COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.402   0.668  -1.257  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.965  -0.397  -0.427  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.293  -0.244  -0.299  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.454   1.523  -1.661  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.182  -1.125   0.462  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.366   2.514  -2.358  1.00  0.00           O  
HETATM    7  O   UNL     1      -2.320  -1.296   0.078  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.049   0.816  -1.597  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.099  -0.111  -1.126  1.00  0.00           C  
HETATM   10  C   UNL     1       1.223   0.094  -1.358  1.00  0.00           C  
HETATM   11  C   UNL     1       2.169  -0.899  -0.996  1.00  0.00           C  
HETATM   12  C   UNL     1       3.470  -0.698  -1.225  1.00  0.00           C  
HETATM   13  C   UNL     1       4.489  -1.665  -0.680  1.00  0.00           C  
HETATM   14  C   UNL     1       1.706  -2.182  -0.355  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.657   1.848  -2.374  1.00  0.00           O  
HETATM   16  O   UNL     1      -6.526  -0.664   0.339  1.00  0.00           O  
HETATM   17  C   UNL     1      -5.073  -2.551  -0.084  1.00  0.00           C  
HETATM   18  C   UNL     1       5.574  -0.893   0.073  1.00  0.00           C  
HETATM   19  C   UNL     1       5.124  -2.441  -1.836  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.980  -3.472   0.740  1.00  0.00           C  
HETATM   21  C   UNL     1       4.953  -0.181   1.282  1.00  0.00           C  
HETATM   22  O   UNL     1       6.153   0.083  -0.792  1.00  0.00           O  
HETATM   23  C   UNL     1       6.077   0.611   1.969  1.00  0.00           C  
HETATM   24  C   UNL     1       4.388  -1.225   2.248  1.00  0.00           C  
HETATM   25  C   UNL     1       7.136   0.807  -0.082  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.710   0.949  -1.045  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.344   1.967  -0.095  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.339   2.371   0.952  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.779   3.202  -0.888  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.678   3.266   1.902  1.00  0.00           N  
HETATM   31  O   UNL     1      -3.225   1.892   0.941  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.700   3.659   2.920  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.329  -1.432   1.233  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.396  -2.883   0.751  1.00  0.00           C  
HETATM   35  O   UNL     1      -7.941  -2.926  -0.569  1.00  0.00           O  
HETATM   36  C   UNL     1      -8.742  -0.846   1.278  1.00  0.00           C  
HETATM   37  O   UNL     1       6.619   1.529   1.026  1.00  0.00           O  
HETATM   38  C   UNL     1       8.295  -0.071   0.376  1.00  0.00           C  
HETATM   39  C   UNL     1       7.718   1.838  -1.051  1.00  0.00           C  
HETATM   40  C   UNL     1       7.122  -0.348   2.467  1.00  0.00           C  
HETATM   41  C   UNL     1       9.031  -0.877  -0.693  1.00  0.00           C  
HETATM   42  C   UNL     1       8.149  -0.684   1.729  1.00  0.00           C  
HETATM   43  O   UNL     1       9.607   0.271  -0.065  1.00  0.00           O  
HETATM   44  H   UNL     1      -4.890  -1.116   1.512  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.423  -0.985  -0.580  1.00  0.00           H  
HETATM   46  H   UNL     1       1.555   1.013  -1.818  1.00  0.00           H  
HETATM   47  H   UNL     1       3.791   0.158  -1.800  1.00  0.00           H  
HETATM   48  H   UNL     1       4.001  -2.363   0.001  1.00  0.00           H  
HETATM   49  H   UNL     1       2.568  -2.817  -0.150  1.00  0.00           H  
HETATM   50  H   UNL     1       1.191  -1.956   0.579  1.00  0.00           H  
HETATM   51  H   UNL     1       1.024  -2.700  -1.029  1.00  0.00           H  
HETATM   52  H   UNL     1       0.309   1.811  -2.422  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.388  -2.568  -1.127  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.041  -2.893  -0.007  1.00  0.00           H  
HETATM   55  H   UNL     1       6.345  -1.584   0.412  1.00  0.00           H  
HETATM   56  H   UNL     1       5.798  -3.200  -1.437  1.00  0.00           H  
HETATM   57  H   UNL     1       4.342  -2.922  -2.424  1.00  0.00           H  
HETATM   58  H   UNL     1       5.685  -1.754  -2.470  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.000  -4.464   0.290  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.604  -3.538   1.761  1.00  0.00           H  
HETATM   61  H   UNL     1       4.161   0.498   0.968  1.00  0.00           H  
HETATM   62  H   UNL     1       5.658   1.161   2.811  1.00  0.00           H  
HETATM   63  H   UNL     1       4.084  -0.736   3.173  1.00  0.00           H  
