COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.885   2.735   0.582  1.00  0.00           C  
HETATM    2  C   UNL     1       2.374  -0.914   0.993  1.00  0.00           C  
HETATM    3  C   UNL     1       1.098  -0.910   1.563  1.00  0.00           C  
HETATM    4  N   UNL     1       0.376   2.669   1.668  1.00  0.00           N  
HETATM    5  N   UNL     1       2.237   3.874   0.901  1.00  0.00           N  
HETATM    6  C   UNL     1       1.003   3.837   1.434  1.00  0.00           C  
HETATM    7  C   UNL     1       2.258   1.500   0.814  1.00  0.00           C  
HETATM    8  C   UNL     1       0.995   1.480   1.367  1.00  0.00           C  
HETATM    9  C   UNL     1       0.745  -4.524   2.602  1.00  0.00           C  
HETATM   10  C   UNL     1       3.378  -4.528   1.421  1.00  0.00           C  
HETATM   11  C   UNL     1       7.643  -0.442  -3.617  1.00  0.00           C  
HETATM   12  C   UNL     1       6.367  -0.871  -3.931  1.00  0.00           C  
HETATM   13  C   UNL     1       7.986  -0.201  -2.300  1.00  0.00           C  
HETATM   14  C   UNL     1       5.432  -1.052  -2.929  1.00  0.00           C  
HETATM   15  C   UNL     1       7.053  -0.387  -1.297  1.00  0.00           C  
HETATM   16  C   UNL     1       0.574  -2.082   2.083  1.00  0.00           C  
HETATM   17  C   UNL     1       3.110  -2.085   0.948  1.00  0.00           C  
HETATM   18  C   UNL     1       4.756  -1.007  -0.519  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.633  -0.088  -0.126  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.074   0.252   1.890  1.00  0.00           C  
HETATM   21  C   UNL     1       4.007   0.280  -0.285  1.00  0.00           C  
HETATM   22  C   UNL     1       1.315  -3.250   2.035  1.00  0.00           C  
HETATM   23  C   UNL     1       2.579  -3.251   1.470  1.00  0.00           C  
HETATM   24  C   UNL     1       5.773  -0.804  -1.612  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.133  -0.057  -0.427  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.854   0.113   0.581  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.353   0.082   0.882  1.00  0.00           C  
HETATM   28  N   UNL     1       2.905   0.287   0.490  1.00  0.00           N  
HETATM   29  N   UNL     1       0.363   0.282   1.601  1.00  0.00           N  
HETATM   30  O   UNL     1       0.443   4.880   1.712  1.00  0.00           O  
HETATM   31  O   UNL     1       4.002   2.777   0.093  1.00  0.00           O  
HETATM   32  O   UNL     1       4.397   1.310  -0.794  1.00  0.00           O  
HETATM   33  O   UNL     1      -8.423  -0.846  -2.876  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.841   1.055  -1.276  1.00  0.00           O  
HETATM   35  O   UNL     1      -1.561   1.225  -0.268  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.645  -1.030   1.731  1.00  0.00           O  
HETATM   37  O   UNL     1      -8.601   0.995  -1.007  1.00  0.00           O  
HETATM   38  O   UNL     1      -8.428  -1.455  -0.426  1.00  0.00           O  
HETATM   39  O   UNL     1      -6.356  -0.335  -1.334  1.00  0.00           O  
HETATM   40  P   UNL     1      -7.962  -0.433  -1.390  1.00  0.00           P  
HETATM   41  H   UNL     1      -0.516   2.667   2.051  1.00  0.00           H  
HETATM   42  H   UNL     1       2.666   4.730   0.743  1.00  0.00           H  
HETATM   43  H   UNL     1       0.197  -5.055   1.823  1.00  0.00           H  
HETATM   44  H   UNL     1       1.556  -5.154   2.968  1.00  0.00           H  
HETATM   45  H   UNL     1       0.070  -4.287   3.424  1.00  0.00           H  
HETATM   46  H   UNL     1       3.982  -4.613   2.325  1.00  0.00           H  
HETATM   47  H   UNL     1       2.700  -5.379   1.355  1.00  0.00           H  
HETATM   48  H   UNL     1       4.031  -4.515   0.548  1.00  0.00           H  
HETATM   49  H   UNL     1       8.373  -0.300  -4.400  1.00  0.00           H  
HETATM   50  H   UNL     1       6.100  -1.063  -4.960  1.00  0.00           H  
HETATM   51  H   UNL     1       8.983   0.134  -2.054  1.00  0.00           H  
HETATM   52  H   UNL     1       4.435  -1.386  -3.174  1.00  0.00           H  
HETATM   53  H   UNL     1       7.321  -0.198  -0.268  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.411  -2.085   2.526  1.00  0.00           H  
HETATM   55  H   UNL     1       4.095  -2.088   0.506  1.00  0.00           H  
HETATM   56  H   UNL     1       5.263  -1.304   0.398  1.00  0.00           H  
HETATM   57  H   UNL     1       4.054  -1.786  -0.816  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.843  -0.882   0.591  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.940   0.870   0.292  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.363   1.176   2.389  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.296  -0.596   2.537  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.844  -0.981  -0.927  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.564  -0.811   0.081  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.643   1.006   1.381  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.381  -0.924  -2.983  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.074   1.913  -0.895  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.794   2.083   0.113  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.413  -1.888   1.349  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.338   1.714  -1.598  1.00  0.00           H  
CONECT    1    5    7   31   31                                       
CONECT    2    3    3   28   17                                       
CONECT    3   29   16    2    2                                       
CONECT    4    6    8   41                                            
CONECT    5    6    1   42                                            
CONECT    6   30   30    4    5                                       
CONECT    7    8    8    1   28                                       
CONECT    8    4   29    7    7                                       
CONECT    9   22   43   44   45                                       
CONECT   10   23   46   47   48                                       
CONECT   11   13   12   12   49                                       
CONECT   12   11   11   14   50                                       
CONECT   13   15   15   11   51                                       
CONECT   14   24   24   12   52                                       
CONECT   15   13   13   24   53                                       
CONECT   16    3   22   22   54                                       
CONECT   17    2   23   23   55                                       
CONECT   18   24   21   56   57                                       
CONECT   19   25   39   58   59                                       
CONECT   20   26   29   60   61                                       
CONECT   21   18   28   32   32                                       
CONECT   22   16   16    9   23                                       
CONECT   23   22   17   17   10                                       
CONECT   24   15   18   14   14                                       
CONECT   25   27   19   34   62                                       
CONECT   26   35   27   20   63                                       
CONECT   27   36   26   25   64                                       
CONECT   28    7   21    2                                            
CONECT   29   20    8    3                                            
CONECT   30    6    6                                                 
CONECT   31    1    1                                                 
CONECT   32   21   21                                                 
CONECT   33   40   65                                                 
CONECT   34   25   66                                                 
CONECT   35   26   67                                                 
CONECT   36   27   68                                                 
CONECT   37   40   69                                                 
CONECT   38   40   40                                                 
CONECT   39   19   40                                                 
CONECT   40   39   38   38   33                                       
CONECT   40   37                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
