COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.655  -0.319   1.308  1.00  0.00           C  
HETATM    2  C   UNL     1       0.539  -0.376   0.263  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.817  -0.236   0.957  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.933  -0.292  -0.088  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.290  -0.152   0.605  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.405  -0.209  -0.440  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.762  -0.069   0.254  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.878  -0.126  -0.791  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.234   0.015  -0.097  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.350  -0.042  -1.142  1.00  0.00           C  
HETATM   11  N   UNL     1     -10.652   0.092  -0.476  1.00  0.00           N1+
HETATM   12  C   UNL     1     -10.709   1.378   0.232  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.826  -1.004   0.486  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.724   0.038  -1.480  1.00  0.00           C  
HETATM   15  C   UNL     1       6.686  -0.812  -1.265  1.00  0.00           C  
HETATM   16  C   UNL     1       5.449  -0.707  -0.633  1.00  0.00           C  
HETATM   17  C   UNL     1       4.907   0.568  -0.346  1.00  0.00           C  
HETATM   18  C   UNL     1       5.620   1.713  -0.700  1.00  0.00           C  
HETATM   19  C   UNL     1       6.846   1.583  -1.327  1.00  0.00           C  
HETATM   20  C   UNL     1       7.371   0.320  -1.605  1.00  0.00           C  
HETATM   21  C   UNL     1       3.602   0.640   0.316  1.00  0.00           C  
HETATM   22  N   UNL     1       2.954  -0.453   0.644  1.00  0.00           N1+
HETATM   23  C   UNL     1       3.418  -1.688   0.396  1.00  0.00           C  
HETATM   24  C   UNL     1       4.665  -1.884  -0.242  1.00  0.00           C  
HETATM   25  C   UNL     1       2.665  -2.811   0.772  1.00  0.00           C  
HETATM   26  C   UNL     1       3.149  -4.078   0.515  1.00  0.00           C  
HETATM   27  C   UNL     1       4.382  -4.255  -0.117  1.00  0.00           C  
HETATM   28  C   UNL     1       5.130  -3.176  -0.490  1.00  0.00           C  
HETATM   29  C   UNL     1       3.009   1.962   0.622  1.00  0.00           C  
HETATM   30  C   UNL     1       2.742   2.866  -0.407  1.00  0.00           C  
HETATM   31  C   UNL     1       2.190   4.096  -0.115  1.00  0.00           C  
HETATM   32  C   UNL     1       1.900   4.434   1.195  1.00  0.00           C  
HETATM   33  C   UNL     1       2.163   3.542   2.220  1.00  0.00           C  
HETATM   34  C   UNL     1       2.709   2.307   1.940  1.00  0.00           C  
HETATM   35  N   UNL     1       7.566   2.725  -1.684  1.00  0.00           N  
HETATM   36  N   UNL     1       2.398  -5.194   0.889  1.00  0.00           N  
HETATM   37  H   UNL     1       1.612   0.635   1.833  1.00  0.00           H  
HETATM   38  H   UNL     1       1.526  -1.133   2.022  1.00  0.00           H  
HETATM   39  H   UNL     1       0.581  -1.330  -0.262  1.00  0.00           H  
HETATM   40  H   UNL     1       0.668   0.438  -0.451  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.860   0.719   1.482  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.946  -1.049   1.670  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.891  -1.247  -0.614  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.804   0.521  -0.802  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.332   0.802   1.131  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.418  -0.966   1.319  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.363  -1.163  -0.965  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.277   0.605  -1.153  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.804   0.885   0.779  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.891  -0.883   0.968  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.835  -1.080  -1.316  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.749   0.688  -1.505  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.277   0.969   0.428  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.363  -0.799   0.617  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.308  -0.996  -1.668  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.221   0.771  -1.856  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.915   1.419   0.976  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.581   2.192  -0.482  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.676   1.478   0.726  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.792  -0.904   0.980  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.783  -1.958  -0.040  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.031  -0.964   1.230  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.595   0.852  -2.193  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.681  -0.916  -2.005  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.690   0.138  -0.985  1.00  0.00           H  
HETATM   66  H   UNL     1       7.102  -1.784  -1.485  1.00  0.00           H  
HETATM   67  H   UNL     1       5.219   2.693  -0.487  1.00  0.00           H  
HETATM   68  H   UNL     1       8.330   0.236  -2.095  1.00  0.00           H  
HETATM   69  H   UNL     1       1.711  -2.685   1.261  1.00  0.00           H  
HETATM   70  H   UNL     1       4.747  -5.253  -0.311  1.00  0.00           H  
HETATM   71  H   UNL     1       6.082  -3.323  -0.978  1.00  0.00           H  
HETATM   72  H   UNL     1       2.968   2.603  -1.430  1.00  0.00           H  
HETATM   73  H   UNL     1       1.983   4.796  -0.910  1.00  0.00           H  
HETATM   74  H   UNL     1       1.468   5.398   1.419  1.00  0.00           H  
HETATM   75  H   UNL     1       1.936   3.813   3.241  1.00  0.00           H  
HETATM   76  H   UNL     1       2.914   1.612   2.741  1.00  0.00           H  
HETATM   77  H   UNL     1       8.426   2.639  -2.124  1.00  0.00           H  
HETATM   78  H   UNL     1       7.205   3.605  -1.493  1.00  0.00           H  
HETATM   79  H   UNL     1       1.541  -5.077   1.328  1.00  0.00           H  
HETATM   80  H   UNL     1       2.734  -6.086   0.710  1.00  0.00           H  
CONECT    1    2   22   37   38                                       
CONECT    2    1    3   39   40                                       
CONECT    3    2    4   41   42                                       
CONECT    4    3    5   43   44                                       
CONECT    5    4    6   45   46                                       
CONECT    6    5    7   47   48                                       
CONECT    7    6    8   49   50                                       
CONECT    8    7    9   51   52                                       
CONECT    9    8   10   53   54                                       
CONECT   10    9   11   55   56                                       
CONECT   11   10   12   13   14                                       
CONECT   12   11   57   58   59                                       
CONECT   13   11   60   61   62                                       
CONECT   14   11   63   64   65                                       
CONECT   15   16   16   20   66                                       
CONECT   16   15   15   17   24                                       
CONECT   17   16   18   18   21                                       
CONECT   18   17   17   19   67                                       
CONECT   19   18   20   20   35                                       
CONECT   20   15   19   19   68                                       
CONECT   21   17   22   22   29                                       
CONECT   22    1   21   21   23                                       
CONECT   23   22   24   24   25                                       
CONECT   24   16   23   23   28                                       
CONECT   25   23   26   26   69                                       
CONECT   26   25   25   27   36                                       
CONECT   27   26   28   28   70                                       
CONECT   28   24   27   27   71                                       
CONECT   29   21   30   30   34                                       
CONECT   30   29   29   31   72                                       
CONECT   31   30   32   32   73                                       
CONECT   32   31   31   33   74                                       
CONECT   33   32   34   34   75                                       
CONECT   34   29   33   33   76                                       
CONECT   35   19   77   78                                            
CONECT   36   26   79   80                                            
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   18                                                      
CONECT   68   20                                                      
CONECT   69   25                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
