COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.433  -1.399  -2.148  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.760  -0.884  -3.261  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.888  -1.279  -0.904  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.656  -0.643  -0.726  1.00  0.00           C  
HETATM    5  C   UNL     1       0.024  -0.119  -1.820  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.519  -0.242  -3.088  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.076  -0.519   0.633  1.00  0.00           C  
HETATM    8  C   UNL     1       1.297  -0.694   0.823  1.00  0.00           C  
HETATM    9  C   UNL     1       1.845  -0.582   2.080  1.00  0.00           C  
HETATM   10  C   UNL     1       1.033  -0.294   3.169  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.900  -0.230   1.712  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.350  -0.116   2.990  1.00  0.00           C  
HETATM   13  N   UNL     1       1.272  -0.122   4.519  1.00  0.00           N  
HETATM   14  C   UNL     1       0.068   0.147   5.113  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.882   0.144   4.211  1.00  0.00           N  
HETATM   16  N   UNL     1      -2.044  -0.854  -4.586  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.078  -0.246  -5.231  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.109   0.151  -4.348  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.130   0.398   6.556  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.023   1.385   6.978  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.206   1.615   8.324  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.503   0.868   9.261  1.00  0.00           C  
HETATM   23  C   UNL     1       0.574  -0.350   7.500  1.00  0.00           C  
HETATM   24  C   UNL     1       0.390  -0.110   8.845  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.039  -0.024  -6.691  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.202   0.333  -7.376  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.162   0.539  -8.738  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.967   0.391  -9.430  1.00  0.00           C  
HETATM   29  C   UNL     1       0.192   0.035  -8.752  1.00  0.00           C  
HETATM   30  C   UNL     1       0.161  -0.166  -7.389  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.931   0.595 -10.772  1.00  0.00           O  
HETATM   32  C   UNL     1       0.416   0.371 -11.188  1.00  0.00           C  
HETATM   33  C   UNL     1       0.526   0.586 -12.699  1.00  0.00           C  
HETATM   34  C   UNL     1       1.970   0.346 -13.145  1.00  0.00           C  
HETATM   35  N   UNL     1       2.075   0.552 -14.595  1.00  0.00           N  
HETATM   36  O   UNL     1      -0.686   1.099  10.587  1.00  0.00           O  
HETATM   37  C   UNL     1       0.163   0.186  11.285  1.00  0.00           C  
HETATM   38  C   UNL     1       0.004   0.395  12.793  1.00  0.00           C  
HETATM   39  C   UNL     1       0.913  -0.581  13.541  1.00  0.00           C  
HETATM   40  N   UNL     1       0.761  -0.381  14.988  1.00  0.00           N  
HETATM   41  C   UNL     1       1.656  -1.345  15.644  1.00  0.00           C  
HETATM   42  C   UNL     1       1.289   0.956  15.287  1.00  0.00           C  
HETATM   43  C   UNL     1       3.478   0.307 -14.956  1.00  0.00           C  
HETATM   44  C   UNL     1       1.284  -0.509 -15.231  1.00  0.00           C  
HETATM   45  H   UNL     1      -3.385  -1.893  -2.274  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.412  -1.679  -0.048  1.00  0.00           H  
HETATM   47  H   UNL     1       0.974   0.376  -1.682  1.00  0.00           H  
HETATM   48  H   UNL     1       1.932  -0.918  -0.021  1.00  0.00           H  
HETATM   49  H   UNL     1       2.908  -0.718   2.220  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.962  -0.095   1.563  1.00  0.00           H  
HETATM   51  H   UNL     1       2.132  -0.181   4.964  1.00  0.00           H  
HETATM   52  H   UNL     1       0.710   0.621  -4.566  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.570   1.966   6.251  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.897   2.378   8.652  1.00  0.00           H  
HETATM   55  H   UNL     1       1.266  -1.114   7.177  1.00  0.00           H  
HETATM   56  H   UNL     1       0.935  -0.688   9.576  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.132   0.447  -6.839  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.062   0.816  -9.268  1.00  0.00           H  
HETATM   59  H   UNL     1       1.119  -0.078  -9.293  1.00  0.00           H  
HETATM   60  H   UNL     1       1.063  -0.443  -6.863  1.00  0.00           H  
HETATM   61  H   UNL     1       1.076   1.069 -10.673  1.00  0.00           H  
HETATM   62  H   UNL     1       0.706  -0.650 -10.944  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.133  -0.111 -13.214  1.00  0.00           H  
HETATM   64  H   UNL     1       0.236   1.608 -12.943  1.00  0.00           H  
HETATM   65  H   UNL     1       2.630   1.044 -12.630  1.00  0.00           H  
HETATM   66  H   UNL     1       2.260  -0.675 -12.901  1.00  0.00           H  
