COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.128   4.896  -0.450  1.00  0.00           N  
HETATM    2  C   UNL     1       2.525  -1.869  -2.060  1.00  0.00           C  
HETATM    3  C   UNL     1       2.038  -0.632  -2.852  1.00  0.00           C  
HETATM    4  N   UNL     1       2.904   2.757  -1.358  1.00  0.00           N  
HETATM    5  C   UNL     1       3.846  -2.002   0.851  1.00  0.00           C  
HETATM    6  O   UNL     1       3.789  -0.026  -1.327  1.00  0.00           O  
HETATM    7  C   UNL     1       3.621   7.110   0.463  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.324   2.400  -1.156  1.00  0.00           O  
HETATM    9  C   UNL     1       2.929   0.518  -2.342  1.00  0.00           C  
HETATM   10  C   UNL     1       3.944  -1.432  -1.615  1.00  0.00           C  
HETATM   11  N   UNL     1       4.356  -2.162  -0.413  1.00  0.00           N  
HETATM   12  C   UNL     1       2.057   1.626  -1.747  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.156   0.056   0.377  1.00  0.00           O  
HETATM   14  C   UNL     1       2.350   3.855  -0.808  1.00  0.00           C  
HETATM   15  O   UNL     1       2.231  -0.828  -4.255  1.00  0.00           O  
HETATM   16  C   UNL     1       2.526   6.087   0.154  1.00  0.00           C  
HETATM   17  N   UNL     1       4.451  -2.822   1.678  1.00  0.00           N  
HETATM   18  N   UNL     1       4.044   9.337   1.390  1.00  0.00           N  
HETATM   19  C   UNL     1       2.993   8.355   1.094  1.00  0.00           C  
HETATM   20  O   UNL     1       1.147   3.908  -0.634  1.00  0.00           O  
HETATM   21  C   UNL     1       5.370  -3.545   1.001  1.00  0.00           C  
HETATM   22  C   UNL     1       6.291  -4.549   1.355  1.00  0.00           C  
HETATM   23  C   UNL     1       6.986  -4.639  -0.844  1.00  0.00           C  
HETATM   24  C   UNL     1       5.322  -3.134  -0.343  1.00  0.00           C  
HETATM   25  C   UNL     1       2.815  -1.076   1.214  1.00  0.00           C  
HETATM   26  C   UNL     1       1.970  -0.317   1.512  1.00  0.00           C  
HETATM   27  C   UNL     1       0.911   0.634   1.885  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.331   1.366   1.334  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.388   1.271   0.233  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.383   0.294  -0.347  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.763   1.753  -0.012  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.421   2.411   0.378  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.483  -1.252   1.317  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.249  -1.887   0.230  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.444  -2.443  -0.256  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.136  -1.291  -2.232  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.535  -1.014  -0.607  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.828  -0.998   1.467  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.286  -1.004   2.902  1.00  0.00           C  
HETATM   40  N   UNL     1      -6.552  -1.991   1.387  1.00  0.00           N  
HETATM   41  N   UNL     1      -9.191  -3.309   0.523  1.00  0.00           N  
HETATM   42  N   UNL     1      -8.841  -2.117  -1.482  1.00  0.00           N  
HETATM   43  N   UNL     1      -7.011  -0.747  -1.819  1.00  0.00           N  
HETATM   44  N   UNL     1       6.384  -4.994   2.662  1.00  0.00           N  
HETATM   45  N   UNL     1       7.069  -5.058   0.406  1.00  0.00           N  
HETATM   46  N   UNL     1       6.141  -3.704  -1.222  1.00  0.00           N  
HETATM   47  N   UNL     1      -0.309   0.332   1.123  1.00  0.00           N  
HETATM   48  N   UNL     1      -5.429  -0.626   0.107  1.00  0.00           N  
HETATM   49  O   UNL     1       2.588  -3.022  -2.902  1.00  0.00           O  
HETATM   50  O   UNL     1      -3.111   3.484  -0.513  1.00  0.00           O  
HETATM   51  O   UNL     1      -1.131  -0.023   3.590  1.00  0.00           O  
HETATM   52  O   UNL     1      -1.867  -2.099   3.417  1.00  0.00           O  
HETATM   53  H   UNL     1       4.087   4.854  -0.589  1.00  0.00           H  
HETATM   54  H   UNL     1       1.886  -2.054  -1.197  1.00  0.00           H  
HETATM   55  H   UNL     1       0.989  -0.429  -2.637  1.00  0.00           H  
HETATM   56  H   UNL     1       3.863   2.715  -1.497  1.00  0.00           H  
HETATM   57  H   UNL     1       4.340   6.675   1.157  1.00  0.00           H  
HETATM   58  H   UNL     1       4.130   7.388  -0.460  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.525   3.335  -1.020  1.00  0.00           H  
HETATM   60  H   UNL     1       3.528   0.914  -3.161  1.00  0.00           H  
HETATM   61  H   UNL     1       4.662  -1.582  -2.421  1.00  0.00           H  
HETATM   62  H   UNL     1       1.534   1.246  -0.870  1.00  0.00           H  
HETATM   63  H   UNL     1       1.331   1.955  -2.490  1.00  0.00           H  
HETATM   64  H   UNL     1       1.738  -1.577  -4.618  1.00  0.00           H  
HETATM   65  H   UNL     1       1.808   6.523  -0.540  1.00  0.00           H  
HETATM   66  H   UNL     1       2.018   5.809   1.077  1.00  0.00           H  
HETATM   67  H   UNL     1       3.654  10.169   1.808  1.00  0.00           H  
HETATM   68  H   UNL     1       4.757   8.936   1.981  1.00  0.00           H  
HETATM   69  H   UNL     1       2.274   8.790   0.400  1.00  0.00           H  
HETATM   70  H   UNL     1       2.484   8.077   2.017  1.00  0.00           H  
