COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.481   2.517  -4.309  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.964   1.139  -4.454  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.920   0.805  -3.308  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.469  -0.584  -3.501  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.276  -1.434  -2.658  1.00  0.00           O  
HETATM    6  N   UNL     1      -3.173  -0.883  -4.611  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.707  -2.234  -4.798  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.460  -2.305  -6.128  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.554  -3.240  -4.810  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.663  -2.568  -3.652  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.201   0.873  -2.030  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.718   2.252  -1.885  1.00  0.00           C  
HETATM   13  C   UNL     1       0.237   2.585  -3.031  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.199   0.662  -0.973  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.550   0.891   0.393  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.259   2.281   0.555  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.510   0.439   1.495  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.818   0.558   2.855  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.831   0.289   3.968  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.196   0.571   5.305  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.092  -0.434   6.248  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.509  -0.174   7.474  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.029   1.090   7.758  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.132   2.095   6.815  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.711   1.835   5.587  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.699  -0.448   2.939  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.478  -1.188   2.003  1.00  0.00           O  
HETATM   28  N   UNL     1       0.054  -0.526   4.053  1.00  0.00           N  
HETATM   29  C   UNL     1       1.141  -1.505   4.135  1.00  0.00           C  
HETATM   30  C   UNL     1       1.375  -1.924   5.602  1.00  0.00           C  
HETATM   31  O   UNL     1       0.974  -0.885   6.497  1.00  0.00           O  
HETATM   32  C   UNL     1       2.903  -2.134   5.646  1.00  0.00           C  
HETATM   33  C   UNL     1       3.458  -1.241   4.557  1.00  0.00           C  
HETATM   34  C   UNL     1       4.747  -0.782   4.342  1.00  0.00           C  
HETATM   35  C   UNL     1       5.023   0.035   3.264  1.00  0.00           C  
HETATM   36  C   UNL     1       4.010   0.396   2.395  1.00  0.00           C  
HETATM   37  C   UNL     1       2.724  -0.060   2.608  1.00  0.00           C  
HETATM   38  C   UNL     1       2.445  -0.881   3.686  1.00  0.00           C  
HETATM   39  C   UNL     1       0.516   2.729  -5.367  1.00  0.00           C  
HETATM   40  C   UNL     1       1.482   1.572  -5.384  1.00  0.00           C  
HETATM   41  C   UNL     1       1.220   0.467  -6.172  1.00  0.00           C  
HETATM   42  C   UNL     1       3.254  -0.555  -5.421  1.00  0.00           C  
HETATM   43  C   UNL     1       3.518   0.557  -4.628  1.00  0.00           C  
HETATM   44  C   UNL     1       2.630   1.622  -4.617  1.00  0.00           C  
HETATM   45  O   UNL     1       4.269  -1.454  -5.263  1.00  0.00           O  
HETATM   46  C   UNL     1       4.949  -1.058  -4.058  1.00  0.00           C  
HETATM   47  O   UNL     1       4.698   0.357  -3.973  1.00  0.00           O  
HETATM   48  C   UNL     1       2.103  -0.596  -6.192  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.049   1.196   3.780  1.00  0.00           C  
HETATM   50  H   UNL     1      -1.487   1.035  -5.405  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.117   0.453  -4.431  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.741   1.522  -3.301  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.327  -0.203  -5.285  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.857  -3.311  -6.267  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.281  -1.588  -6.119  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.778  -2.067  -6.945  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.873  -3.002  -5.627  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.018  -3.190  -3.863  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.951  -4.246  -4.950  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.484  -1.851  -3.643  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.060  -3.574  -3.791  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.127  -2.518  -2.704  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.566   2.937  -1.909  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.195   2.355  -0.935  1.00  0.00           H  
HETATM   65  H   UNL     1       0.634   3.591  -2.891  1.00  0.00           H  
HETATM   66  H   UNL     1       1.058   1.869  -3.039  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.577  -0.358  -1.029  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.023   1.362  -1.106  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.626   0.316   0.457  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.108   2.744   0.572  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.798  -0.597   1.324  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.399   1.070   1.484  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.411   1.563   2.969  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.146  -0.753   3.929  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.467  -1.422   6.026  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.429  -0.960   8.211  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.574   1.293   8.716  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.757   3.084   7.036  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.791   2.621   4.850  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.123   0.065   4.801  1.00  0.00           H  