HETATM   67  H   UNL     1       1.200   0.364  11.001  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.113  -0.835  11.029  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.032   0.217  13.077  1.00  0.00           H  
HETATM   70  H   UNL     1       0.281   1.417  13.049  1.00  0.00           H  
HETATM   71  H   UNL     1       1.950  -0.403  13.257  1.00  0.00           H  
HETATM   72  H   UNL     1       0.637  -1.604  13.285  1.00  0.00           H  
HETATM   73  H   UNL     1       1.578  -1.235  16.726  1.00  0.00           H  
HETATM   74  H   UNL     1       1.370  -2.357  15.360  1.00  0.00           H  
HETATM   75  H   UNL     1       2.683  -1.157  15.332  1.00  0.00           H  
HETATM   76  H   UNL     1       0.656   1.709  14.820  1.00  0.00           H  
HETATM   77  H   UNL     1       1.300   1.109  16.366  1.00  0.00           H  
HETATM   78  H   UNL     1       2.304   1.041  14.898  1.00  0.00           H  
HETATM   79  H   UNL     1       3.607   0.449 -16.029  1.00  0.00           H  
HETATM   80  H   UNL     1       4.119   1.006 -14.417  1.00  0.00           H  
HETATM   81  H   UNL     1       3.749  -0.713 -14.689  1.00  0.00           H  
HETATM   82  H   UNL     1       1.331  -0.398 -16.315  1.00  0.00           H  
HETATM   83  H   UNL     1       1.687  -1.481 -14.948  1.00  0.00           H  
HETATM   84  H   UNL     1       0.247  -0.436 -14.904  1.00  0.00           H  
CONECT    1    2    2    3   45                                       
CONECT    2    1    1    6   16                                       
CONECT    3    1    4    4   46                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   47                                       
CONECT    6    2    5    5   18                                       
CONECT    7    4    8    8   11                                       
CONECT    8    7    7    9   48                                       
CONECT    9    8   10   10   49                                       
CONECT   10    9    9   12   13                                       
CONECT   11    7   12   12   50                                       
CONECT   12   10   11   11   15                                       
CONECT   13   10   14   51                                            
CONECT   14   13   15   15   19                                       
CONECT   15   12   14   14                                            
CONECT   16    2   17   17                                            
CONECT   17   16   16   18   25                                       
CONECT   18    6   17   52                                            
CONECT   19   14   20   20   23                                       
CONECT   20   19   19   21   53                                       
CONECT   21   20   22   22   54                                       
CONECT   22   21   21   24   36                                       
CONECT   23   19   24   24   55                                       
CONECT   24   22   23   23   56                                       
CONECT   25   17   26   26   30                                       
CONECT   26   25   25   27   57                                       
CONECT   27   26   28   28   58                                       
CONECT   28   27   27   29   31                                       
CONECT   29   28   30   30   59                                       
CONECT   30   25   29   29   60                                       
CONECT   31   28   32                                                 
CONECT   32   31   33   61   62                                       
CONECT   33   32   34   63   64                                       
CONECT   34   33   35   65   66                                       
CONECT   35   34   43   44                                            
CONECT   36   22   37                                                 
CONECT   37   36   38   67   68                                       
CONECT   38   37   39   69   70                                       
CONECT   39   38   40   71   72                                       
CONECT   40   39   41   42                                            
CONECT   41   40   73   74   75                                       
CONECT   42   40   76   77   78                                       
CONECT   43   35   79   80   81                                       
CONECT   44   35   82   83   84                                       
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   18                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
CONECT   73   41                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
CONECT   77   42                                                      
CONECT   78   42                                                      
CONECT   79   43                                                      
CONECT   80   43                                                      
CONECT   81   43                                                      
CONECT   82   44                                                      
CONECT   83   44                                                      
CONECT   84   44                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
