COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.636   0.356   0.065  1.00  0.00           N  
HETATM    2  N   UNL     1      -3.474   2.361   1.077  1.00  0.00           N1+
HETATM    3  C   UNL     1       4.670   1.387   0.465  1.00  0.00           C  
HETATM    4  C   UNL     1       3.273   0.827   0.381  1.00  0.00           C  
HETATM    5  C   UNL     1       2.712   0.203   1.480  1.00  0.00           C  
HETATM    6  C   UNL     1       1.431  -0.311   1.403  1.00  0.00           C  
HETATM    7  C   UNL     1       0.711  -0.201   0.228  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.019  -0.024   0.547  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.729  -0.593   0.541  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.737  -1.566  -1.761  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.891   0.278   0.039  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.808  -1.601   0.291  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.457  -1.316   0.289  1.00  0.00           C  
HETATM   14  C   UNL     1       1.272   0.423  -0.870  1.00  0.00           C  
HETATM   15  C   UNL     1       5.783  -0.662   1.113  1.00  0.00           C  
HETATM   16  C   UNL     1       8.051  -1.219   0.230  1.00  0.00           C  
HETATM   17  C   UNL     1       7.865  -0.128  -0.828  1.00  0.00           C  
HETATM   18  O   UNL     1       9.133   0.451  -1.144  1.00  0.00           O  
HETATM   19  C   UNL     1       6.932   0.954  -0.279  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.649   0.265   0.544  1.00  0.00           N  
HETATM   21  O   UNL     1       6.205   1.445  -2.531  1.00  0.00           O  
HETATM   22  C   UNL     1       6.728   2.037  -1.341  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.051   3.046   1.903  1.00  0.00           O1-
HETATM   24  N   UNL     1      -7.099  -0.882   0.544  1.00  0.00           N  
HETATM   25  O   UNL     1      -2.513   2.809   0.477  1.00  0.00           O  
HETATM   26  O   UNL     1      -7.281  -0.325  -2.219  1.00  0.00           O  
HETATM   27  O   UNL     1       6.841  -2.773   1.633  1.00  0.00           O  
HETATM   28  O   UNL     1       8.876  -2.260  -0.298  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.684  -0.763   0.145  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.941   0.983   0.802  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.292   0.700   0.799  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.421  -1.954  -0.439  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.220   0.740  -1.266  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.260  -0.343  -0.329  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.949  -1.821  -0.648  1.00  0.00           C  
HETATM   36  C   UNL     1       2.552   0.941  -0.792  1.00  0.00           C  
HETATM   37  C   UNL     1       6.682  -1.793   0.606  1.00  0.00           C  
HETATM   38  H   UNL     1       4.875   1.700   1.488  1.00  0.00           H  
HETATM   39  H   UNL     1       4.757   2.245  -0.202  1.00  0.00           H  
HETATM   40  H   UNL     1       3.274   0.117   2.398  1.00  0.00           H  
HETATM   41  H   UNL     1       0.993  -0.799   2.262  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.916  -2.340  -2.506  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.665  -1.456  -1.598  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.970   1.081   0.772  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.148  -2.608   0.098  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.740  -2.098   0.086  1.00  0.00           H  
HETATM   47  H   UNL     1       0.710   0.508  -1.788  1.00  0.00           H  
HETATM   48  H   UNL     1       6.232  -0.211   1.998  1.00  0.00           H  
HETATM   49  H   UNL     1       4.803  -1.065   1.368  1.00  0.00           H  
HETATM   50  H   UNL     1       8.524  -0.793   1.114  1.00  0.00           H  
HETATM   51  H   UNL     1       7.430  -0.563  -1.728  1.00  0.00           H  
HETATM   52  H   UNL     1       9.777  -0.179  -1.495  1.00  0.00           H  
HETATM   53  H   UNL     1       7.376   1.398   0.612  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.339   1.145   0.807  1.00  0.00           H  
HETATM   55  H   UNL     1       6.051   2.075  -3.249  1.00  0.00           H  
HETATM   56  H   UNL     1       6.026   2.783  -0.968  1.00  0.00           H  
HETATM   57  H   UNL     1       7.683   2.514  -1.561  1.00  0.00           H  
HETATM   58  H   UNL     1       6.011  -3.177   1.923  1.00  0.00           H  
HETATM   59  H   UNL     1       9.035  -2.987   0.320  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.890  -1.075  -0.879  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.771  -1.621   0.811  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.009   1.484   0.994  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.122  -2.942  -0.091  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.744   1.611  -1.658  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.178   0.996  -1.070  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.948  -0.271   0.513  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.678   0.152  -1.206  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.212  -2.050  -1.680  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.484  -2.478   0.037  1.00  0.00           H  
HETATM   70  H   UNL     1       2.988   1.432  -1.649  1.00  0.00           H  
HETATM   71  H   UNL     1       6.227  -2.254  -0.271  1.00  0.00           H  
CONECT    1    3   15   19                                            
CONECT    2   23   25   25   30                                       
CONECT    3    1    4   38   39                                       
CONECT    4    3    5    5   36                                       
CONECT    5    4    4    6   40                                       
CONECT    6    5    7    7   41                                       
CONECT    7    6    6   14   29                                       
CONECT    8   13   13   20   30                                       
CONECT    9   12   12   24   31                                       
CONECT   10   32   42   43   26                                       
CONECT   11   24   33   34   44                                       
CONECT   12    9    9   13   45                                       
CONECT   13    8    8   12   46                                       
CONECT   14    7   36   36   47                                       
CONECT   15    1   37   48   49                                       
CONECT   16   17   28   37   50                                       
CONECT   17   16   18   19   51                                       
CONECT   18   17   52                                                 
CONECT   19    1   17   22   53                                       
CONECT   20    8   29   54                                            
CONECT   21   22   55                                                 
CONECT   22   19   21   56   57                                       
CONECT   23    2                                                      
CONECT   24    9   11   32                                            
CONECT   25    2    2                                                 
CONECT   26   33   10                                                 
CONECT   27   37   58                                                 
CONECT   28   16   59                                                 
CONECT   29    7   20   60   61                                       
CONECT   30    2    8   31   31                                       
CONECT   31    9   30   30   62                                       
CONECT   32   24   35   10   63                                       
CONECT   33   11   26   64   65                                       
CONECT   34   11   35   66   67                                       
CONECT   35   32   34   68   69                                       
CONECT   36    4   14   14   70                                       
CONECT   37   15   16   27   71                                       
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
