COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.757  -3.185  -0.770  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.401  -4.925   0.896  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.488  -2.806  -0.301  1.00  0.00           N  
HETATM    4  C   UNL     1       1.630  -3.545   0.362  1.00  0.00           C  
HETATM    5  C   UNL     1       3.045  -3.720  -0.116  1.00  0.00           C  
HETATM    6  C   UNL     1       5.266  -2.915  -0.514  1.00  0.00           C  
HETATM    7  C   UNL     1       5.855  -0.520  -0.275  1.00  0.00           C  
HETATM    8  C   UNL     1       0.254   4.160   0.189  1.00  0.00           C  
HETATM    9  C   UNL     1       6.237  -1.921   0.132  1.00  0.00           C  
HETATM   10  C   UNL     1       6.066   0.505   0.541  1.00  0.00           C  
HETATM   11  C   UNL     1       1.116  -4.826   1.008  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.051  -3.538   0.845  1.00  0.00           C  
HETATM   13  C   UNL     1       5.588   1.844   0.158  1.00  0.00           C  
HETATM   14  O   UNL     1       3.927  -2.712   0.008  1.00  0.00           O  
HETATM   15  C   UNL     1       5.624   2.839   1.036  1.00  0.00           C  
HETATM   16  O   UNL     1       3.390  -4.767  -0.612  1.00  0.00           O  
HETATM   17  O   UNL     1       0.352   4.222  -1.018  1.00  0.00           O  
HETATM   18  C   UNL     1       4.888   4.126   0.723  1.00  0.00           C  
HETATM   19  C   UNL     1       3.396   3.873   0.965  1.00  0.00           C  
HETATM   20  C   UNL     1       2.564   5.047   0.449  1.00  0.00           C  
HETATM   21  C   UNL     1       1.166   4.970   1.069  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.686   3.358   0.763  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.589   2.659  -0.172  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.696   1.210   0.232  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.283   0.834   1.308  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.029   2.755  -1.592  1.00  0.00           C  
HETATM   27  C   UNL     1       0.338   2.071  -1.648  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.985   2.063  -2.565  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.270   0.329  -0.644  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.292  -1.094  -0.221  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.607  -1.743  -0.657  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.754  -1.096   0.076  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.169  -1.602   1.294  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.221  -1.010   1.969  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.386   0.006  -0.467  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.441   0.602   0.208  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.860   0.089   1.428  1.00  0.00           C  
HETATM   38  O   UNL     1      -7.064   1.686  -0.324  1.00  0.00           O  
HETATM   39  C   UNL     1      -1.133  -1.791  -0.888  1.00  0.00           C  
HETATM   40  O   UNL     1      -0.776  -1.422  -1.987  1.00  0.00           O  
HETATM   41  H   UNL     1       0.680  -3.949  -1.425  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.657  -5.472  -0.012  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.788  -5.467   1.759  1.00  0.00           H  
HETATM   44  H   UNL     1       1.596  -2.734   1.097  1.00  0.00           H  
HETATM   45  H   UNL     1       5.260  -2.766  -1.594  1.00  0.00           H  
HETATM   46  H   UNL     1       5.590  -3.932  -0.291  1.00  0.00           H  
HETATM   47  H   UNL     1       5.387  -0.359  -1.240  1.00  0.00           H  
HETATM   48  H   UNL     1       6.184  -2.012   1.217  1.00  0.00           H  
HETATM   49  H   UNL     1       7.253  -2.134  -0.203  1.00  0.00           H  
HETATM   50  H   UNL     1       6.580   0.362   1.474  1.00  0.00           H  
HETATM   51  H   UNL     1       1.398  -4.833   2.061  1.00  0.00           H  
HETATM   52  H   UNL     1       1.568  -5.684   0.511  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.128  -3.642   0.721  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.836  -2.998   1.767  1.00  0.00           H  
HETATM   55  H   UNL     1       5.167   2.009  -0.820  1.00  0.00           H  
HETATM   56  H   UNL     1       6.121   2.726   1.988  1.00  0.00           H  
HETATM   57  H   UNL     1       5.239   4.923   1.379  1.00  0.00           H  
HETATM   58  H   UNL     1       5.054   4.404  -0.318  1.00  0.00           H  
HETATM   59  H   UNL     1       3.096   2.963   0.444  1.00  0.00           H  
HETATM   60  H   UNL     1       3.219   3.752   2.033  1.00  0.00           H  
HETATM   61  H   UNL     1       3.040   5.985   0.736  1.00  0.00           H  
HETATM   62  H   UNL     1       2.489   4.993  -0.637  1.00  0.00           H  
HETATM   63  H   UNL     1       0.763   5.976   1.178  1.00  0.00           H  
HETATM   64  H   UNL     1       1.232   4.500   2.050  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.756   3.252   1.725  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.576   3.121  -0.137  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.923   3.803  -1.871  1.00  0.00           H  
HETATM   68  H   UNL     1       0.218   1.003  -1.465  1.00  0.00           H  
HETATM   69  H   UNL     1       0.781   2.223  -2.632  1.00  0.00           H  
HETATM   70  H   UNL     1       0.990   2.499  -0.886  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.010   2.174  -2.209  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.892   2.517  -3.552  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.736   1.003  -2.628  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.641   0.618  -1.492  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.188  -1.159   0.862  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.741  -1.610  -1.730  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.582  -2.808  -0.423  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.671  -2.461   1.719  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.543  -1.407   2.921  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.058   0.404  -1.416  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.681   0.550   1.955  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.812   1.468  -0.896  1.00  0.00           H  
CONECT    1    3    4   41                                            
CONECT    2   12   11   42   43                                       
CONECT    3    1   39   12                                            
CONECT    4    1    5   11   44                                       
CONECT    5   16   16   14    4                                       
CONECT    6    9   14   45   46                                       
CONECT    7   10   10    9   47                                       
CONECT    8   21   22   17   17                                       
CONECT    9    7    6   48   49                                       
CONECT   10   13    7    7   50                                       
CONECT   11    4    2   51   52                                       
CONECT   12    3    2   53   54                                       
CONECT   13   15   15   10   55                                       
CONECT   14    6    5                                                 
CONECT   15   18   13   13   56                                       
CONECT   16    5    5                                                 
CONECT   17    8    8                                                 
CONECT   18   19   15   57   58                                       
CONECT   19   20   18   59   60                                       
CONECT   20   21   19   61   62                                       
CONECT   21   20    8   63   64                                       
CONECT   22    8   23   65                                            
CONECT   23   22   26   24   66                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24                                                 
CONECT   26   27   23   28   67                                       
CONECT   27   26   68   69   70                                       
CONECT   28   26   71   72   73                                       
CONECT   29   24   30   74                                            
CONECT   30   29   31   39   75                                       
CONECT   31   30   32   76   77                                       
CONECT   32   31   33   33   35                                       
CONECT   33   32   32   34   78                                       
CONECT   34   33   37   37   79                                       
CONECT   35   32   36   36   80                                       
CONECT   36   35   35   37   38                                       
CONECT   37   34   34   36   81                                       
CONECT   38   36   82                                                 
CONECT   39   30    3   40   40                                       
CONECT   40   39   39                                                 
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
