COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.778   1.833   1.268  1.00  0.00           C  
HETATM    2  C   UNL     1       8.928   0.561   1.305  1.00  0.00           C  
HETATM    3  C   UNL     1       8.849   0.041   2.742  1.00  0.00           C  
HETATM    4  C   UNL     1       9.804   2.381  -0.162  1.00  0.00           C  
HETATM    5  O   UNL     1       8.374   3.074  -1.985  1.00  0.00           O  
HETATM    6  C   UNL     1       8.366   2.631  -0.627  1.00  0.00           C  
HETATM    7  O   UNL     1      10.536   3.608  -0.191  1.00  0.00           O  
HETATM    8  O   UNL     1       9.214   2.811   2.144  1.00  0.00           O  
HETATM    9  O   UNL     1       8.154  -1.208   2.760  1.00  0.00           O  
HETATM   10  O   UNL     1       7.612   0.855   0.832  1.00  0.00           O  
HETATM   11  C   UNL     1       7.569   1.328  -0.518  1.00  0.00           C  
HETATM   12  C   UNL     1       6.116   1.584  -0.924  1.00  0.00           C  
HETATM   13  C   UNL     1       5.350   0.259  -0.935  1.00  0.00           C  
HETATM   14  N   UNL     1       3.958   0.504  -1.324  1.00  0.00           N  
HETATM   15  C   UNL     1       3.090  -0.524  -1.402  1.00  0.00           C  
HETATM   16  O   UNL     1       3.460  -1.651  -1.151  1.00  0.00           O  
HETATM   17  C   UNL     1       1.659  -0.273  -1.802  1.00  0.00           C  
HETATM   18  N   UNL     1       1.057  -1.522  -2.273  1.00  0.00           N  
HETATM   19  C   UNL     1       0.983  -2.587  -1.451  1.00  0.00           C  
HETATM   20  O   UNL     1       1.415  -2.511  -0.320  1.00  0.00           O  
HETATM   21  C   UNL     1       0.363  -3.872  -1.936  1.00  0.00           C  
HETATM   22  C   UNL     1       0.404  -4.897  -0.832  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.649  -4.996   0.058  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.611  -5.936   1.071  1.00  0.00           C  
HETATM   25  C   UNL     1       0.479  -6.777   1.194  1.00  0.00           C  
HETATM   26  C   UNL     1       1.532  -6.679   0.303  1.00  0.00           C  
HETATM   27  C   UNL     1       1.492  -5.743  -0.713  1.00  0.00           C  
HETATM   28  C   UNL     1       0.876   0.247  -0.594  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.522   0.614  -1.022  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.678   0.160  -0.486  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.863   1.458  -2.002  1.00  0.00           N  
HETATM   32  N   UNL     1      -2.146   1.518  -2.072  1.00  0.00           N  
HETATM   33  N   UNL     1      -2.675   0.755  -1.181  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.110   0.566  -0.956  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.462  -0.886  -1.147  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.319  -1.751  -0.131  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.873  -1.273  -2.216  1.00  0.00           O  
HETATM   38  O   UNL     1      -4.440   0.965   0.376  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.900   1.419  -1.952  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.398   1.262  -1.672  1.00  0.00           C  
HETATM   41  O   UNL     1      -7.140   2.111  -2.550  1.00  0.00           O  
HETATM   42  C   UNL     1      -6.678   1.658  -0.219  1.00  0.00           C  
HETATM   43  N   UNL     1      -8.095   1.441   0.083  1.00  0.00           N  
HETATM   44  C   UNL     1      -9.000   2.397  -0.208  1.00  0.00           C  
HETATM   45  O   UNL     1      -8.641   3.436  -0.721  1.00  0.00           O  
HETATM   46  C   UNL     1     -10.458   2.174   0.102  1.00  0.00           C  
HETATM   47  C   UNL     1      -5.819   0.796   0.711  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.049   1.226   2.161  1.00  0.00           C  
HETATM   49  O   UNL     1      -5.796   2.627   2.289  1.00  0.00           O  
HETATM   50  C   UNL     1      -5.100   0.452   3.079  1.00  0.00           C  
HETATM   51  O   UNL     1      -5.352  -0.949   2.952  1.00  0.00           O  
HETATM   52  C   UNL     1      -5.329   0.882   4.529  1.00  0.00           C  
HETATM   53  O   UNL     1      -4.366   0.246   5.372  1.00  0.00           O  
HETATM   54  H   UNL     1      10.794   1.601   1.588  1.00  0.00           H  
HETATM   55  H   UNL     1       9.382  -0.199   0.668  1.00  0.00           H  
HETATM   56  H   UNL     1       9.857  -0.098   3.134  1.00  0.00           H  
HETATM   57  H   UNL     1       8.316   0.762   3.361  1.00  0.00           H  
HETATM   58  H   UNL     1      10.281   1.656  -0.822  1.00  0.00           H  
HETATM   59  H   UNL     1       8.866   3.894  -2.129  1.00  0.00           H  
HETATM   60  H   UNL     1       7.907   3.393   0.002  1.00  0.00           H  
HETATM   61  H   UNL     1      11.455   3.525   0.099  1.00  0.00           H  
HETATM   62  H   UNL     1       9.165   2.529   3.068  1.00  0.00           H  
HETATM   63  H   UNL     1       8.067  -1.597   3.641  1.00  0.00           H  
HETATM   64  H   UNL     1       8.005   0.579  -1.179  1.00  0.00           H  
HETATM   65  H   UNL     1       5.654   2.265  -0.210  1.00  0.00           H  
HETATM   66  H   UNL     1       6.089   2.027  -1.919  1.00  0.00           H  
HETATM   67  H   UNL     1       5.812  -0.422  -1.649  1.00  0.00           H  
HETATM   68  H   UNL     1       5.376  -0.184   0.060  1.00  0.00           H  
HETATM   69  H   UNL     1       3.662   1.405  -1.525  1.00  0.00           H  
HETATM   70  H   UNL     1       1.630   0.469  -2.600  1.00  0.00           H  
HETATM   71  H   UNL     1       0.712  -1.583  -3.178  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.672  -3.690  -2.225  1.00  0.00           H  
HETATM   73  H   UNL     1       0.921  -4.242  -2.796  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.500  -4.339  -0.037  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.434  -6.013   1.767  1.00  0.00           H  
HETATM   76  H   UNL     1       0.508  -7.512   1.985  1.00  0.00           H  
HETATM   77  H   UNL     1       2.381  -7.339   0.396  1.00  0.00           H  
HETATM   78  H   UNL     1       2.314  -5.665  -1.409  1.00  0.00           H  
