
HETATM   75  H   UNL     1       9.685  -0.410  -2.039  1.00  0.00           H  
HETATM   76  H   UNL     1       9.063  -0.426  -0.371  1.00  0.00           H  
HETATM   77  H   UNL     1       8.180  -1.281  -1.658  1.00  0.00           H  
HETATM   78  H   UNL     1       7.012   1.796  -3.398  1.00  0.00           H  
HETATM   79  H   UNL     1       8.487   0.888  -3.806  1.00  0.00           H  
HETATM   80  H   UNL     1       6.982   0.017  -3.426  1.00  0.00           H  
HETATM   81  H   UNL     1       8.252   2.997  -1.591  1.00  0.00           H  
HETATM   82  H   UNL     1       9.105   2.072  -0.332  1.00  0.00           H  
HETATM   83  H   UNL     1       9.727   2.088  -1.999  1.00  0.00           H  
CONECT    1    2   22   22    9                                       
CONECT    2   23   24   24    1                                       
CONECT    3   22   21   21   44                                       
CONECT    4    5   23   45   46                                       
CONECT    5   25    4   47   48                                       
CONECT    6   25    7   49   50                                       
CONECT    7    6   23   51   52                                       
CONECT    8    9    9   21   53                                       
CONECT    9    1    8    8   54                                       
CONECT   10   39   39   35   33                                       
CONECT   11   32   29   28   55                                       
CONECT   12   28   31   14                                            
CONECT   13   14   14   18                                            
CONECT   14   12   13   13   15                                       
CONECT   15   14   16   16   56                                       
CONECT   16   15   15   17   57                                       
CONECT   17   18   18   16   19                                       
CONECT   18   13   20   17   17                                       
CONECT   19   17   27   27   26                                       
CONECT   20   21   18   58                                            
CONECT   21    3    3    8   20                                       
CONECT   22    1    1    3   59                                       
CONECT   23    4    7    2                                            
CONECT   24    2    2                                                 
CONECT   25    5    6                                                 
CONECT   26   19   60   61                                            
CONECT   27   19   19                                                 
CONECT   28   11   12   62   63                                       
CONECT   29   11   30   64   65                                       
CONECT   30   29   31   66   67                                       
CONECT   31   30   12   68   69                                       
CONECT   32   33   11   70                                            
CONECT   33   10   32   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   36   36   10   71                                       
CONECT   36   37   35   35   72                                       
CONECT   37   40   38   38   36                                       
CONECT   38   37   37   39   73                                       
CONECT   39   38   10   10   74                                       
CONECT   40   43   41   42   37                                       
CONECT   41   40   75   76   77                                       
CONECT   42   40   78   79   80                                       
CONECT   43   40   81   82   83                                       
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   20                                                      
CONECT   59   22                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   43                                                      
CONECT   82   43                                                      
CONECT   83   43                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
