COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.247  -0.744   0.272  1.00  0.00           C  
HETATM    2  C   UNL     1       0.331   0.770   0.072  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.168  -2.726  -1.569  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.765  -2.845  -2.167  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.742  -2.260  -1.189  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.339  -2.379  -1.787  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.996  -1.915  -1.391  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.019  -1.331  -0.403  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.998   1.396   0.409  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.259   1.813   1.700  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.478   2.387   2.009  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.437   2.542   1.026  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.177   2.125  -0.266  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.955   1.557  -0.576  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.769   3.161   1.363  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.887   2.160   1.066  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.798   3.532   2.848  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.975   4.421   0.520  1.00  0.00           C  
HETATM   19  C   UNL     1       1.607  -1.356   0.055  1.00  0.00           C  
HETATM   20  C   UNL     1       3.968  -1.576   0.619  1.00  0.00           C  
HETATM   21  C   UNL     1       5.045  -0.615   1.125  1.00  0.00           C  
HETATM   22  C   UNL     1       5.034   0.638   0.288  1.00  0.00           C  
HETATM   23  C   UNL     1       4.236   1.706   0.655  1.00  0.00           C  
HETATM   24  C   UNL     1       4.223   2.857  -0.110  1.00  0.00           C  
HETATM   25  C   UNL     1       5.007   2.943  -1.244  1.00  0.00           C  
HETATM   26  C   UNL     1       5.808   1.873  -1.614  1.00  0.00           C  
HETATM   27  C   UNL     1       6.518   3.173  -3.474  1.00  0.00           C  
HETATM   28  C   UNL     1       5.824   0.721  -0.842  1.00  0.00           C  
HETATM   29  C   UNL     1       4.060  -2.877   1.373  1.00  0.00           C  
HETATM   30  C   UNL     1       5.283  -4.870   2.060  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.358  -1.818  -0.849  1.00  0.00           N  
HETATM   32  N   UNL     1      -0.702  -1.312  -0.688  1.00  0.00           N  
HETATM   33  N   UNL     1       2.645  -0.982   0.830  1.00  0.00           N  
HETATM   34  N   UNL     1       5.193  -3.605   1.326  1.00  0.00           N  
HETATM   35  O   UNL     1      -2.419  -0.879   0.649  1.00  0.00           O  
HETATM   36  O   UNL     1       1.768  -2.184  -0.816  1.00  0.00           O  
HETATM   37  O   UNL     1       6.585   1.957  -2.727  1.00  0.00           O  
HETATM   38  O   UNL     1       3.114  -3.270   2.024  1.00  0.00           O  
HETATM   39  H   UNL     1      -0.090  -0.959   1.286  1.00  0.00           H  
HETATM   40  H   UNL     1       1.101   1.181   0.725  1.00  0.00           H  
HETATM   41  H   UNL     1       0.582   0.986  -0.966  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.398  -1.676  -1.387  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.896  -3.142  -2.265  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.210  -3.275  -0.628  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.535  -3.895  -2.348  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.723  -2.295  -3.107  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.972  -1.211  -1.008  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.784  -2.810  -0.249  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.109  -3.429  -1.969  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.297  -1.830  -2.728  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.938  -1.363  -2.329  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.750  -2.962  -1.570  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.510   1.691   2.469  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.682   2.713   3.018  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.926   2.246  -1.034  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.752   1.231  -1.585  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.741   1.263   1.667  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.850   2.608   1.310  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.867   1.896   0.008  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.001   4.245   3.060  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.761   3.979   3.092  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.651   2.634   3.449  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.954   4.157  -0.538  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.938   4.869   0.764  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.178   5.134   0.731  1.00  0.00           H  
HETATM   66  H   UNL     1       4.117  -1.762  -0.445  1.00  0.00           H  
HETATM   67  H   UNL     1       4.845  -0.360   2.165  1.00  0.00           H  
HETATM   68  H   UNL     1       6.022  -1.093   1.050  1.00  0.00           H  
HETATM   69  H   UNL     1       3.622   1.640   1.541  1.00  0.00           H  
HETATM   70  H   UNL     1       3.598   3.690   0.178  1.00  0.00           H  
HETATM   71  H   UNL     1       4.995   3.842  -1.842  1.00  0.00           H  
HETATM   72  H   UNL     1       5.496   3.333  -3.818  1.00  0.00           H  
HETATM   73  H   UNL     1       6.822   4.007  -2.841  1.00  0.00           H  
HETATM   74  H   UNL     1       7.185   3.109  -4.334  1.00  0.00           H  
HETATM   75  H   UNL     1       6.448  -0.113  -1.128  1.00  0.00           H  
HETATM   76  H   UNL     1       5.134  -4.684   3.124  1.00  0.00           H  
HETATM   77  H   UNL     1       4.515  -5.554   1.699  1.00  0.00           H  
HETATM   78  H   UNL     1       6.267  -5.312   1.903  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.587  -0.864  -0.614  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.383  -1.674  -1.530  1.00  0.00           H  
HETATM   81  H   UNL     1       2.517  -0.320   1.526  1.00  0.00           H  
HETATM   82  H   UNL     1       5.950  -3.292   0.806  1.00  0.00           H  
CONECT    1    2   19   32   39                                       
CONECT    2    9    1   40   41                                       
CONECT    3    4   42   43   44                                       
CONECT    4    3    5   45   46                                       
CONECT    5    4    6   47   48                                       
CONECT    6    5   31   49   50                                       
CONECT    7   31    8   51   52                                       
CONECT    8   32    7   35   35                                       
CONECT    9   14   14   10    2                                       
CONECT   10   11   11    9   53                                       
CONECT   11   12   10   10   54                                       
CONECT   12   15   13   13   11                                       
CONECT   13   12   12   14   55                                       
CONECT   14   13    9    9   56                                       
CONECT   15   17   16   18   12                                       
CONECT   16   15   57   58   59                                       
CONECT   17   15   60   61   62                                       
CONECT   18   15   63   64   65                                       
CONECT   19   36   36   33    1                                       
CONECT   20   21   33   29   66                                       
CONECT   21   22   20   67   68                                       
CONECT   22   28   21   23   23                                       
CONECT   23   22   22   24   69                                       
CONECT   24   25   25   23   70                                       
CONECT   25   26   24   24   71                                       
CONECT   26   37   28   28   25                                       
CONECT   27   37   72   73   74                                       
CONECT   28   26   26   22   75                                       
CONECT   29   20   34   38   38                                       
CONECT   30   34   76   77   78                                       
CONECT   31    6    7   79                                            
CONECT   32    1    8   80                                            
CONECT   33   20   19   81                                            
CONECT   34   30   29   82                                            
CONECT   35    8    8                                                 
CONECT   36   19   19                                                 
CONECT   37   27   26                                                 
CONECT   38   29   29                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