HETATM   79  H   UNL     1       0.830  -0.529   0.170  1.00  0.00           H  
HETATM   80  H   UNL     1       1.375   1.127  -0.189  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.785  -0.538   0.331  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.558  -2.673  -0.302  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.616   2.465  -1.842  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.682   1.087  -2.968  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.693   0.225  -1.832  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.005   1.921  -3.488  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.430   2.709  -0.073  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.382   0.610   0.493  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.580   2.014   1.173  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.031   3.049  -0.202  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.815   1.299  -0.440  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.096  -0.252   0.594  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.080   1.016   2.444  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.895   2.887   2.053  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.069   0.662   2.796  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.253  -1.209   3.188  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.224   1.964   4.608  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.333   0.591   4.840  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.452   0.474   6.308  1.00  0.00           H  
CONECT    1    4    2    8   54                                       
CONECT    2   10    1    3   55                                       
CONECT    3    2    9   56   57                                       
CONECT    4    6    7    1   58                                       
CONECT    5    6   59                                                 
CONECT    6    5   11    4   60                                       
CONECT    7    4   61                                                 
CONECT    8    1   62                                                 
CONECT    9    3   63                                                 
CONECT   10   11    2                                                 
CONECT   11   12    6   10   64                                       
CONECT   12   13   11   65   66                                       
CONECT   13   14   12   67   68                                       
CONECT   14   15   13   69                                            
CONECT   15   17   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17   28   15   18   70                                       
CONECT   18   17   19   71                                            
CONECT   19   20   20   18   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   72   73                                       
CONECT   22   27   21   23   23                                       
CONECT   23   22   22   24   74                                       
CONECT   24   25   25   23   75                                       
CONECT   25   26   24   24   76                                       
CONECT   26   27   27   25   77                                       
CONECT   27   26   26   22   78                                       
CONECT   28   29   17   79   80                                       
CONECT   29   30   30   28   31                                       
CONECT   30   33   29   29   81                                       
CONECT   31   32   32   29                                            
CONECT   32   33   31   31                                            
CONECT   33   34   30   32                                            
CONECT   34   38   39   35   33                                       
CONECT   35   37   37   34   36                                       
CONECT   36   35   82                                                 
CONECT   37   35   35                                                 
CONECT   38   47   34                                                 
CONECT   39   40   34   83   84                                       
CONECT   40   42   41   39   85                                       
CONECT   41   40   86                                                 
CONECT   42   43   47   40   87                                       
CONECT   43   44   42   88                                            
CONECT   44   46   45   45   43                                       
CONECT   45   44   44                                                 
CONECT   46   44   89   90   91                                       
CONECT   47   48   42   38   92                                       
CONECT   48   49   50   47   93                                       
CONECT   49   48   94                                                 
CONECT   50   52   48   51   95                                       
CONECT   51   50   96                                                 
CONECT   52   53   50   97   98                                       
CONECT   53   52   99                                                 
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   30                                                      
CONECT   82   36                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   46                                                      
CONECT   90   46                                                      
CONECT   91   46                                                      
CONECT   92   47                                                      
CONECT   93   48                                                      
CONECT   94   49                                                      
CONECT   95   50                                                      
CONECT   96   51                                                      
CONECT   97   52                                                      
CONECT   98   52                                                      
CONECT   99   53                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
