COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.554   1.433  -2.188  1.00  0.00           O  
HETATM    2  C   UNL     1       0.937   0.527  -1.473  1.00  0.00           C  
HETATM    3  C   UNL     1       2.070   0.743  -0.549  1.00  0.00           C  
HETATM    4  C   UNL     1       2.730   1.974  -0.528  1.00  0.00           C  
HETATM    5  C   UNL     1       2.477  -0.278   0.306  1.00  0.00           C  
HETATM    6  C   UNL     1       3.546  -0.070   1.176  1.00  0.00           C  
HETATM    7  C   UNL     1       3.982  -1.152   2.085  1.00  0.00           C  
HETATM    8  N   UNL     1       3.065  -1.914   2.714  1.00  0.00           N  
HETATM    9  C   UNL     1       3.496  -3.036   3.552  1.00  0.00           C  
HETATM   10  C   UNL     1       3.702  -2.551   4.988  1.00  0.00           C  
HETATM   11  C   UNL     1       4.152  -3.723   5.863  1.00  0.00           C  
HETATM   12  C   UNL     1       1.638  -1.620   2.560  1.00  0.00           C  
HETATM   13  C   UNL     1       0.998  -2.667   1.646  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.460  -2.287   1.378  1.00  0.00           C  
HETATM   15  O   UNL     1       5.167  -1.354   2.265  1.00  0.00           O  
HETATM   16  C   UNL     1       4.204   1.161   1.189  1.00  0.00           C  
HETATM   17  C   UNL     1       3.793   2.178   0.340  1.00  0.00           C  
HETATM   18  N   UNL     1       4.451   3.411   0.358  1.00  0.00           N  
HETATM   19  C   UNL     1       3.858   4.338  -0.614  1.00  0.00           C  
HETATM   20  C   UNL     1       4.505   5.717  -0.465  1.00  0.00           C  
HETATM   21  C   UNL     1       6.013   5.596  -0.700  1.00  0.00           C  
HETATM   22  C   UNL     1       6.598   4.588   0.293  1.00  0.00           C  
HETATM   23  C   UNL     1       5.890   3.242   0.122  1.00  0.00           C  
HETATM   24  N   UNL     1       0.325  -0.673  -1.520  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.699  -0.894  -2.427  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.544  -1.793  -3.403  1.00  0.00           C  
HETATM   27  C   UNL     1       0.705  -2.572  -3.497  1.00  0.00           C  
HETATM   28  C   UNL     1       0.703  -3.831  -4.102  1.00  0.00           C  
HETATM   29  C   UNL     1       1.875  -4.554  -4.186  1.00  0.00           C  
HETATM   30  C   UNL     1       3.051  -4.034  -3.674  1.00  0.00           C  
HETATM   31  C   UNL     1       3.060  -2.787  -3.074  1.00  0.00           C  
HETATM   32  C   UNL     1       1.897  -2.051  -2.988  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.987  -0.119  -2.313  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.696   1.276  -2.212  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.747  -0.574  -1.065  1.00  0.00           C  
HETATM   36  N   UNL     1      -4.014   0.162  -0.969  1.00  0.00           N  
HETATM   37  C   UNL     1      -4.827  -0.333   0.150  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.219  -1.789  -0.110  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.017  -0.247   1.446  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.071   0.507   0.279  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.991   0.232   1.272  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.136   1.006   1.390  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.354   2.056   0.509  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.431   2.328  -0.482  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.288   1.557  -0.594  1.00  0.00           C  
HETATM   46  O   UNL     1      -9.042   0.736   2.366  1.00  0.00           O  
HETATM   47  C   UNL     1     -10.198   1.575   2.428  1.00  0.00           C  
HETATM   48  H   UNL     1       2.412   2.768  -1.188  1.00  0.00           H  
HETATM   49  H   UNL     1       1.966  -1.230   0.295  1.00  0.00           H  
HETATM   50  H   UNL     1       2.732  -3.814   3.537  1.00  0.00           H  
HETATM   51  H   UNL     1       4.432  -3.439   3.166  1.00  0.00           H  
HETATM   52  H   UNL     1       4.465  -1.773   5.002  1.00  0.00           H  
HETATM   53  H   UNL     1       2.766  -2.148   5.374  1.00  0.00           H  
HETATM   54  H   UNL     1       5.088  -4.125   5.477  1.00  0.00           H  
HETATM   55  H   UNL     1       4.299  -3.377   6.886  1.00  0.00           H  
HETATM   56  H   UNL     1       3.388  -4.501   5.848  1.00  0.00           H  
HETATM   57  H   UNL     1       1.154  -1.646   3.536  1.00  0.00           H  
HETATM   58  H   UNL     1       1.516  -0.631   2.120  1.00  0.00           H  
HETATM   59  H   UNL     1       1.542  -2.708   0.703  1.00  0.00           H  
HETATM   60  H   UNL     1       1.036  -3.644   2.130  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.930  -3.058   0.767  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.993  -2.200   2.325  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.496  -1.334   0.852  1.00  0.00           H  
HETATM   64  H   UNL     1       5.032   1.322   1.863  1.00  0.00           H  
HETATM   65  H   UNL     1       4.029   3.964  -1.623  1.00  0.00           H  
HETATM   66  H   UNL     1       2.786   4.418  -0.433  1.00  0.00           H  
HETATM   67  H   UNL     1       4.076   6.401  -1.197  1.00  0.00           H  
HETATM   68  H   UNL     1       4.323   6.098   0.540  1.00  0.00           H  
HETATM   69  H   UNL     1       6.196   5.253  -1.718  1.00  0.00           H  
HETATM   70  H   UNL     1       6.484   6.568  -0.554  1.00  0.00           H  
HETATM   71  H   UNL     1       7.664   4.466   0.102  1.00  0.00           H  
HETATM   72  H   UNL     1       6.450   4.951   1.310  1.00  0.00           H  
HETATM   73  H   UNL     1       6.294   2.526   0.837  1.00  0.00           H  
HETATM   74  H   UNL     1       6.051   2.873  -0.891  1.00  0.00           H  
