COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.619   0.472  -0.849  1.00  0.00           C  
HETATM    2  C   UNL     1       6.146   0.015   0.486  1.00  0.00           C  
HETATM    3  C   UNL     1       4.892  -0.665  -1.519  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.864   0.119  -0.707  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.774  -1.061  -2.514  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.831   0.693   0.655  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.018   0.219  -1.483  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.927  -0.958  -3.266  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.043  -0.319  -2.754  1.00  0.00           C  
HETATM   10  C   UNL     1       7.581  -1.406   1.773  1.00  0.00           C  
HETATM   11  C   UNL     1       6.166   0.180   2.875  1.00  0.00           C  
HETATM   12  C   UNL     1       3.706  -1.545  -3.404  1.00  0.00           C  
HETATM   13  C   UNL     1       4.080  -2.918  -1.478  1.00  0.00           C  
HETATM   14  C   UNL     1       2.520   2.517   0.112  1.00  0.00           C  
HETATM   15  C   UNL     1       3.221   0.148   0.660  1.00  0.00           C  
HETATM   16  C   UNL     1       7.113  -0.824   2.937  1.00  0.00           C  
HETATM   17  C   UNL     1       3.558  -2.753  -2.747  1.00  0.00           C  
HETATM   18  C   UNL     1       1.177   2.000  -0.417  1.00  0.00           C  
HETATM   19  C   UNL     1       2.972   3.692  -0.716  1.00  0.00           C  
HETATM   20  C   UNL     1       1.875  -0.371   0.127  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.272   0.524   0.892  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.927  -0.942   1.917  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.123  -1.855   0.384  1.00  0.00           C  
HETATM   24  C   UNL     1       4.670   1.625  -0.647  1.00  0.00           C  
HETATM   25  C   UNL     1       6.786   0.920  -1.731  1.00  0.00           C  
HETATM   26  C   UNL     1       7.097  -0.986   0.548  1.00  0.00           C  
HETATM   27  C   UNL     1       5.682   0.600   1.650  1.00  0.00           C  
HETATM   28  C   UNL     1       4.374  -0.502  -2.790  1.00  0.00           C  
HETATM   29  C   UNL     1       4.748  -1.874  -0.864  1.00  0.00           C  
HETATM   30  N   UNL     1       3.513   1.437   0.018  1.00  0.00           N  
HETATM   31  O   UNL     1       4.948   2.723  -1.082  1.00  0.00           O  
HETATM   32  N   UNL     1       0.884   0.711   0.225  1.00  0.00           N  
HETATM   33  O   UNL     1       3.074   3.582  -1.915  1.00  0.00           O  
HETATM   34  O   UNL     1       3.260   4.861  -0.122  1.00  0.00           O  
HETATM   35  N   UNL     1      -0.760  -0.722   1.060  1.00  0.00           N  
HETATM   36  O   UNL     1      -0.876   1.479   1.342  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.184  -0.833   1.093  1.00  0.00           C  
HETATM   38  C   UNL     1       0.729  -2.634   1.388  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.708  -1.959   0.484  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.812   0.392   0.955  1.00  0.00           C  
HETATM   41  C   UNL     1       1.395  -3.817   0.683  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.858  -1.865  -0.272  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.964   0.498   0.202  1.00  0.00           C  
HETATM   44  C   UNL     1       2.246  -4.596   1.687  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.493  -0.632  -0.420  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.730  -0.525  -1.231  1.00  0.00           C  
HETATM   47  N   UNL     1      -8.844   1.343   1.281  1.00  0.00           N  
HETATM   48  N   UNL     1      -6.815   0.665   1.492  1.00  0.00           N  
HETATM   49  N   UNL     1      -8.333   1.693   2.543  1.00  0.00           N  
HETATM   50  N   UNL     1      -7.122   1.255   2.591  1.00  0.00           N  
HETATM   51  H   UNL     1      -5.906  -1.557  -2.922  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.892   0.716  -1.089  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.958  -1.375  -4.262  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.939  -0.240  -3.352  1.00  0.00           H  
