COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.962   6.041  -1.628  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.768   5.341  -1.273  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.917   4.164  -0.610  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.181   3.684  -0.303  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.330   2.543   0.340  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.802   3.420  -0.236  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.004   2.226   0.438  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.295   1.816   0.713  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.523   0.519   1.446  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.954   0.484   1.987  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.186  -0.833   2.730  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.197  -0.943   3.893  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.767  -0.908   3.352  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.535   0.409   2.608  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.313  -0.653   0.485  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.910  -0.694   0.065  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.520  -0.044  -1.049  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.344   0.504  -1.751  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.061   0.003  -1.423  1.00  0.00           C  
HETATM   20  N   UNL     1       0.754   0.021  -0.206  1.00  0.00           N  
HETATM   21  C   UNL     1       2.099   0.063  -0.297  1.00  0.00           C  
HETATM   22  O   UNL     1       2.634   0.086  -1.388  1.00  0.00           O  
HETATM   23  N   UNL     1       2.849   0.079   0.823  1.00  0.00           N  
HETATM   24  C   UNL     1       4.237   0.232   0.733  1.00  0.00           C  
HETATM   25  C   UNL     1       4.786   1.032  -0.261  1.00  0.00           C  
HETATM   26  C   UNL     1       6.156   1.185  -0.344  1.00  0.00           C  
HETATM   27  C   UNL     1       6.981   0.542   0.561  1.00  0.00           C  
HETATM   28  N   UNL     1       8.449   0.709   0.470  1.00  0.00           N1+
HETATM   29  C   UNL     1       6.438  -0.255   1.552  1.00  0.00           C  
HETATM   30  C   UNL     1       5.068  -0.412   1.640  1.00  0.00           C  
HETATM   31  C   UNL     1       0.215   1.266  -2.241  1.00  0.00           C  
HETATM   32  C   UNL     1       0.292  -1.231  -2.256  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.033  -2.476  -1.471  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.317  -3.180  -1.447  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.550  -2.972  -2.070  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.583  -3.836  -1.834  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.417  -4.918  -0.981  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.209  -5.141  -0.356  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.144  -4.275  -0.582  1.00  0.00           C  
HETATM   40  N   UNL     1       0.153  -4.228  -0.122  1.00  0.00           N  
HETATM   41  C   UNL     1       0.801  -3.153  -0.666  1.00  0.00           C  
HETATM   42  H   UNL     1      -4.524   6.282  -0.725  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.702   6.962  -2.151  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.572   5.414  -2.278  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.053   4.252  -0.592  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.804   3.764  -0.465  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.162   1.623   0.744  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.104   1.319   2.672  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.658   0.562   1.159  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.205  -0.858   3.116  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.035  -1.668   2.046  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.347  -0.108   4.578  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.362  -1.882   4.423  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.063  -0.986   4.180  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.617  -1.743   2.667  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.516   0.434   2.223  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.685   1.244   3.293  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.569  -1.585   0.987  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.950  -0.524  -0.390  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.261  -1.189   0.589  1.00  0.00           H  
HETATM   61  H   UNL     1       0.327   0.003   0.664  1.00  0.00           H  
HETATM   62  H   UNL     1       2.427  -0.014   1.691  1.00  0.00           H  
HETATM   63  H   UNL     1       4.142   1.533  -0.969  1.00  0.00           H  
HETATM   64  H   UNL     1       6.584   1.806  -1.117  1.00  0.00           H  
HETATM   65  H   UNL     1       7.085  -0.755   2.257  1.00  0.00           H  
HETATM   66  H   UNL     1       4.644  -1.031   2.416  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.036   2.146  -1.648  1.00  0.00           H  
HETATM   68  H   UNL     1       1.271   1.301  -2.512  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.391   1.253  -3.147  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.285  -1.223  -3.180  1.00  0.00           H  
HETATM   71  H   UNL     1       1.356  -1.217  -2.492  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.686  -2.132  -2.734  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.536  -3.674  -2.316  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.243  -5.591  -0.804  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.090  -5.986   0.306  1.00  0.00           H  
HETATM   76  H   UNL     1       0.550  -4.866   0.492  1.00  0.00           H  
HETATM   77  H   UNL     1       1.829  -2.885  -0.472  1.00  0.00           H  
HETATM   78  O   UNL     1       8.929   1.411  -0.402  1.00  0.00           O1-
HETATM   79  O   UNL     1       9.177   0.144   1.266  1.00  0.00           O  
CONECT    1    2   42   43   44                                       
CONECT    2    3    1                                                 
CONECT    3    4    4    6    2                                       
CONECT    4    5    3    3   45                                       
CONECT    5    8    8    4                                            
CONECT    6    7    7    3   46                                       
CONECT    7    8    6    6   47                                       
CONECT    8    9    5    5    7                                       
CONECT    9   15    8   10   14                                       
CONECT   10    9   11   48   49                                       
CONECT   11   10   12   50   51                                       
CONECT   12   13   11   52   53                                       
CONECT   13   14   12   54   55                                       
CONECT   14    9   13   56   57                                       
CONECT   15   16    9   58   59                                       
CONECT   16   17   15   60                                            
CONECT   17   19   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19   32   20   17   31                                       
CONECT   20   21   19   61                                            
CONECT   21   23   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   62                                            
CONECT   24   25   25   30   23                                       
CONECT   25   26   24   24   63                                       
CONECT   26   27   27   25   64                                       
CONECT   27   28   26   26   29                                       
CONECT   28   27   78   79   79                                       
CONECT   29   27   30   30   65                                       
CONECT   30   29   29   24   66                                       
CONECT   31   19   67   68   69                                       
CONECT   32   33   19   70   71                                       
CONECT   33   41   41   34   32                                       
CONECT   34   39   33   35   35                                       
CONECT   35   34   34   36   72                                       
CONECT   36   37   37   35   73                                       
CONECT   37   38   36   36   74                                       
CONECT   38   39   39   37   75                                       
CONECT   39   40   38   38   34                                       
CONECT   40   41   39   76                                            
CONECT   41   40   33   33   77                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   20                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   28                                                      
CONECT   79   28   28                                                 
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
