COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.326   2.073  -0.540  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.653   2.449  -0.609  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.475   0.339  -0.717  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.586   0.952  -1.018  1.00  0.00           N  
HETATM    5  C   UNL     1      -7.151  -0.667   0.411  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.776  -0.703   0.191  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.511  -1.560   0.481  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.821  -1.644   0.788  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.558  -2.499   1.077  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.171  -2.193   0.575  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.706  -2.802  -0.578  1.00  0.00           C  
HETATM   12  N   UNL     1       3.517  -0.450  -0.182  1.00  0.00           N  
HETATM   13  C   UNL     1       0.562  -2.522  -1.046  1.00  0.00           C  
HETATM   14  C   UNL     1       1.375  -1.623  -0.355  1.00  0.00           C  
HETATM   15  C   UNL     1       0.900  -1.012   0.806  1.00  0.00           C  
HETATM   16  N   UNL     1       7.134  -1.113  -0.490  1.00  0.00           N  
HETATM   17  O   UNL     1      -5.212  -2.500   1.560  1.00  0.00           O  
HETATM   18  N   UNL     1      -7.873  -1.508   1.232  1.00  0.00           N  
HETATM   19  N   UNL     1      -7.645   0.349  -0.331  1.00  0.00           N  
HETATM   20  C   UNL     1      -8.991   0.733  -0.402  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.993  -0.226  -0.333  1.00  0.00           C  
HETATM   22  C   UNL     1     -11.318   0.155  -0.403  1.00  0.00           C  
HETATM   23  C   UNL     1     -11.648   1.492  -0.534  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.369  -1.301   1.264  1.00  0.00           C  
HETATM   25  C   UNL     1       2.734  -1.319  -0.851  1.00  0.00           C  
HETATM   26  O   UNL     1       3.145  -1.852  -1.863  1.00  0.00           O  
HETATM   27  C   UNL     1       4.864  -0.148  -0.673  1.00  0.00           C  
HETATM   28  C   UNL     1       5.829  -1.187  -0.163  1.00  0.00           C  
HETATM   29  O   UNL     1       5.431  -2.091   0.542  1.00  0.00           O  
HETATM   30  C   UNL     1       8.072  -2.123   0.006  1.00  0.00           C  
HETATM   31  C   UNL     1       9.273  -2.211  -0.938  1.00  0.00           C  
HETATM   32  C   UNL     1       8.812  -2.723  -2.304  1.00  0.00           C  
HETATM   33  C   UNL     1       8.551  -1.731   1.405  1.00  0.00           C  
HETATM   34  C   UNL     1       7.370  -1.765   2.377  1.00  0.00           C  
HETATM   35  C   UNL     1       5.291   1.233  -0.174  1.00  0.00           C  
HETATM   36  C   UNL     1       4.387   2.301  -0.792  1.00  0.00           C  
HETATM   37  C   UNL     1       4.814   3.683  -0.293  1.00  0.00           C  
HETATM   38  C   UNL     1       4.578   3.776   1.216  1.00  0.00           C  
HETATM   39  C   UNL     1       5.006   5.158   1.715  1.00  0.00           C  
HETATM   40  C   UNL     1       4.184   6.234   1.003  1.00  0.00           C  
HETATM   41  C   UNL     1       4.420   6.141  -0.506  1.00  0.00           C  
HETATM   42  C   UNL     1       3.993   4.759  -1.005  1.00  0.00           C  
HETATM   43  H   UNL     1      -8.549   2.821  -0.599  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.914   3.491  -0.721  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.495   0.582  -1.100  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.200  -0.878  -0.134  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.581  -2.401   2.162  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.829  -3.518   0.799  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.336  -3.498  -1.112  1.00  0.00           H  
HETATM   50  H   UNL     1       3.189  -0.024   0.626  1.00  0.00           H  
HETATM   51  H   UNL     1       0.924  -2.998  -1.945  1.00  0.00           H  
HETATM   52  H   UNL     1       1.524  -0.315   1.346  1.00  0.00           H  
HETATM   53  H   UNL     1       7.452  -0.390  -1.053  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.833  -1.398   1.317  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.420  -2.210   1.725  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.736  -1.270  -0.226  1.00  0.00           H  
HETATM   57  H   UNL     1     -12.098  -0.590  -0.349  1.00  0.00           H  
HETATM   58  H   UNL     1     -12.686   1.788  -0.588  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.740  -0.826   2.161  1.00  0.00           H  
HETATM   60  H   UNL     1       4.863  -0.157  -1.763  1.00  0.00           H  
HETATM   61  H   UNL     1       7.574  -3.091   0.051  1.00  0.00           H  
HETATM   62  H   UNL     1       9.719  -1.223  -1.052  1.00  0.00           H  
HETATM   63  H   UNL     1      10.012  -2.897  -0.523  1.00  0.00           H  
