COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       9.602   1.177   2.545  1.00  0.00           O  
HETATM    2  C   UNL     1       9.014   0.561   1.673  1.00  0.00           C  
HETATM    3  N   UNL     1       9.596  -0.490   1.054  1.00  0.00           N  
HETATM    4  C   UNL     1       8.927  -1.175   0.084  1.00  0.00           C  
HETATM    5  N   UNL     1       9.544  -2.238  -0.526  1.00  0.00           N  
HETATM    6  N   UNL     1       7.709  -0.847  -0.283  1.00  0.00           N  
HETATM    7  C   UNL     1       7.069   0.182   0.285  1.00  0.00           C  
HETATM    8  C   UNL     1       7.702   0.925   1.286  1.00  0.00           C  
HETATM    9  N   UNL     1       6.836   1.890   1.680  1.00  0.00           N  
HETATM   10  C   UNL     1       5.737   1.789   0.992  1.00  0.00           C  
HETATM   11  N   UNL     1       5.833   0.745   0.118  1.00  0.00           N  
HETATM   12  C   UNL     1       4.802   0.309  -0.827  1.00  0.00           C  
HETATM   13  C   UNL     1       3.977  -0.829  -0.206  1.00  0.00           C  
HETATM   14  O   UNL     1       4.202  -2.049  -0.915  1.00  0.00           O  
HETATM   15  O   UNL     1       3.919   1.395  -1.113  1.00  0.00           O  
HETATM   16  C   UNL     1       2.571   0.920  -1.163  1.00  0.00           C  
HETATM   17  C   UNL     1       1.631   1.957  -0.545  1.00  0.00           C  
HETATM   18  O   UNL     1       0.317   1.405  -0.440  1.00  0.00           O  
HETATM   19  P   UNL     1      -1.019   2.303  -0.485  1.00  0.00           P  
HETATM   20  O   UNL     1      -2.211   1.459  -1.163  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.743   3.631  -1.351  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.404   2.683   0.892  1.00  0.00           O  
HETATM   23  C   UNL     1       2.510  -0.385  -0.354  1.00  0.00           C  
HETATM   24  O   UNL     1       1.759  -1.373  -1.061  1.00  0.00           O  
HETATM   25  P   UNL     1       0.537  -2.187  -0.400  1.00  0.00           P  
HETATM   26  O   UNL     1       0.851  -2.483   1.016  1.00  0.00           O  
HETATM   27  O   UNL     1       0.315  -3.566  -1.200  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.804  -1.300  -0.478  1.00  0.00           O  
HETATM   29  C   UNL     1      -2.106  -1.868  -0.640  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.042  -0.828  -1.258  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.392  -1.296  -1.204  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.972   0.480  -0.454  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.436   0.936  -0.311  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.652   2.148  -1.037  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.269  -0.205  -0.916  1.00  0.00           C  
HETATM   36  N   UNL     1      -6.292  -0.631   0.041  1.00  0.00           N  
HETATM   37  C   UNL     1      -6.189  -1.664   0.926  1.00  0.00           C  
HETATM   38  N   UNL     1      -7.281  -1.759   1.627  1.00  0.00           N  
HETATM   39  C   UNL     1      -8.152  -0.797   1.239  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.528  -0.061   0.217  1.00  0.00           C  
HETATM   41  N   UNL     1      -8.179   0.955  -0.338  1.00  0.00           N  
HETATM   42  C   UNL     1      -9.395   1.269   0.059  1.00  0.00           C  
HETATM   43  N   UNL     1     -10.024   0.605   1.011  1.00  0.00           N  
HETATM   44  C   UNL     1      -9.449  -0.422   1.628  1.00  0.00           C  
HETATM   45  N   UNL     1     -10.114  -1.109   2.629  1.00  0.00           N  
HETATM   46  H   UNL     1      10.495  -0.758   1.302  1.00  0.00           H  
HETATM   47  H   UNL     1       9.081  -2.735  -1.218  1.00  0.00           H  
HETATM   48  H   UNL     1      10.443  -2.492  -0.266  1.00  0.00           H  
HETATM   49  H   UNL     1       4.876   2.432   1.099  1.00  0.00           H  
HETATM   50  H   UNL     1       5.270  -0.038  -1.748  1.00  0.00           H  
HETATM   51  H   UNL     1       4.232  -0.951   0.847  1.00  0.00           H  
HETATM   52  H   UNL     1       5.120  -2.353  -0.895  1.00  0.00           H  
HETATM   53  H   UNL     1       2.285   0.729  -2.196  1.00  0.00           H  
HETATM   54  H   UNL     1       1.991   2.229   0.447  1.00  0.00           H  
HETATM   55  H   UNL     1       1.603   2.845  -1.178  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.035   4.190  -1.000  1.00  0.00           H  
HETATM   57  H   UNL     1       2.070  -0.203   0.626  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.407  -4.109  -0.856  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.044  -2.737  -1.295  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.493  -2.173   0.333  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.758  -0.642  -2.293  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.536   0.297   0.528  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.689   1.074   0.740  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.558   2.483  -0.982  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.746   0.136  -1.835  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.328  -2.308   1.029  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.897   2.102  -0.413  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.685  -1.859   3.070  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.009  -0.841   2.889  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    8    1    1                                       
CONECT    3    4    2   46                                            
CONECT    4    5    6    6    3                                       
CONECT    5    4   47   48                                            
CONECT    6    4    4    7                                            
CONECT    7    6   11    8    8                                       
CONECT    8    7    7    2    9                                       
CONECT    9    8   10   10                                            
CONECT   10   11    9    9   49                                       
CONECT   11    7   12   10                                            
CONECT   12   13   11   15   50                                       
CONECT   13   14   12   23   51                                       
CONECT   14   13   52                                                 
CONECT   15   12   16                                                 
CONECT   16   15   23   17   53                                       
CONECT   17   16   18   54   55                                       
CONECT   18   17   19                                                 
CONECT   19   18   22   22   20                                       
CONECT   19   21                                                      
CONECT   20   32   19                                                 
CONECT   21   19   56                                                 
CONECT   22   19   19                                                 
CONECT   23   13   24   16   57                                       
CONECT   24   25   23                                                 
CONECT   25   26   26   27   24                                       
CONECT   25   28                                                      
CONECT   26   25   25                                                 
CONECT   27   25   58                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30   59   60                                       
CONECT   30   29   31   32   61                                       
CONECT   31   30   35                                                 
CONECT   32   30   33   20   62                                       
CONECT   33   32   35   34   63                                       
CONECT   34   33   64                                                 
CONECT   35   36   31   33   65                                       
CONECT   36   37   40   35                                            
CONECT   37   38   38   36   66                                       
CONECT   38   37   37   39                                            
CONECT   39   38   44   44   40                                       
CONECT   40   39   36   41   41                                       
CONECT   41   40   40   42                                            
CONECT   42   43   43   41   67                                       
CONECT   43   44   42   42                                            
CONECT   44   45   39   39   43                                       
CONECT   45   44   68   69                                            
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   37                                                      
CONECT   67   42                                                      
CONECT   68   45                                                      
CONECT   69   45                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