HETATM   75  H   UNL     1       0.601  -1.382  -0.918  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.334  -1.950  -4.123  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.214  -4.238  -4.501  1.00  0.00           H  
HETATM   78  H   UNL     1       1.875  -5.528  -4.653  1.00  0.00           H  
HETATM   79  H   UNL     1       3.965  -4.604  -3.743  1.00  0.00           H  
HETATM   80  H   UNL     1       3.981  -2.388  -2.676  1.00  0.00           H  
HETATM   81  H   UNL     1       1.906  -1.076  -2.523  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.599  -0.300  -3.197  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.182   1.515  -1.429  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.951  -1.642  -1.133  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.143  -0.375  -0.180  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.851   1.155  -0.885  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.319  -2.397  -0.203  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.822  -2.157   0.720  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.796  -1.850  -1.033  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.656   0.772   1.582  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.650  -0.524   2.289  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.168  -0.929   1.390  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.819  -0.586   1.956  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.245   2.660   0.599  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.601   3.145  -1.167  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.566   1.774  -1.367  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.889   2.608   2.592  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.748   1.505   1.489  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.837   1.252   3.249  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   24    1    1    3                                       
CONECT    3    2    5    5    4                                       
CONECT    4    3   17   17   48                                       
CONECT    5    3    3    6   49                                       
CONECT    6    5    7   16   16                                       
CONECT    7    6    8   15   15                                       
CONECT    8   12    7    9                                            
CONECT    9    8   10   50   51                                       
CONECT   10    9   11   52   53                                       
CONECT   11   10   54   55   56                                       
CONECT   12   13    8   57   58                                       
CONECT   13   14   12   59   60                                       
CONECT   14   13   61   62   63                                       
CONECT   15    7    7                                                 
CONECT   16    6    6   17   64                                       
CONECT   17    4    4   16   18                                       
CONECT   18   17   23   19                                            
CONECT   19   18   20   65   66                                       
CONECT   20   19   21   67   68                                       
CONECT   21   22   20   69   70                                       
CONECT   22   23   21   71   72                                       
CONECT   23   18   22   73   74                                       
CONECT   24   25    2   75                                            
CONECT   25   26   26   33   24                                       
CONECT   26   27   25   25   76                                       
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29   77                                       
CONECT   29   28   30   30   78                                       
CONECT   30   29   29   31   79                                       
CONECT   31   32   32   30   80                                       
CONECT   32   27   31   31   81                                       
CONECT   33   34   25   35   82                                       
CONECT   34   33   83                                                 
CONECT   35   33   36   84   85                                       
CONECT   36   35   37   86                                            
CONECT   37   39   36   38   40                                       
CONECT   38   37   87   88   89                                       
CONECT   39   37   90   91   92                                       
CONECT   40   37   45   45   41                                       
CONECT   41   40   42   42   93                                       
CONECT   42   41   41   43   46                                       
CONECT   43   44   44   42   94                                       
CONECT   44   45   43   43   95                                       
CONECT   45   40   40   44   96                                       
CONECT   46   42   47                                                 
CONECT   47   46   97   98   99                                       
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   16                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   26                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   41                                                      
CONECT   94   43                                                      
CONECT   95   44                                                      
CONECT   96   45                                                      
CONECT   97   47                                                      
CONECT   98   47                                                      
CONECT   99   47                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
