COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.581  -0.339   1.405  1.00  0.00           O  
HETATM    2  C   UNL     1       6.490   0.263   0.353  1.00  0.00           C  
HETATM    3  O   UNL     1       7.603   0.612  -0.320  1.00  0.00           O  
HETATM    4  C   UNL     1       8.875   0.235   0.269  1.00  0.00           C  
HETATM    5  C   UNL     1       8.941  -1.286   0.412  1.00  0.00           C  
HETATM    6  C   UNL     1      10.016   0.713  -0.632  1.00  0.00           C  
HETATM    7  C   UNL     1       9.010   0.883   1.649  1.00  0.00           C  
HETATM    8  N   UNL     1       5.277   0.577  -0.142  1.00  0.00           N  
HETATM    9  C   UNL     1       4.066   0.192   0.588  1.00  0.00           C  
HETATM   10  C   UNL     1       2.913   0.081  -0.375  1.00  0.00           C  
HETATM   11  O   UNL     1       3.085   0.301  -1.555  1.00  0.00           O  
HETATM   12  C   UNL     1       3.748   1.253   1.644  1.00  0.00           C  
HETATM   13  N   UNL     1       1.690  -0.264   0.074  1.00  0.00           N  
HETATM   14  C   UNL     1       0.569  -0.372  -0.862  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.726  -0.155  -0.123  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.766  -0.285   1.082  1.00  0.00           O  
HETATM   17  C   UNL     1       0.567  -1.765  -1.496  1.00  0.00           C  
HETATM   18  C   UNL     1       1.826  -1.939  -2.348  1.00  0.00           C  
HETATM   19  C   UNL     1       0.545  -2.826  -0.395  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.841   0.184  -0.801  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.074   0.495  -0.074  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.709   1.756  -0.663  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.997   2.081   0.096  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.632   3.342  -0.493  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.920   3.667   0.266  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.530   4.878  -0.299  1.00  0.00           N1+
HETATM   27  B   UNL     1      -4.076  -0.706  -0.207  1.00  0.00           B  
HETATM   28  O   UNL     1      -3.709  -1.859  -0.950  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.158  -1.802   0.214  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.350  -0.640   0.417  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.500  -1.621   0.927  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.365  -2.864   0.709  1.00  0.00           C  
HETATM   33  O   UNL     1      -9.618  -2.695   1.375  1.00  0.00           O  
HETATM   34  H   UNL     1       8.845  -1.748  -0.571  1.00  0.00           H  
HETATM   35  H   UNL     1       9.897  -1.569   0.854  1.00  0.00           H  
HETATM   36  H   UNL     1       8.129  -1.627   1.054  1.00  0.00           H  
HETATM   37  H   UNL     1       9.969   1.797  -0.734  1.00  0.00           H  
HETATM   38  H   UNL     1      10.971   0.431  -0.190  1.00  0.00           H  
HETATM   39  H   UNL     1       9.920   0.252  -1.615  1.00  0.00           H  
HETATM   40  H   UNL     1       8.198   0.543   2.291  1.00  0.00           H  
HETATM   41  H   UNL     1       9.965   0.601   2.091  1.00  0.00           H  
HETATM   42  H   UNL     1       8.963   1.967   1.547  1.00  0.00           H  
HETATM   43  H   UNL     1       5.205   1.058  -0.981  1.00  0.00           H  
HETATM   44  H   UNL     1       4.226  -0.769   1.076  1.00  0.00           H  
HETATM   45  H   UNL     1       3.588   2.215   1.156  1.00  0.00           H  
HETATM   46  H   UNL     1       2.848   0.967   2.187  1.00  0.00           H  
HETATM   47  H   UNL     1       4.582   1.334   2.341  1.00  0.00           H  
HETATM   48  H   UNL     1       1.552  -0.440   1.018  1.00  0.00           H  
HETATM   49  H   UNL     1       0.673   0.382  -1.642  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.316  -1.876  -2.126  1.00  0.00           H  
HETATM   51  H   UNL     1       2.704  -1.936  -1.703  1.00  0.00           H  
HETATM   52  H   UNL     1       1.773  -2.886  -2.885  1.00  0.00           H  
HETATM   53  H   UNL     1       1.898  -1.119  -3.063  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.352  -2.702   0.212  1.00  0.00           H  
HETATM   55  H   UNL     1       0.544  -3.819  -0.847  1.00  0.00           H  
HETATM   56  H   UNL     1       1.428  -2.715   0.235  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.826   0.222  -1.770  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.844   0.661   0.978  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.013   2.590  -0.571  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.939   1.590  -1.715  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.693   1.247   0.004  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.767   2.247   1.148  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.936   4.176  -0.401  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.862   3.175  -1.545  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.616   2.833   0.174  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.690   3.833   1.319  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.379   5.092   0.201  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.886   5.650  -0.214  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.743   4.724  -1.273  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.391  -2.545  -0.975  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.329  -1.943  -0.853  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.647  -2.675   0.619  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.328  -1.479   1.994  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.011  -0.747   0.522  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.536  -3.005  -0.358  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.853  -3.737   1.114  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.218  -3.447   1.279  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    6    7                                       
CONECT    5    4   34   35   36                                       
CONECT    6    4   37   38   39                                       
CONECT    7    4   40   41   42                                       
CONECT    8    9   43    2                                            
CONECT    9    8   10   12   44                                       
CONECT   10    9   11   11   13                                       
CONECT   11   10   10                                                 
CONECT   12    9   45   46   47                                       
CONECT   13   14   48   10                                            
CONECT   14   13   15   17   49                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   19   50                                       
CONECT   18   17   51   52   53                                       
CONECT   19   17   54   55   56                                       
CONECT   20   21   57   15                                            
CONECT   21   20   22   27   58                                       
CONECT   22   21   23   59   60                                       
CONECT   23   22   24   61   62                                       
CONECT   24   23   25   63   64                                       
CONECT   25   24   26   65   66                                       
CONECT   26   25   67   68   69                                       
CONECT   27   21   28   30                                            
CONECT   28   27   70                                                 
CONECT   29   30   31   71   72                                       
CONECT   30   29   27                                                 
CONECT   31   29   32   73   74                                       
CONECT   32   31   33   75   76                                       
CONECT   33   32   77                                                 
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
