COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.729   4.145   0.680  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.666   4.280   1.882  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.738  -1.061  -0.707  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.656  -2.104  -0.678  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.248  -3.382  -0.317  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.930  -3.618   0.013  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.008  -2.574  -0.016  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.420  -1.293  -0.379  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.589  -2.826   0.340  1.00  0.00           C  
HETATM   10  C   UNL     1       0.441  -1.867   0.352  1.00  0.00           C  
HETATM   11  C   UNL     1       1.587  -2.494   0.731  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.994  -1.866  -1.012  1.00  0.00           N  
HETATM   13  C   UNL     1      -6.570  -0.691  -0.692  1.00  0.00           C  
HETATM   14  N   UNL     1      -7.882  -0.496  -0.932  1.00  0.00           N  
HETATM   15  O   UNL     1      -5.906   0.194  -0.186  1.00  0.00           O  
HETATM   16  C   UNL     1      -8.478   0.721  -0.600  1.00  0.00           C  
HETATM   17  N   UNL     1      -9.731   1.053  -0.771  1.00  0.00           N  
HETATM   18  O   UNL     1      -9.948   2.178  -0.383  1.00  0.00           O  
HETATM   19  C   UNL     1      -8.842   2.755   0.109  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.848   1.844  -0.002  1.00  0.00           C  
HETATM   21  N   UNL     1       1.289  -3.802   0.950  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.078  -3.982   0.704  1.00  0.00           N  
HETATM   23  N   UNL     1       2.841  -1.902   0.870  1.00  0.00           N  
HETATM   24  C   UNL     1       2.997  -0.587   0.618  1.00  0.00           C  
HETATM   25  C   UNL     1       4.327   0.041   0.765  1.00  0.00           C  
HETATM   26  O   UNL     1       2.043   0.083   0.271  1.00  0.00           O  
HETATM   27  C   UNL     1       5.424  -0.726   1.158  1.00  0.00           C  
HETATM   28  C   UNL     1       6.663  -0.134   1.293  1.00  0.00           C  
HETATM   29  C   UNL     1       6.818   1.218   1.040  1.00  0.00           C  
HETATM   30  C   UNL     1       5.734   1.984   0.650  1.00  0.00           C  
HETATM   31  C   UNL     1       4.491   1.403   0.505  1.00  0.00           C  
HETATM   32  C   UNL     1       8.174   1.858   1.189  1.00  0.00           C  
HETATM   33  N   UNL     1       8.894   1.785  -0.089  1.00  0.00           N  
HETATM   34  C   UNL     1       9.205   0.392  -0.439  1.00  0.00           C  
HETATM   35  C   UNL     1       9.882   0.353  -1.811  1.00  0.00           C  
HETATM   36  N   UNL     1      11.104   1.169  -1.776  1.00  0.00           N  
HETATM   37  C   UNL     1      10.792   2.562  -1.425  1.00  0.00           C  
HETATM   38  C   UNL     1      10.116   2.601  -0.053  1.00  0.00           C  
HETATM   39  C   UNL     1      12.090   0.601  -0.847  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.246  -4.510  -0.286  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.120   5.168  -0.389  1.00  0.00           C  
HETATM   42  H   UNL     1      -7.702   4.326   0.997  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.388   3.552   2.643  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.585   5.286   2.294  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.693   4.100   1.564  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.057  -0.069  -0.993  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.613  -4.611   0.295  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.706  -0.482  -0.402  1.00  0.00           H  
HETATM   49  H   UNL     1       0.341  -0.821   0.105  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.506  -2.547  -1.475  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.411  -1.201  -1.335  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.814   1.948   0.293  1.00  0.00           H  
HETATM   53  H   UNL     1       1.913  -4.489   1.232  1.00  0.00           H  
HETATM   54  H   UNL     1       3.601  -2.436   1.147  1.00  0.00           H  
HETATM   55  H   UNL     1       5.304  -1.781   1.357  1.00  0.00           H  
HETATM   56  H   UNL     1       7.513  -0.726   1.598  1.00  0.00           H  
HETATM   57  H   UNL     1       5.862   3.038   0.454  1.00  0.00           H  
HETATM   58  H   UNL     1       3.647   2.001   0.196  1.00  0.00           H  
HETATM   59  H   UNL     1       8.053   2.902   1.479  1.00  0.00           H  
HETATM   60  H   UNL     1       8.742   1.331   1.957  1.00  0.00           H  
HETATM   61  H   UNL     1       9.876  -0.030   0.309  1.00  0.00           H  
HETATM   62  H   UNL     1       8.284  -0.190  -0.472  1.00  0.00           H  
HETATM   63  H   UNL     1      10.140  -0.677  -2.060  1.00  0.00           H  
HETATM   64  H   UNL     1       9.201   0.750  -2.564  1.00  0.00           H  
HETATM   65  H   UNL     1      11.714   3.144  -1.393  1.00  0.00           H  
HETATM   66  H   UNL     1      10.122   2.984  -2.174  1.00  0.00           H  
HETATM   67  H   UNL     1       9.858   3.631   0.196  1.00  0.00           H  
HETATM   68  H   UNL     1      10.796   2.204   0.700  1.00  0.00           H  
HETATM   69  H   UNL     1      12.353  -0.407  -1.168  1.00  0.00           H  
HETATM   70  H   UNL     1      12.984   1.225  -0.840  1.00  0.00           H  
HETATM   71  H   UNL     1      11.665   0.563   0.156  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.279  -4.994  -1.262  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.949  -5.237   0.470  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.233  -4.116  -0.043  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.147   4.987  -0.707  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.039   6.174   0.023  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.453   5.072  -1.245  1.00  0.00           H  
CONECT    1    2   41   19   42                                       
CONECT    2    1   43   44   45                                       
CONECT    3    8    8    4   46                                       
CONECT    4    3   12    5    5                                       
CONECT    5    4    4    6   40                                       
CONECT    6    7    7    5   47                                       
CONECT    7    8    9    6    6                                       
CONECT    8    3    3    7   48                                       
CONECT    9   22   22    7   10                                       
CONECT   10    9   11   11   49                                       
CONECT   11   21   10   10   23                                       
CONECT   12   13    4   50                                            
CONECT   13   15   15   14   12                                       
CONECT   14   16   13   51                                            
CONECT   15   13   13                                                 
CONECT   16   20   17   17   14                                       
CONECT   17   18   16   16                                            
CONECT   18   19   17                                                 
CONECT   19    1   18   20   20                                       
CONECT   20   19   19   16   52                                       
CONECT   21   22   11   53                                            
CONECT   22   21    9    9                                            
CONECT   23   11   24   54                                            
CONECT   24   23   26   26   25                                       
CONECT   25   24   27   31   31                                       
CONECT   26   24   24                                                 
CONECT   27   28   28   25   55                                       
CONECT   28   27   27   29   56                                       
CONECT   29   28   32   30   30                                       
CONECT   30   29   29   31   57                                       
CONECT   31   25   25   30   58                                       
CONECT   32   33   29   59   60                                       
CONECT   33   34   38   32                                            
CONECT   34   35   33   61   62                                       
CONECT   35   34   36   63   64                                       
CONECT   36   35   39   37                                            
CONECT   37   36   38   65   66                                       
CONECT   38   33   37   67   68                                       
CONECT   39   36   69   70   71                                       
CONECT   40    5   72   73   74                                       
CONECT   41    1   75   76   77                                       
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
