COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.550   1.807   1.110  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.991  -4.847  -2.136  1.00  0.00           N  
HETATM    3  O   UNL     1      -7.432   0.632   0.851  1.00  0.00           O  
HETATM    4  C   UNL     1      -8.749   0.551   1.459  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.296  -0.561   0.839  1.00  0.00           N  
HETATM    6  O   UNL     1      -6.957  -1.338   1.733  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.599  -0.398   1.062  1.00  0.00           C  
HETATM    8  N   UNL     1       0.935   1.058   0.153  1.00  0.00           N  
HETATM    9  O   UNL     1      -3.500  -3.177  -2.413  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.216  -0.384   0.463  1.00  0.00           C  
HETATM   11  N   UNL     1       4.188  -0.459   0.079  1.00  0.00           N  
HETATM   12  O   UNL     1      -0.968  -0.450  -0.935  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.478  -1.666   0.854  1.00  0.00           C  
HETATM   14  N   UNL     1       6.352  -1.893   1.474  1.00  0.00           N  
HETATM   15  O   UNL     1       1.531  -1.064   0.414  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.074  -1.652   0.246  1.00  0.00           C  
HETATM   17  O   UNL     1       5.766   0.956  -0.584  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.381  -2.986   0.531  1.00  0.00           C  
HETATM   19  O   UNL     1       7.398  -2.281   1.939  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.109  -4.108  -0.213  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.479  -5.479   0.125  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.465  -5.653  -1.027  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.912  -3.967  -1.707  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.229  -0.062   0.184  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.360   0.978   0.844  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.026   2.366   0.730  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.321   2.990  -0.503  1.00  0.00           C  
HETATM   28  C   UNL     1       1.116   2.429  -0.357  1.00  0.00           C  
HETATM   29  C   UNL     1       1.815   0.046   0.015  1.00  0.00           C  
HETATM   30  C   UNL     1       3.153   0.294  -0.633  1.00  0.00           C  
HETATM   31  C   UNL     1       3.104  -0.162  -2.093  1.00  0.00           C  
HETATM   32  C   UNL     1       2.074   0.674  -2.854  1.00  0.00           C  
HETATM   33  C   UNL     1       4.482   0.022  -2.731  1.00  0.00           C  
HETATM   34  C   UNL     1       5.470  -0.043   0.041  1.00  0.00           C  
HETATM   35  C   UNL     1       6.518  -0.805   0.763  1.00  0.00           C  
HETATM   36  C   UNL     1       7.907  -0.503   0.822  1.00  0.00           C  
HETATM   37  C   UNL     1       8.422  -1.488   1.594  1.00  0.00           C  
HETATM   38  C   UNL     1       9.866  -1.659   1.989  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.324   4.494  -0.424  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.939   5.238  -1.413  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.942   6.618  -1.340  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.330   7.255  -0.277  1.00  0.00           C  
HETATM   43  C   UNL     1       0.284   6.512   0.713  1.00  0.00           C  
HETATM   44  C   UNL     1       0.283   5.131   0.642  1.00  0.00           C  
HETATM   45  H   UNL     1      -9.653   1.883   0.027  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.538   1.746   1.566  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.029   2.687   1.487  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.707  -4.936  -3.059  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.645   0.475   2.541  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.269  -0.329   1.081  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.550  -0.199   1.702  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.291  -0.325  -0.622  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.667   0.479   0.838  1.00  0.00           H  
HETATM   54  H   UNL     1       3.951  -1.256   0.578  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.403  -1.726   1.940  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.028  -2.530   0.479  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.147  -1.503  -0.832  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.346  -2.938   0.193  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.405  -3.186   1.602  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.170  -4.104   0.036  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.972  -5.448   1.089  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.230  -6.269   0.107  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.403  -6.701  -1.319  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.484  -5.285  -0.726  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.207   0.722   1.892  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.097   2.267   0.554  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.834   2.959   1.625  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.782   2.648  -1.430  1.00  0.00           H  
HETATM   69  H   UNL     1       1.686   3.027   0.354  1.00  0.00           H  
HETATM   70  H   UNL     1       1.616   2.410  -1.326  1.00  0.00           H  
HETATM   71  H   UNL     1       3.385   1.358  -0.593  1.00  0.00           H  
HETATM   72  H   UNL     1       2.821  -1.214  -2.136  1.00  0.00           H  
HETATM   73  H   UNL     1       2.399   1.714  -2.883  1.00  0.00           H  
HETATM   74  H   UNL     1       1.979   0.296  -3.872  1.00  0.00           H  
HETATM   75  H   UNL     1       1.109   0.609  -2.351  1.00  0.00           H  
HETATM   76  H   UNL     1       5.216  -0.574  -2.189  1.00  0.00           H  
HETATM   77  H   UNL     1       4.448  -0.303  -3.771  1.00  0.00           H  
HETATM   78  H   UNL     1       4.765   1.074  -2.688  1.00  0.00           H  
HETATM   79  H   UNL     1       8.429   0.322   0.359  1.00  0.00           H  
HETATM   80  H   UNL     1       9.969  -2.546   2.614  1.00  0.00           H  
HETATM   81  H   UNL     1      10.477  -1.774   1.093  1.00  0.00           H  
HETATM   82  H   UNL     1      10.198  -0.782   2.545  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.418   4.740  -2.244  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.422   7.199  -2.114  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.332   8.334  -0.221  1.00  0.00           H  
HETATM   86  H   UNL     1       0.763   7.010   1.544  1.00  0.00           H  
HETATM   87  H   UNL     1       0.760   4.550   1.418  1.00  0.00           H  
CONECT    1    4   45   46   47                                       
CONECT    2   22   23   48                                            
CONECT    3    4    7                                                 
CONECT    4    1    3   49   50                                       
CONECT    5   16   24   51                                            
CONECT    6    7    7                                                 
CONECT    7    3    6    6   10                                       
CONECT    8   25   28   29                                            
CONECT    9   23   23                                                 
CONECT   10    7   13   52   53                                       
CONECT   11   30   34   54                                            
CONECT   12   24   24                                                 
CONECT   13   10   16   55   56                                       
CONECT   14   19   35   35                                            
CONECT   15   29   29                                                 
CONECT   16    5   13   18   57                                       
CONECT   17   34   34                                                 
CONECT   18   16   20   58   59                                       
CONECT   19   14   37                                                 
CONECT   20   18   21   23   60                                       
CONECT   21   20   22   61   62                                       
CONECT   22    2   21   63   64                                       
CONECT   23    2    9    9   20                                       
CONECT   24    5   12   12   25                                       
CONECT   25    8   24   26   65                                       
CONECT   26   25   27   66   67                                       
CONECT   27   26   28   39   68                                       
CONECT   28    8   27   69   70                                       
CONECT   29    8   15   15   30                                       
CONECT   30   11   29   31   71                                       
CONECT   31   30   32   33   72                                       
CONECT   32   31   73   74   75                                       
CONECT   33   31   76   77   78                                       
CONECT   34   11   17   17   35                                       
CONECT   35   14   14   34   36                                       
CONECT   36   35   37   37   79                                       
CONECT   37   19   36   36   38                                       
CONECT   38   37   80   81   82                                       
CONECT   39   27   40   40   44                                       
CONECT   40   39   39   41   83                                       
CONECT   41   40   42   42   84                                       
CONECT   42   41   41   43   85                                       
CONECT   43   42   44   44   86                                       
CONECT   44   39   43   43   87                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   36                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   44                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