HETATM   64  H   UNL     1       3.525  -1.711   1.793  1.00  0.00           H  
HETATM   65  H   UNL     1       5.153  -1.971   2.464  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.419   0.673  -1.826  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.213   1.522   0.388  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.327   3.879  -0.234  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.898   3.709  -1.282  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.421   2.895  -1.714  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.568   3.649   1.911  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.391   2.779   3.485  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.831   4.104   2.436  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.152   4.385   3.596  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.892  -1.402   2.231  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.027  -3.463   1.425  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.959  -3.856  -0.834  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.356  -1.429   1.965  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.695   0.187   1.622  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.180  -0.878   0.281  1.00  0.00           H  
HETATM   81  H   UNL     1       6.924   2.501  -1.395  1.00  0.00           H  
HETATM   82  H   UNL     1       8.485   2.422  -0.543  1.00  0.00           H  
HETATM   83  H   UNL     1       8.158   1.325  -1.906  1.00  0.00           H  
HETATM   84  H   UNL     1       7.023  -0.769   3.457  1.00  0.00           H  
HETATM   85  H   UNL     1       9.418  -1.857  -0.414  1.00  0.00           H  
HETATM   86  H   UNL     1       8.696  -0.776  -1.726  1.00  0.00           H  
HETATM   87  H   UNL     1       8.880  -1.389   2.096  1.00  0.00           H  
CONECT    1    2    4    8    8                                       
CONECT    2    1    3    7    7                                       
CONECT    3    2    5   26                                            
CONECT    4    1    6    6   26                                       
CONECT    5    3   16   17   44                                       
CONECT    6    4    4                                                 
CONECT    7    2    2                                                 
CONECT    8    1    1    9   15                                       
CONECT    9    8   10   10   45                                       
CONECT   10    9    9   11   46                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11   13   47                                       
CONECT   13   12   18   19   48                                       
CONECT   14   11   49   50   51                                       
CONECT   15    8   52                                                 
CONECT   16    5   33                                                 
CONECT   17    5   20   53   54                                       
CONECT   18   13   21   22   55                                       
CONECT   19   13   56   57   58                                       
CONECT   20   17   34   59   60                                       
CONECT   21   18   23   24   61                                       
CONECT   22   18   25                                                 
CONECT   23   21   37   40   62                                       
CONECT   24   21   63   64   65                                       
CONECT   25   22   37   38   39                                       
CONECT   26    3    4   27   66                                       
CONECT   27   26   28   29   67                                       
CONECT   28   27   30   31   31                                       
CONECT   29   27   68   69   70                                       
CONECT   30   28   32   71                                            
CONECT   31   28   28                                                 
CONECT   32   30   72   73   74                                       
CONECT   33   16   34   36   75                                       
CONECT   34   20   33   35   76                                       
CONECT   35   34   77                                                 
CONECT   36   33   78   79   80                                       
CONECT   37   23   25                                                 
CONECT   38   25   41   42   43                                       
CONECT   39   25   81   82   83                                       
CONECT   40   23   42   42   84                                       
CONECT   41   38   43   85   86                                       
CONECT   42   38   40   40   87                                       
CONECT   43   38   41                                                 
CONECT   44    5                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