HETATM   71  H   UNL     1       7.638  -5.081  -1.584  1.00  0.00           H  
HETATM   72  H   UNL     1       0.704   0.548   2.951  1.00  0.00           H  
HETATM   73  H   UNL     1       1.238   1.649   1.659  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.863   2.351   1.305  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.803   1.218   2.306  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.916   1.307  -0.749  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.219   0.181  -1.419  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.462   1.785   0.824  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.455   2.766   1.408  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.750  -1.146   2.103  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.495  -1.053  -3.223  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.041  -1.741   1.334  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.668  -1.240   0.816  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.891  -3.539   1.416  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.015  -3.687   0.176  1.00  0.00           H  
HETATM   86  H   UNL     1       7.023  -5.687   2.894  1.00  0.00           H  
HETATM   87  H   UNL     1       5.811  -4.614   3.346  1.00  0.00           H  
HETATM   88  H   UNL     1       1.735  -3.280  -3.279  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.760   4.200  -0.507  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.145  -2.055   4.342  1.00  0.00           H  
CONECT    1   16   14   53                                            
CONECT    2   10    3   49   54                                       
CONECT    3    9    2   15   55                                       
CONECT    4   14   12   56                                            
CONECT    5   17   17   25   11                                       
CONECT    6   10    9                                                 
CONECT    7   19   16   57   58                                       
CONECT    8   31   59                                                 
CONECT    9    6   12    3   60                                       
CONECT   10   11    6    2   61                                       
CONECT   11    5   24   10                                            
CONECT   12    4    9   62   63                                       
CONECT   13   30   29                                                 
CONECT   14    1    4   20   20                                       
CONECT   15    3   64                                                 
CONECT   16    7    1   65   66                                       
CONECT   17   21    5    5                                            
CONECT   18   19   67   68                                            
CONECT   19   18    7   69   70                                       
CONECT   20   14   14                                                 
CONECT   21   22   17   24   24                                       
CONECT   22   44   45   45   21                                       
CONECT   23   45   46   46   71                                       
CONECT   24   21   21   46   11                                       
CONECT   25    5   26   26   26                                       
CONECT   26   25   25   25   27                                       
CONECT   27   47   26   72   73                                       
CONECT   28   29   47   74   75                                       
CONECT   29   32   13   28   76                                       
CONECT   30   31   48   13   77                                       
CONECT   31    8   32   30   78                                       
CONECT   32   31   50   29   79                                       
CONECT   33   40   40   48   80                                       
CONECT   34   40   35   35   37                                       
CONECT   35   41   34   34   42                                       
CONECT   36   42   42   43   81                                       
CONECT   37   34   48   43   43                                       
CONECT   38   47   39   82   83                                       
CONECT   39   38   51   51   52                                       
CONECT   40   34   33   33                                            
CONECT   41   35   84   85                                            
CONECT   42   35   36   36                                            
CONECT   43   37   37   36                                            
CONECT   44   22   86   87                                            
CONECT   45   22   22   23                                            
CONECT   46   23   23   24                                            
CONECT   47   28   38   27                                            
CONECT   48   33   37   30                                            
CONECT   49    2   88                                                 
CONECT   50   32   89                                                 
CONECT   51   39   39                                                 
CONECT   52   39   90                                                 
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   23                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   36                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   49                                                      
CONECT   89   50                                                      
CONECT   90   52                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
