COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.008  -0.236   0.018  1.00  0.00           C  
HETATM    2  C   UNL     1       4.748  -1.530  -0.331  1.00  0.00           C  
HETATM    3  C   UNL     1       4.019  -2.242  -1.473  1.00  0.00           C  
HETATM    4  C   UNL     1       8.043   2.163   1.418  1.00  0.00           C  
HETATM    5  C   UNL     1       8.830   2.819   2.523  1.00  0.00           C  
HETATM    6  N   UNL     1       6.973   1.398   1.716  1.00  0.00           N  
HETATM    7  C   UNL     1       4.776   0.500   1.120  1.00  0.00           C  
HETATM    8  C   UNL     1       6.863  -0.572   0.269  1.00  0.00           C  
HETATM    9  C   UNL     1       6.208   0.760   0.642  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.547  -1.148   0.014  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.822   0.100  -0.678  1.00  0.00           C  
HETATM   12  C   UNL     1      10.310  -1.146  -1.032  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.595  -1.513  -0.745  1.00  0.00           C  
HETATM   14  C   UNL     1       1.648  -0.018  -0.341  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.899   3.506  -1.569  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.101  -1.315   1.310  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.924  -2.424   1.226  1.00  0.00           C  
HETATM   18  C   UNL     1       0.294  -0.520   0.168  1.00  0.00           C  
HETATM   19  C   UNL     1       0.828   3.564  -0.977  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.931  -1.846  -0.134  1.00  0.00           C  
HETATM   21  C   UNL     1      11.105  -2.419  -1.327  1.00  0.00           C  
HETATM   22  C   UNL     1       8.923  -1.521  -0.506  1.00  0.00           C  
HETATM   23  C   UNL     1       0.685   2.045  -1.094  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.708   1.626  -0.615  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.136   1.214  -0.489  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.144  -2.340   0.580  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.493  -0.117   0.749  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.586  -1.139   0.816  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.773  -1.416   2.016  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.474   2.231  -0.968  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.722  -0.026   0.095  1.00  0.00           C  
HETATM   32  N   UNL     1     -12.156   3.945  -0.947  1.00  0.00           N  
HETATM   33  N   UNL     1      -5.767  -2.846   0.297  1.00  0.00           N  
HETATM   34  N   UNL     1      -5.738  -1.807   1.057  1.00  0.00           N  
HETATM   35  N   UNL     1      -4.707  -2.895  -0.430  1.00  0.00           N  
HETATM   36  O   UNL     1       8.180  -0.332  -0.231  1.00  0.00           O  
HETATM   37  O   UNL     1       4.132   1.745   1.401  1.00  0.00           O  
HETATM   38  O   UNL     1       2.691  -0.549   0.479  1.00  0.00           O  
HETATM   39  O   UNL     1       6.082  -1.219  -0.738  1.00  0.00           O  
HETATM   40  O   UNL     1       4.640  -3.505  -1.720  1.00  0.00           O  
HETATM   41  O   UNL     1       8.371   2.323   0.262  1.00  0.00           O  
HETATM   42  O   UNL     1       0.241  -1.944   0.059  1.00  0.00           O  
HETATM   43  O   UNL     1       2.082   3.968  -1.531  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.093  -0.307  -0.165  1.00  0.00           O  
HETATM   45  O   UNL     1      -0.902   2.065   0.731  1.00  0.00           O  
HETATM   46  O   UNL     1       1.676   1.410  -0.285  1.00  0.00           O  
HETATM   47  H   UNL     1       3.943   0.397  -0.867  1.00  0.00           H  
HETATM   48  H   UNL     1       4.776  -2.180   0.543  1.00  0.00           H  
HETATM   49  H   UNL     1       2.976  -2.398  -1.198  1.00  0.00           H  
HETATM   50  H   UNL     1       4.070  -1.630  -2.374  1.00  0.00           H  
HETATM   51  H   UNL     1       9.231   2.054   3.188  1.00  0.00           H  
HETATM   52  H   UNL     1       9.652   3.392   2.092  1.00  0.00           H  
HETATM   53  H   UNL     1       8.179   3.486   3.087  1.00  0.00           H  
HETATM   54  H   UNL     1       6.711   1.270   2.641  1.00  0.00           H  
HETATM   55  H   UNL     1       4.798  -0.112   2.021  1.00  0.00           H  
HETATM   56  H   UNL     1       6.919  -1.209   1.151  1.00  0.00           H  
HETATM   57  H   UNL     1       6.188   1.415  -0.229  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.498  -1.085  -0.494  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.724  -0.231  -1.712  1.00  0.00           H  
HETATM   60  H   UNL     1      10.835  -0.554  -0.283  1.00  0.00           H  
HETATM   61  H   UNL     1      10.205  -0.563  -1.947  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.895  -2.326  -0.555  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.710  -1.378  -1.821  1.00  0.00           H  
HETATM   64  H   UNL     1       1.793  -0.345  -1.371  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.129   4.259  -1.405  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.052   3.370  -2.640  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.612  -3.360   1.667  1.00  0.00           H  