HETATM   64  H   UNL     1       8.073  -2.037  -2.718  1.00  0.00           H  
HETATM   65  H   UNL     1       9.667  -2.785  -2.977  1.00  0.00           H  
HETATM   66  H   UNL     1       8.366  -3.711  -2.190  1.00  0.00           H  
HETATM   67  H   UNL     1       9.315  -2.434   1.738  1.00  0.00           H  
HETATM   68  H   UNL     1       8.970  -0.725   1.378  1.00  0.00           H  
HETATM   69  H   UNL     1       6.606  -1.062   2.044  1.00  0.00           H  
HETATM   70  H   UNL     1       6.950  -2.770   2.405  1.00  0.00           H  
HETATM   71  H   UNL     1       7.711  -1.485   3.374  1.00  0.00           H  
HETATM   72  H   UNL     1       5.207   1.270   0.912  1.00  0.00           H  
HETATM   73  H   UNL     1       6.325   1.421  -0.464  1.00  0.00           H  
HETATM   74  H   UNL     1       4.471   2.265  -1.878  1.00  0.00           H  
HETATM   75  H   UNL     1       3.353   2.114  -0.502  1.00  0.00           H  
HETATM   76  H   UNL     1       5.873   3.834  -0.505  1.00  0.00           H  
HETATM   77  H   UNL     1       3.520   3.625   1.428  1.00  0.00           H  
HETATM   78  H   UNL     1       5.163   3.009   1.723  1.00  0.00           H  
HETATM   79  H   UNL     1       4.837   5.224   2.790  1.00  0.00           H  
HETATM   80  H   UNL     1       6.064   5.309   1.503  1.00  0.00           H  
HETATM   81  H   UNL     1       3.126   6.083   1.214  1.00  0.00           H  
HETATM   82  H   UNL     1       4.489   7.218   1.358  1.00  0.00           H  
HETATM   83  H   UNL     1       3.835   6.908  -1.014  1.00  0.00           H  
HETATM   84  H   UNL     1       5.479   6.292  -0.718  1.00  0.00           H  
HETATM   85  H   UNL     1       4.161   4.693  -2.080  1.00  0.00           H  
HETATM   86  H   UNL     1       2.934   4.608  -0.793  1.00  0.00           H  
CONECT    1   20   20    2   43                                       
CONECT    2    1   23   23   44                                       
CONECT    3    6    4    4   45                                       
CONECT    4    3    3   19                                            
CONECT    5    6    6   19   18                                       
CONECT    6    8    3    5    5                                       
CONECT    7    9    8   46                                            
CONECT    8    7   17   17    6                                       
CONECT    9   10    7   47   48                                       
CONECT   10   11   11   24    9                                       
CONECT   11   13   10   10   49                                       
CONECT   12   27   25   50                                            
CONECT   13   14   14   11   51                                       
CONECT   14   25   13   13   15                                       
CONECT   15   14   24   24   52                                       
CONECT   16   28   30   53                                            
CONECT   17    8    8                                                 
CONECT   18    5   54   55                                            
CONECT   19    4    5   20                                            
CONECT   20   19    1    1   21                                       
CONECT   21   20   22   22   56                                       
CONECT   22   21   21   23   57                                       
CONECT   23    2    2   22   58                                       
CONECT   24   15   15   10   59                                       
CONECT   25   12   26   26   14                                       
CONECT   26   25   25                                                 
CONECT   27   35   28   12   60                                       
CONECT   28   29   29   27   16                                       
CONECT   29   28   28                                                 
CONECT   30   16   33   31   61                                       
CONECT   31   30   32   62   63                                       
CONECT   32   31   64   65   66                                       
CONECT   33   34   30   67   68                                       
CONECT   34   33   69   70   71                                       
CONECT   35   36   27   72   73                                       
CONECT   36   35   37   74   75                                       
CONECT   37   38   36   42   76                                       
CONECT   38   39   37   77   78                                       
CONECT   39   38   40   79   80                                       
CONECT   40   39   41   81   82                                       
CONECT   41   40   42   83   84                                       
CONECT   42   37   41   85   86                                       
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   27                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
