COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.519   0.406  -1.210  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.588   0.707  -0.024  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.748  -0.404   0.107  1.00  0.00           N  
HETATM    4  C   UNL     1       5.893   0.543  -1.293  1.00  0.00           C  
HETATM    5  C   UNL     1       0.353   0.020   0.141  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.192   2.000  -0.392  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.236  -1.200  -0.120  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.006  -3.549  -0.785  1.00  0.00           C  
HETATM    9  C   UNL     1       0.794  -4.585  -1.161  1.00  0.00           C  
HETATM   10  C   UNL     1      10.161   0.452   0.507  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.295   2.785  -0.411  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.666  -0.353   0.545  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.333   4.252  -0.755  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.242   4.468  -1.966  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.876   5.042   0.438  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.919   4.735  -1.086  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.486  -1.592  -0.070  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.629  -0.210   1.545  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.401  -1.292   1.915  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.260  -2.668   0.313  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.067  -3.695   1.707  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.894   0.721   0.172  1.00  0.00           N1+
HETATM   23  N   UNL     1      -6.356   2.022  -0.067  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.426  -0.281  -0.123  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.963   0.797  -0.445  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.617  -1.351   0.003  1.00  0.00           N  
HETATM   27  C   UNL     1       0.564  -2.295  -0.512  1.00  0.00           C  
HETATM   28  C   UNL     1       1.964  -2.128  -0.633  1.00  0.00           C  
HETATM   29  C   UNL     1       2.539  -0.864  -0.358  1.00  0.00           C  
HETATM   30  C   UNL     1       2.171  -4.420  -1.280  1.00  0.00           C  
HETATM   31  C   UNL     1       2.757  -3.217  -1.023  1.00  0.00           C  
HETATM   32  C   UNL     1       1.725   0.189   0.024  1.00  0.00           C  
HETATM   33  C   UNL     1       4.888  -1.554   0.135  1.00  0.00           C  
HETATM   34  C   UNL     1       4.002  -0.669  -0.479  1.00  0.00           C  
HETATM   35  C   UNL     1       6.705  -0.378  -0.655  1.00  0.00           C  
HETATM   36  N   UNL     1       6.189  -1.382   0.028  1.00  0.00           N  
HETATM   37  C   UNL     1       8.202  -0.233  -0.743  1.00  0.00           C  
HETATM   38  N   UNL     1       8.693   0.496   0.435  1.00  0.00           N  
HETATM   39  C   UNL     1       8.213   1.885   0.433  1.00  0.00           C  
HETATM   40  C   UNL     1       8.697   2.589   1.704  1.00  0.00           C  
HETATM   41  C   UNL     1      10.625   1.170   1.777  1.00  0.00           C  
HETATM   42  O   UNL     1      10.123   2.509   1.773  1.00  0.00           O  
HETATM   43  C   UNL     1      -8.221  -2.517   1.297  1.00  0.00           C  
HETATM   44  H   UNL     1       3.862   1.113  -1.695  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.118  -1.263   0.364  1.00  0.00           H  
HETATM   46  H   UNL     1       6.327   1.360  -1.849  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.264   0.856   0.437  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.184   2.315  -0.621  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.073  -3.691  -0.696  1.00  0.00           H  
HETATM   50  H   UNL     1       0.353  -5.549  -1.370  1.00  0.00           H  
HETATM   51  H   UNL     1      10.493  -0.586   0.533  1.00  0.00           H  
HETATM   52  H   UNL     1      10.583   0.949  -0.367  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.249   4.124  -1.731  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.270   5.529  -2.215  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.855   3.906  -2.816  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.228   4.887   1.301  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.904   6.102   0.189  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.883   4.697   0.673  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.533   4.173  -1.935  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.947   5.796  -1.334  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.272   4.581  -0.223  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.743  -1.709  -0.844  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.770   0.746   2.028  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.146  -1.183   2.689  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.122  -3.628  -0.162  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.970  -3.724   1.096  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.502  -4.616   1.563  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.342  -3.598   2.757  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.275   2.322   0.002  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.996  -2.227   0.180  1.00  0.00           H  
HETATM   71  H   UNL     1       2.784  -5.257  -1.580  1.00  0.00           H  
HETATM   72  H   UNL     1       3.826  -3.102  -1.120  1.00  0.00           H  
HETATM   73  H   UNL     1       2.164   1.153   0.233  1.00  0.00           H  
HETATM   74  H   UNL     1       4.503  -2.388   0.704  1.00  0.00           H  
HETATM   75  H   UNL     1       8.662  -1.220  -0.777  1.00  0.00           H  
HETATM   76  H   UNL     1       8.461   0.320  -1.646  1.00  0.00           H  
HETATM   77  H   UNL     1       8.604   2.404  -0.442  1.00  0.00           H  
HETATM   78  H   UNL     1       7.123   1.893   0.405  1.00  0.00           H  
HETATM   79  H   UNL     1       8.391   3.635   1.680  1.00  0.00           H  
HETATM   80  H   UNL     1       8.262   2.102   2.577  1.00  0.00           H  
HETATM   81  H   UNL     1      10.247   0.642   2.653  1.00  0.00           H  
HETATM   82  H   UNL     1      11.715   1.190   1.806  1.00  0.00           H  
CONECT    1   34    4    4   44                                       
CONECT    2   22   22    6    3                                       
CONECT    3    2   24   45                                            
CONECT    4    1    1   35   46                                       
CONECT    5    7   32   32   47                                       
CONECT    6    2   11   11   48                                       
CONECT    7    5   26   27   27                                       
CONECT    8    9    9   27   49                                       
CONECT    9    8    8   30   50                                       
CONECT   10   38   41   51   52                                       
CONECT   11    6    6   13   23                                       
CONECT   12   18   22   17   17                                       
CONECT   13   11   16   15   14                                       
CONECT   14   13   53   54   55                                       
CONECT   15   13   56   57   58                                       
CONECT   16   13   59   60   61                                       
CONECT   17   12   12   20   62                                       
CONECT   18   12   19   19   63                                       
CONECT   19   18   18   43   64                                       
CONECT   20   17   43   43   65                                       
CONECT   21   43   66   67   68                                       
CONECT   22    2    2   12   23                                       
CONECT   23   11   22   69                                            
CONECT   24    3   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26    7   24   70                                            
CONECT   27    7    7    8   28                                       
CONECT   28   27   31   29   29                                       
CONECT   29   28   28   32   34                                       
CONECT   30    9   31   31   71                                       
CONECT   31   28   30   30   72                                       
CONECT   32    5    5   29   73                                       
CONECT   33   34   34   36   74                                       
CONECT   34    1   29   33   33                                       
CONECT   35    4   36   36   37                                       
CONECT   36   33   35   35                                            
CONECT   37   35   38   75   76                                       
CONECT   38   10   37   39                                            
CONECT   39   38   40   77   78                                       
CONECT   40   39   42   79   80                                       
CONECT   41   10   42   81   82                                       
CONECT   42   40   41                                                 
CONECT   43   19   20   20   21                                       
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   23                                                      
CONECT   70   26                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   41                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
