COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.498   4.486  -0.136  1.00  0.00           C  
HETATM    2  C   UNL     1      10.923   3.344  -0.977  1.00  0.00           C  
HETATM    3  C   UNL     1      10.170   2.371  -0.068  1.00  0.00           C  
HETATM    4  C   UNL     1       9.595   1.229  -0.909  1.00  0.00           C  
HETATM    5  C   UNL     1       8.842   0.255   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       8.267  -0.886  -0.840  1.00  0.00           C  
HETATM    7  O   UNL     1       7.563  -1.796   0.009  1.00  0.00           O  
HETATM    8  C   UNL     1       6.984  -2.905  -0.681  1.00  0.00           C  
HETATM    9  C   UNL     1       6.261  -3.807   0.321  1.00  0.00           C  
HETATM   10  O   UNL     1       5.158  -3.098   0.890  1.00  0.00           O  
HETATM   11  C   UNL     1       4.411  -3.855   1.844  1.00  0.00           C  
HETATM   12  C   UNL     1       3.261  -3.002   2.384  1.00  0.00           C  
HETATM   13  N   UNL     1       2.320  -2.707   1.301  1.00  0.00           N  
HETATM   14  C   UNL     1       1.223  -1.965   1.545  1.00  0.00           C  
HETATM   15  O   UNL     1       1.013  -1.539   2.664  1.00  0.00           O  
HETATM   16  C   UNL     1       0.272  -1.667   0.450  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.862  -0.899   0.704  1.00  0.00           C  
HETATM   18  C   UNL     1       0.517  -2.152  -0.837  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.363  -1.879  -1.864  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.504  -1.117  -1.624  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.446  -0.825  -2.726  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.201  -1.297  -3.964  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.440  -0.160  -2.515  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.756  -0.620  -0.329  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.959   0.192  -0.068  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.872   1.586   0.104  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.625   2.243   0.032  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.557   3.583   0.201  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.775   4.350   0.457  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.705   5.666   0.622  1.00  0.00           N1+
HETATM   31  C   UNL     1      -1.410   6.346   0.547  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.924   6.437   0.879  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.023   3.697   0.529  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.095   2.345   0.360  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.289   1.718   0.429  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.413   0.383   0.269  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.665  -0.208   0.351  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.287  -0.425   0.014  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.437  -1.808  -0.149  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.674  -2.374  -0.061  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.796  -1.580   0.186  1.00  0.00           C  
HETATM   42  N   UNL     1      -8.052  -2.168   0.274  1.00  0.00           N  
HETATM   43  C   UNL     1      -8.196  -3.617   0.109  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.232  -1.340   0.533  1.00  0.00           C  
HETATM   45  H   UNL     1      12.034   5.180  -0.784  1.00  0.00           H  
HETATM   46  H   UNL     1      10.686   5.012   0.366  1.00  0.00           H  
HETATM   47  H   UNL     1      12.182   4.080   0.608  1.00  0.00           H  
HETATM   48  H   UNL     1      10.238   3.750  -1.721  1.00  0.00           H  
HETATM   49  H   UNL     1      11.735   2.818  -1.479  1.00  0.00           H  
HETATM   50  H   UNL     1      10.854   1.965   0.677  1.00  0.00           H  
HETATM   51  H   UNL     1       9.358   2.897   0.434  1.00  0.00           H  
HETATM   52  H   UNL     1       8.910   1.635  -1.653  1.00  0.00           H  
HETATM   53  H   UNL     1      10.407   0.703  -1.411  1.00  0.00           H  
HETATM   54  H   UNL     1       9.527  -0.150   0.745  1.00  0.00           H  
HETATM   55  H   UNL     1       8.030   0.781   0.502  1.00  0.00           H  
HETATM   56  H   UNL     1       7.582  -0.481  -1.585  1.00  0.00           H  
HETATM   57  H   UNL     1       9.079  -1.412  -1.342  1.00  0.00           H  
HETATM   58  H   UNL     1       6.273  -2.541  -1.422  1.00  0.00           H  
HETATM   59  H   UNL     1       7.770  -3.473  -1.180  1.00  0.00           H  
HETATM   60  H   UNL     1       5.895  -4.698  -0.190  1.00  0.00           H  
HETATM   61  H   UNL     1       6.952  -4.099   1.112  1.00  0.00           H  
HETATM   62  H   UNL     1       4.007  -4.747   1.365  1.00  0.00           H  
HETATM   63  H   UNL     1       5.063  -4.148   2.666  1.00  0.00           H  
HETATM   64  H   UNL     1       2.746  -3.546   3.176  1.00  0.00           H  
HETATM   65  H   UNL     1       3.658  -2.069   2.784  1.00  0.00           H  
HETATM   66  H   UNL     1       2.487  -3.047   0.408  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.048  -0.522   1.698  1.00  0.00           H  
HETATM   68  H   UNL     1       1.400  -2.744  -1.029  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.167  -2.257  -2.857  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.845  -1.081  -4.651  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.725   1.675  -0.157  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.603   4.087   0.146  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.217   6.648  -0.482  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.425   7.228   1.188  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.624   5.668   0.880  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.098   6.495   1.954  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.810   7.443   0.475  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.772   5.947   0.400  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.921   4.267   0.719  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.537   0.399   0.542  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.573  -2.426  -0.345  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.788  -3.441  -0.187  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.100  -4.104   1.079  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.175  -3.839  -0.314  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.418  -3.985  -0.561  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.394  -1.263   1.608  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.076  -0.345   0.117  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.105  -1.796   0.066  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    1    3   48   49                                       
CONECT    3    2    4   50   51                                       
CONECT    4    3    5   52   53                                       
CONECT    5    4    6   54   55                                       
CONECT    6    5    7   56   57                                       
CONECT    7    8    6                                                 
CONECT    8    9    7   58   59                                       
CONECT    9   10    8   60   61                                       
CONECT   10   11    9                                                 
CONECT   11   12   10   62   63                                       
CONECT   12   13   11   64   65                                       
CONECT   13   14   12   66                                            
CONECT   14   15   15   16   13                                       
CONECT   15   14   14                                                 
CONECT   16   18   14   17   17                                       
CONECT   17   16   16   24   67                                       
CONECT   18   19   19   16   68                                       
CONECT   19   18   18   20   69                                       
CONECT   20   19   21   24   24                                       
CONECT   21   23   23   20   22                                       
CONECT   22   21   70                                                 
CONECT   23   21   21                                                 
CONECT   24   20   20   17   25                                       
CONECT   25   38   24   26   26                                       
CONECT   26   25   25   34   27                                       
CONECT   27   26   28   28   71                                       
CONECT   28   27   27   29   72                                       
CONECT   29   33   28   30   30                                       
CONECT   30   29   29   31   32                                       
CONECT   31   30   73   74   75                                       
CONECT   32   30   76   77   78                                       
CONECT   33   34   34   29   79                                       
CONECT   34   35   26   33   33                                       
CONECT   35   36   34                                                 
CONECT   36   37   37   38   35                                       
CONECT   37   41   36   36   80                                       
CONECT   38   39   39   36   25                                       
CONECT   39   40   38   38   81                                       
CONECT   40   41   41   39   82                                       
CONECT   41   42   40   40   37                                       
CONECT   42   44   43   41                                            
CONECT   43   42   83   84   85                                       
CONECT   44   42   86   87   88                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   22                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   37                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   43                                                      
CONECT   84   43                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   44                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