HETATM   68  H   UNL     1       0.165  -0.230   1.211  1.00  0.00           H  
HETATM   69  H   UNL     1       0.018   4.048  -1.522  1.00  0.00           H  
HETATM   70  H   UNL     1       0.785   3.854   0.072  1.00  0.00           H  
HETATM   71  H   UNL     1      12.093  -2.152  -1.702  1.00  0.00           H  
HETATM   72  H   UNL     1      11.210  -3.002  -0.411  1.00  0.00           H  
HETATM   73  H   UNL     1      10.580  -3.011  -2.076  1.00  0.00           H  
HETATM   74  H   UNL     1       8.398  -2.113  -1.255  1.00  0.00           H  
HETATM   75  H   UNL     1       9.027  -2.104   0.409  1.00  0.00           H  
HETATM   76  H   UNL     1       0.817   1.746  -2.133  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.464   2.075  -1.258  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.782  -3.210   0.518  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.850   0.748   0.816  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.255  -0.226   1.289  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.519  -0.449   2.451  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.838  -2.164   2.806  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.468   4.819  -1.343  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.868   3.236  -1.030  1.00  0.00           H  
HETATM   85  H   UNL     1       4.570   2.268   2.086  1.00  0.00           H  
HETATM   86  H   UNL     1       4.229  -4.013  -2.433  1.00  0.00           H  
HETATM   87  H   UNL     1       0.921  -2.403   0.570  1.00  0.00           H  
HETATM   88  H   UNL     1       2.241   4.921  -1.491  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.843   3.023   0.845  1.00  0.00           H  
CONECT    1    7   38    2   47                                       
CONECT    2    1   39    3   48                                       
CONECT    3    2   40   49   50                                       
CONECT    4   41   41    6    5                                       
CONECT    5    4   51   52   53                                       
CONECT    6    4    9   54                                            
CONECT    7   37    9    1   55                                       
CONECT    8    9   36   39   56                                       
CONECT    9    6    7    8   57                                       
CONECT   10   31   31   26   58                                       
CONECT   11   44   18   24   59                                       
CONECT   12   22   21   60   61                                       
CONECT   13   20   44   62   63                                       
CONECT   14   18   38   46   64                                       
CONECT   15   32   30   65   66                                       
CONECT   16   27   27   17   29                                       
CONECT   17   26   26   16   67                                       
CONECT   18   42   11   14   68                                       
CONECT   19   23   43   69   70                                       
CONECT   20   28   28   35   13                                       
CONECT   21   12   71   72   73                                       
CONECT   22   12   36   74   75                                       
CONECT   23   24   46   19   76                                       
CONECT   24   45   11   23   77                                       
CONECT   25   30   30   30   31                                       
CONECT   26   10   17   17   78                                       
CONECT   27   31   16   16   79                                       
CONECT   28   34   20   20   80                                       
CONECT   29   16   34   81   82                                       
CONECT   30   15   25   25   25                                       
CONECT   31   25   10   10   27                                       
CONECT   32   15   83   84                                            
CONECT   33   34   35   35                                            
CONECT   34   29   33   28                                            
CONECT   35   33   33   20                                            
CONECT   36   22    8                                                 
CONECT   37    7   85                                                 
CONECT   38    1   14                                                 
CONECT   39    8    2                                                 
CONECT   40    3   86                                                 
CONECT   41    4    4                                                 
CONECT   42   18   87                                                 
CONECT   43   19   88                                                 
CONECT   44   11   13                                                 
CONECT   45   24   89                                                 
CONECT   46   14   23                                                 
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   37                                                      
CONECT   86   40                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   45                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
