COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.494  -0.252   0.079  1.00  0.00           C  
HETATM    2  C   UNL     1       2.114  -1.650   0.016  1.00  0.00           C  
HETATM    3  C   UNL     1       1.340  -2.507  -0.987  1.00  0.00           C  
HETATM    4  C   UNL     1       5.715   2.007   1.118  1.00  0.00           C  
HETATM    5  C   UNL     1       6.544   2.797   2.098  1.00  0.00           C  
HETATM    6  N   UNL     1       4.574   1.416   1.523  1.00  0.00           N  
HETATM    7  C   UNL     1       2.311   0.618   1.040  1.00  0.00           C  
HETATM    8  C   UNL     1       4.300  -0.785   0.488  1.00  0.00           C  
HETATM    9  C   UNL     1       3.769   0.648   0.570  1.00  0.00           C  
HETATM   10  C   UNL     1       6.274  -2.050  -0.013  1.00  0.00           C  
HETATM   11  C   UNL     1       7.698  -1.912  -0.555  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.295   3.543  -1.754  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.231  -0.167   0.154  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.271   0.370  -0.835  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.013   1.861  -1.070  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.580   2.050  -1.574  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.828   0.101  -0.397  1.00  0.00           C  
HETATM   18  C   UNL     1       8.374  -3.284  -0.566  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.185  -1.060  -0.641  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.556  -1.143  -0.023  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.157  -0.204   0.744  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.380  -0.039   1.898  1.00  0.00           C  
HETATM   23  N   UNL     1      -8.370  -0.706   1.073  1.00  0.00           N  
HETATM   24  N   UNL     1      -8.485  -1.870   0.536  1.00  0.00           N  
HETATM   25  N   UNL     1      -7.422  -2.158  -0.129  1.00  0.00           N  
HETATM   26  O   UNL     1       5.642  -0.768  -0.003  1.00  0.00           O  
HETATM   27  O   UNL     1       1.783   1.946   1.049  1.00  0.00           O  
HETATM   28  O   UNL     1       0.147  -0.347   0.547  1.00  0.00           O  
HETATM   29  O   UNL     1       3.478  -1.547  -0.397  1.00  0.00           O  
HETATM   30  O   UNL     1       1.842  -3.845  -0.959  1.00  0.00           O  
HETATM   31  O   UNL     1       6.076   1.904  -0.036  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.417  -1.573   0.326  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.666   1.502  -0.622  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.187   2.575   0.156  1.00  0.00           O  
HETATM   35  O   UNL     1       0.000   3.714  -2.333  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.582   0.189  -0.296  1.00  0.00           O  
HETATM   37  H   UNL     1       1.504   0.196  -0.915  1.00  0.00           H  
HETATM   38  H   UNL     1       2.067  -2.113   1.002  1.00  0.00           H  
HETATM   39  H   UNL     1       0.283  -2.511  -0.723  1.00  0.00           H  
HETATM   40  H   UNL     1       1.462  -2.094  -1.988  1.00  0.00           H  
HETATM   41  H   UNL     1       6.065   2.778   3.077  1.00  0.00           H  
HETATM   42  H   UNL     1       7.538   2.357   2.171  1.00  0.00           H  
HETATM   43  H   UNL     1       6.628   3.828   1.755  1.00  0.00           H  
HETATM   44  H   UNL     1       4.286   1.499   2.445  1.00  0.00           H  
HETATM   45  H   UNL     1       2.260   0.197   2.044  1.00  0.00           H  
HETATM   46  H   UNL     1       4.282  -1.237   1.480  1.00  0.00           H  
HETATM   47  H   UNL     1       3.824   1.115  -0.413  1.00  0.00           H  
HETATM   48  H   UNL     1       5.707  -2.729  -0.649  1.00  0.00           H  
HETATM   49  H   UNL     1       6.308  -2.445   1.002  1.00  0.00           H  
HETATM   50  H   UNL     1       7.664  -1.516  -1.570  1.00  0.00           H  
HETATM   51  H   UNL     1       8.265  -1.232   0.081  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.048   3.980  -2.411  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.327   4.039  -0.784  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.349   0.336   1.115  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.187  -0.168  -1.779  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.714   2.239  -1.815  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.460   1.539  -2.529  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.699  -0.436  -1.336  1.00  0.00           H  
HETATM   59  H   UNL     1       7.807  -3.964  -1.202  1.00  0.00           H  
HETATM   60  H   UNL     1       9.389  -3.187  -0.952  1.00  0.00           H  
HETATM   61  H   UNL     1       8.409  -3.680   0.449  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.567  -1.877  -0.267  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.269  -1.135  -1.725  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.751   0.753   1.036  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.036   0.555   1.261  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.969  -0.787   2.428  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.887   0.613   2.620  1.00  0.00           H  
HETATM   68  H   UNL     1       2.258   2.553   1.632  1.00  0.00           H  
HETATM   69  H   UNL     1       1.397  -4.445  -1.572  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.791  -1.980   0.941  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.039   3.528   0.080  1.00  0.00           H  
HETATM   72  H   UNL     1       0.248   4.638  -2.477  1.00  0.00           H  
CONECT    1    7   28    2   37                                       
CONECT    2    1   29    3   38                                       
CONECT    3    2   30   39   40                                       
CONECT    4   31   31    5    6                                       
CONECT    5    4   41   42   43                                       
CONECT    6    4    9   44                                            
CONECT    7   27    9    1   45                                       
CONECT    8    9   26   29   46                                       
CONECT    9    7    6    8   47                                       
CONECT   10   26   11   48   49                                       
CONECT   11   18   10   50   51                                       
CONECT   12   16   35   52   53                                       
CONECT   13   32   14   17   54                                       
CONECT   14   36   13   15   55                                       
CONECT   15   34   14   16   56                                       
CONECT   16   33   15   12   57                                       
CONECT   17   28   13   33   58                                       
CONECT   18   11   59   60   61                                       
CONECT   19   20   36   62   63                                       
CONECT   20   25   21   21   19                                       
CONECT   21   23   20   20   64                                       
CONECT   22   23   65   66   67                                       
CONECT   23   24   22   21                                            
CONECT   24   25   25   23                                            
CONECT   25   24   24   20                                            
CONECT   26    8   10                                                 
CONECT   27    7   68                                                 
CONECT   28   17    1                                                 
CONECT   29    8    2                                                 
CONECT   30    3   69                                                 
CONECT   31    4    4                                                 
CONECT   32   13   70                                                 
CONECT   33   17   16                                                 
CONECT   34   15   71                                                 
CONECT   35   12   72                                                 
CONECT   36   19   14                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   27                                                      
CONECT   69   30                                                      
CONECT   70   32                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
