COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.199   0.648   5.561  1.00  0.00           C  
HETATM    2  C   UNL     1       1.838  -0.123   3.293  1.00  0.00           C  
HETATM    3  O   UNL     1       2.183   0.943   2.832  1.00  0.00           O  
HETATM    4  C   UNL     1       1.979  -0.401   4.768  1.00  0.00           C  
HETATM    5  N   UNL     1       1.317  -1.091   2.486  1.00  0.00           N  
HETATM    6  C   UNL     1       1.206  -0.747   1.052  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.185  -1.080   0.580  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.442  -2.199   0.189  1.00  0.00           O  
HETATM    9  C   UNL     1       2.229  -1.554   0.251  1.00  0.00           C  
HETATM   10  C   UNL     1       3.621  -1.141   0.654  1.00  0.00           C  
HETATM   11  O   UNL     1       3.779  -0.286   1.499  1.00  0.00           O  
HETATM   12  N   UNL     1       4.691  -1.722   0.075  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.146  -0.135   0.591  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.502  -0.451   0.134  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.517   0.208   1.072  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.886   0.398   2.428  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.658  -0.696   3.240  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.074  -0.528   4.481  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.535   1.665   2.856  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.950   1.838   4.096  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.716   0.740   4.911  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.136   0.908   6.128  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.035  -0.001   6.190  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.699   0.080  -1.286  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.968  -0.349  -1.784  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.588  -0.458  -2.190  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.783   0.043  -3.557  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.524  -0.188  -4.273  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.651   0.306  -5.715  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.758  -0.482  -6.422  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.054  -0.351  -5.615  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.801  -0.811  -4.178  1.00  0.00           C  
HETATM   33  C   UNL     1       0.588   0.559  -3.583  1.00  0.00           C  
HETATM   34  O   UNL     1       0.327   1.423  -2.774  1.00  0.00           O  
HETATM   35  C   UNL     1       2.951   1.079  -3.299  1.00  0.00           C  
HETATM   36  C   UNL     1       4.297   0.586  -3.834  1.00  0.00           C  
HETATM   37  C   UNL     1       2.933   0.958  -1.774  1.00  0.00           C  
HETATM   38  C   UNL     1       2.750   2.543  -3.697  1.00  0.00           C  
HETATM   39  N   UNL     1       1.873   0.266  -3.866  1.00  0.00           N  
HETATM   40  H   UNL     1       0.886   1.451   4.893  1.00  0.00           H  
HETATM   41  H   UNL     1       1.834   1.056   6.347  1.00  0.00           H  
HETATM   42  H   UNL     1       3.032  -0.358   5.046  1.00  0.00           H  
HETATM   43  H   UNL     1       1.585  -1.392   4.990  1.00  0.00           H  
HETATM   44  H   UNL     1       1.036  -1.953   2.832  1.00  0.00           H  
HETATM   45  H   UNL     1       1.393   0.317   0.917  1.00  0.00           H  
HETATM   46  H   UNL     1       2.092  -2.616   0.452  1.00  0.00           H  
HETATM   47  H   UNL     1       2.088  -1.365  -0.812  1.00  0.00           H  
HETATM   48  H   UNL     1       5.587  -1.456   0.334  1.00  0.00           H  
HETATM   49  H   UNL     1       4.564  -2.406  -0.600  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.940   0.759   0.904  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.647  -1.531   0.143  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.811   1.177   0.668  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.396  -0.430   1.165  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.937  -1.684   2.905  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.897  -1.384   5.115  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.718   2.519   2.221  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.677   2.828   4.430  1.00  0.00           H  
HETATM   58  H   UNL     1       0.174  -0.248   7.230  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.285  -0.910   5.643  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.663   1.169  -1.275  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.958  -1.316  -1.777  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.619  -1.547  -2.195  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.621  -0.124  -1.815  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.298  -1.254  -4.273  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.902   1.366  -5.716  1.00  0.00           H  
HETATM   66  H   UNL     1       0.293   0.154  -6.237  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.909  -0.080  -7.424  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.473  -1.532  -6.487  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.377   0.689  -5.613  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.827  -0.972  -6.066  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.727  -0.744  -3.608  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.454  -1.844  -4.184  1.00  0.00           H  
HETATM   73  H   UNL     1       5.100   1.191  -3.412  1.00  0.00           H  
HETATM   74  H   UNL     1       4.441  -0.455  -3.551  1.00  0.00           H  
HETATM   75  H   UNL     1       4.310   0.673  -4.921  1.00  0.00           H  
HETATM   76  H   UNL     1       3.009  -0.091  -1.492  1.00  0.00           H  
HETATM   77  H   UNL     1       3.776   1.509  -1.356  1.00  0.00           H  
HETATM   78  H   UNL     1       2.002   1.372  -1.388  1.00  0.00           H  
HETATM   79  H   UNL     1       2.763   2.629  -4.783  1.00  0.00           H  
HETATM   80  H   UNL     1       1.791   2.894  -3.316  1.00  0.00           H  
HETATM   81  H   UNL     1       3.552   3.148  -3.275  1.00  0.00           H  
HETATM   82  H   UNL     1       2.083  -0.482  -4.446  1.00  0.00           H  
CONECT    1    4   23   40   41                                       
CONECT    2    3    3    4    5                                       
CONECT    3    2    2                                                 
CONECT    4    1    2   42   43                                       
CONECT    5    2    6   44                                            
CONECT    6    5    7    9   45                                       
CONECT    7    6    8    8   13                                       
CONECT    8    7    7                                                 
CONECT    9    6   10   46   47                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   48   49                                            
CONECT   13    7   14   50                                            
CONECT   14   13   15   24   51                                       
CONECT   15   14   16   52   53                                       
CONECT   16   15   17   19   19                                       
CONECT   17   16   18   18   54                                       
CONECT   18   17   17   21   55                                       
CONECT   19   16   16   20   56                                       
CONECT   20   19   21   21   57                                       
CONECT   21   18   20   20   22                                       
CONECT   22   21   23                                                 
CONECT   23    1   22   58   59                                       
CONECT   24   14   25   26   60                                       
CONECT   25   24   61                                                 
CONECT   26   24   27   62   63                                       
CONECT   27   26   28   32                                            
CONECT   28   27   29   33   64                                       
CONECT   29   28   30   65   66                                       
CONECT   30   29   31   67   68                                       
CONECT   31   30   32   69   70                                       
CONECT   32   27   31   71   72                                       
CONECT   33   28   34   34   39                                       
CONECT   34   33   33                                                 
CONECT   35   36   37   38   39                                       
CONECT   36   35   73   74   75                                       
CONECT   37   35   76   77   78                                       
CONECT   38   35   79   80   81                                       
CONECT   39   33   35   82                                            
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
