COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.290   0.460   0.007  1.00  0.00           C  
HETATM    2  O   UNL     1      12.442  -0.728  -0.157  1.00  0.00           O  
HETATM    3  O   UNL     1      13.358   1.257   0.169  1.00  0.00           O  
HETATM    4  C   UNL     1      10.902   1.047   0.023  1.00  0.00           C  
HETATM    5  C   UNL     1       9.875  -0.068  -0.188  1.00  0.00           C  
HETATM    6  C   UNL     1       8.487   0.519  -0.172  1.00  0.00           C  
HETATM    7  O   UNL     1       8.334   1.711  -0.008  1.00  0.00           O  
HETATM    8  N   UNL     1       7.415  -0.280  -0.340  1.00  0.00           N  
HETATM    9  C   UNL     1       6.066   0.290  -0.324  1.00  0.00           C  
HETATM   10  C   UNL     1       5.076  -0.772   0.082  1.00  0.00           C  
HETATM   11  O   UNL     1       5.460  -1.895   0.333  1.00  0.00           O  
HETATM   12  C   UNL     1       5.715   0.808  -1.720  1.00  0.00           C  
HETATM   13  N   UNL     1       3.765  -0.474   0.165  1.00  0.00           N  
HETATM   14  C   UNL     1       2.803  -1.506   0.560  1.00  0.00           C  
HETATM   15  C   UNL     1       1.442  -1.161   0.011  1.00  0.00           C  
HETATM   16  O   UNL     1       1.161  -0.006  -0.230  1.00  0.00           O  
HETATM   17  C   UNL     1       2.733  -1.582   2.086  1.00  0.00           C  
HETATM   18  N   UNL     1       0.539  -2.135  -0.212  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.782  -1.954  -0.832  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.602  -0.986  -0.018  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.135  -0.491   0.986  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.471  -3.335  -0.856  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.730  -4.112   0.264  1.00  0.00           C  
HETATM   24  C   UNL     1       0.713  -3.561   0.119  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.854  -0.671  -0.406  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.651   0.270   0.386  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.116   0.006   0.153  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.461  -0.880  -0.600  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.317   1.702  -0.037  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.860   2.010   0.314  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.526   3.443  -0.108  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.069   3.751   0.243  1.00  0.00           C  
HETATM   33  N   UNL     1       0.251   5.127  -0.162  1.00  0.00           N1+
HETATM   34  N   UNL     1      -6.043   0.755   0.781  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.401   0.575   0.494  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.889  -0.693   0.206  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.229  -0.868  -0.078  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.085   0.218  -0.076  1.00  0.00           C  
HETATM   39  N   UNL     1     -11.521   0.027  -0.380  1.00  0.00           N1+
HETATM   40  O   UNL     1     -11.947  -1.085  -0.633  1.00  0.00           O1-
HETATM   41  O   UNL     1     -12.276   0.983  -0.378  1.00  0.00           O  
HETATM   42  C   UNL     1      -9.603   1.482   0.212  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.264   1.663   0.501  1.00  0.00           C  
HETATM   44  H   UNL     1      14.228   0.836   0.147  1.00  0.00           H  
HETATM   45  H   UNL     1      10.723   1.529   0.984  1.00  0.00           H  
HETATM   46  H   UNL     1      10.809   1.783  -0.776  1.00  0.00           H  
HETATM   47  H   UNL     1      10.054  -0.550  -1.149  1.00  0.00           H  
HETATM   48  H   UNL     1       9.968  -0.803   0.611  1.00  0.00           H  
HETATM   49  H   UNL     1       7.537  -1.234  -0.471  1.00  0.00           H  
HETATM   50  H   UNL     1       6.028   1.113   0.389  1.00  0.00           H  
HETATM   51  H   UNL     1       4.711   1.232  -1.709  1.00  0.00           H  
HETATM   52  H   UNL     1       6.430   1.576  -2.014  1.00  0.00           H  
HETATM   53  H   UNL     1       5.753  -0.016  -2.433  1.00  0.00           H  
HETATM   54  H   UNL     1       3.457   0.424  -0.036  1.00  0.00           H  
HETATM   55  H   UNL     1       3.121  -2.470   0.162  1.00  0.00           H  
HETATM   56  H   UNL     1       2.331  -0.647   2.478  1.00  0.00           H  
HETATM   57  H   UNL     1       2.085  -2.408   2.380  1.00  0.00           H  
HETATM   58  H   UNL     1       3.733  -1.743   2.488  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.666  -1.577  -1.849  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.532  -3.240  -0.624  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.328  -3.820  -1.822  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.146  -3.876   1.243  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.757  -5.186   0.078  1.00  0.00           H  
HETATM   64  H   UNL     1       1.239  -4.076  -0.684  1.00  0.00           H  
HETATM   65  H   UNL     1       1.255  -3.669   1.059  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.227  -1.067  -1.209  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.421   0.140   1.443  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.462   1.807  -1.112  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.972   2.397   0.488  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.715   1.906   1.390  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.205   1.315  -0.210  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.671   3.548  -1.183  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.181   4.138   0.417  1.00  0.00           H  
HETATM   74  H   UNL     1       0.076   3.646   1.318  1.00  0.00           H  
HETATM   75  H   UNL     1       0.586   3.056  -0.281  1.00  0.00           H  
HETATM   76  H   UNL     1       1.212   5.330   0.069  1.00  0.00           H  
HETATM   77  H   UNL     1       0.117   5.224  -1.158  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.355   5.770   0.323  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.770   1.419   1.433  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.220  -1.542   0.203  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.609  -1.854  -0.303  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.274   2.328   0.213  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.889   2.649   0.729  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   44                                                 
CONECT    4    1    5   45   46                                       
CONECT    5    4    6   47   48                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    9   49    6                                            
CONECT    9    8   10   12   50                                       
CONECT   10    9   11   11   13                                       
CONECT   11   10   10                                                 
CONECT   12    9   51   52   53                                       
CONECT   13   14   54   10                                            
CONECT   14   13   15   17   55                                       
CONECT   15   14   16   16   18                                       
CONECT   16   15   15                                                 
CONECT   17   14   56   57   58                                       
CONECT   18   19   24   15                                            
CONECT   19   18   20   22   59                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   60   61                                       
CONECT   23   22   24   62   63                                       
CONECT   24   18   23   64   65                                       
CONECT   25   26   66   20                                            
CONECT   26   25   27   29   67                                       
CONECT   27   26   28   28   34                                       
CONECT   28   27   27                                                 
CONECT   29   26   30   68   69                                       
CONECT   30   29   31   70   71                                       
CONECT   31   30   32   72   73                                       
CONECT   32   31   33   74   75                                       
CONECT   33   32   76   77   78                                       
CONECT   34   35   79   27                                            
CONECT   35   34   36   36   43                                       
CONECT   36   35   35   37   80                                       
CONECT   37   36   38   38   81                                       
CONECT   38   37   37   39   42                                       
CONECT   39   38   40   41   41                                       
CONECT   40   39                                                      
CONECT   41   39   39                                                 
CONECT   42   38   43   43   82                                       
CONECT   43   35   42   42   83                                       
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   19                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