HETATM   81  H   UNL     1       0.910  -2.378   3.524  1.00  0.00           H  
HETATM   82  H   UNL     1       0.849  -2.852   5.828  1.00  0.00           H  
HETATM   83  H   UNL     1       1.145  -1.207   7.393  1.00  0.00           H  
HETATM   84  H   UNL     1       3.298  -1.836   6.617  1.00  0.00           H  
HETATM   85  H   UNL     1       3.148  -3.177   5.442  1.00  0.00           H  
HETATM   86  H   UNL     1       5.538  -1.064   5.020  1.00  0.00           H  
HETATM   87  H   UNL     1       6.029   0.391   3.100  1.00  0.00           H  
HETATM   88  H   UNL     1       4.224   1.036   1.552  1.00  0.00           H  
HETATM   89  H   UNL     1       1.933   0.222   1.929  1.00  0.00           H  
HETATM   90  H   UNL     1       0.013   2.797  -6.332  1.00  0.00           H  
HETATM   91  H   UNL     1       1.059   3.653  -5.173  1.00  0.00           H  
HETATM   92  H   UNL     1       0.323   0.433  -6.773  1.00  0.00           H  
HETATM   93  H   UNL     1       2.835   2.489  -4.007  1.00  0.00           H  
HETATM   94  H   UNL     1       4.529  -1.574  -3.194  1.00  0.00           H  
HETATM   95  H   UNL     1       6.018  -1.253  -4.139  1.00  0.00           H  
HETATM   96  H   UNL     1       1.896  -1.458  -6.808  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.744   2.238   3.879  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.473   1.034   2.790  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.796   0.963   4.539  1.00  0.00           H  
CONECT    1    2   13   39                                            
CONECT    2    1    3   50   51                                       
CONECT    3    2    4   11   52                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   53                                            
CONECT    7    6    8    9   10                                       
CONECT    8    7   54   55   56                                       
CONECT    9    7   57   58   59                                       
CONECT   10    7   60   61   62                                       
CONECT   11    3   12   14                                            
CONECT   12   11   13   63   64                                       
CONECT   13    1   12   65   66                                       
CONECT   14   11   15   67   68                                       
CONECT   15   14   16   17   69                                       
CONECT   16   15   70                                                 
CONECT   17   15   18   71   72                                       
CONECT   18   17   19   26   73                                       
CONECT   19   18   20   49   74                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   75                                       
CONECT   22   21   23   23   76                                       
CONECT   23   22   22   24   77                                       
CONECT   24   23   25   25   78                                       
CONECT   25   20   24   24   79                                       
CONECT   26   18   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   80                                            
CONECT   29   28   30   38   81                                       
CONECT   30   29   31   32   82                                       
CONECT   31   30   83                                                 
CONECT   32   30   33   84   85                                       
CONECT   33   32   34   34   38                                       
CONECT   34   33   33   35   86                                       
CONECT   35   34   36   36   87                                       
CONECT   36   35   35   37   88                                       
CONECT   37   36   38   38   89                                       
CONECT   38   29   33   37   37                                       
CONECT   39    1   40   90   91                                       
CONECT   40   39   41   41   44                                       
CONECT   41   40   40   48   92                                       
CONECT   42   43   45   48   48                                       
CONECT   43   42   44   44   47                                       
CONECT   44   40   43   43   93                                       
CONECT   45   42   46                                                 
CONECT   46   45   47   94   95                                       
CONECT   47   43   46                                                 
CONECT   48   41   42   42   96                                       
CONECT   49   19   97   98   99                                       
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   41                                                      
CONECT   93   44                                                      
CONECT   94   46                                                      
CONECT   95   46                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   49                                                      
CONECT   99   49                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