HETATM   55  H   UNL     1       8.324  -2.188   1.822  1.00  0.00           H  
HETATM   56  H   UNL     1       5.803   0.638   3.784  1.00  0.00           H  
HETATM   57  H   UNL     1       3.301  -1.417  -4.397  1.00  0.00           H  
HETATM   58  H   UNL     1       3.964  -3.861  -0.965  1.00  0.00           H  
HETATM   59  H   UNL     1       2.411   2.823   1.152  1.00  0.00           H  
HETATM   60  H   UNL     1       3.160   0.282   1.740  1.00  0.00           H  
HETATM   61  H   UNL     1       4.008  -0.568   0.424  1.00  0.00           H  
HETATM   62  H   UNL     1       7.491  -1.152   3.894  1.00  0.00           H  
HETATM   63  H   UNL     1       3.034  -3.566  -3.225  1.00  0.00           H  
HETATM   64  H   UNL     1       0.390   2.715  -0.178  1.00  0.00           H  
HETATM   65  H   UNL     1       1.236   1.865  -1.497  1.00  0.00           H  
HETATM   66  H   UNL     1       1.985  -0.673  -0.914  1.00  0.00           H  
HETATM   67  H   UNL     1       1.549  -1.223   0.723  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.868  -1.936   2.362  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.944  -0.191   2.707  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.890  -2.510  -0.027  1.00  0.00           H  
HETATM   71  H   UNL     1       0.512  -1.487  -0.422  1.00  0.00           H  
HETATM   72  H   UNL     1       7.259   1.798  -1.290  1.00  0.00           H  
HETATM   73  H   UNL     1       7.516   0.114  -1.806  1.00  0.00           H  
HETATM   74  H   UNL     1       6.415   1.168  -2.726  1.00  0.00           H  
HETATM   75  H   UNL     1       7.463  -1.441  -0.361  1.00  0.00           H  
HETATM   76  H   UNL     1       4.943   1.385   1.601  1.00  0.00           H  
HETATM   77  H   UNL     1       4.490   0.441  -3.303  1.00  0.00           H  
HETATM   78  H   UNL     1       5.157  -2.004   0.127  1.00  0.00           H  
HETATM   79  H   UNL     1       3.545   5.586  -0.695  1.00  0.00           H  
HETATM   80  H   UNL     1       1.496  -1.978   1.800  1.00  0.00           H  
HETATM   81  H   UNL     1       0.095  -3.002   2.195  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.215  -2.913   0.599  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.401   1.266   1.437  1.00  0.00           H  
HETATM   84  H   UNL     1       0.627  -4.473   0.271  1.00  0.00           H  
HETATM   85  H   UNL     1       2.029  -3.450  -0.124  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.266  -2.744  -0.749  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.454   1.454   0.094  1.00  0.00           H  
HETATM   88  H   UNL     1       2.720  -5.439   1.184  1.00  0.00           H  
HETATM   89  H   UNL     1       3.013  -3.941   2.099  1.00  0.00           H  
HETATM   90  H   UNL     1       1.612  -4.964   2.493  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.731   1.526   0.932  1.00  0.00           H  
CONECT    1    2   25   24    3                                       
CONECT    2   26   26   27    1                                       
CONECT    3    1   29   29   28                                       
CONECT    4   46    6    7    7                                       
CONECT    5   46   46    8   51                                       
CONECT    6   48   48    4   47                                       
CONECT    7    4    4    9   52                                       
CONECT    8    5    9    9   53                                       
CONECT    9    8    8    7   54                                       
CONECT   10   16   16   26   55                                       
CONECT   11   16   27   27   56                                       
CONECT   12   28   28   17   57                                       
CONECT   13   29   17   17   58                                       
CONECT   14   18   30   19   59                                       
CONECT   15   30   20   60   61                                       
CONECT   16   10   10   11   62                                       
CONECT   17   13   13   12   63                                       
CONECT   18   14   32   64   65                                       
CONECT   19   14   33   33   34                                       
CONECT   20   15   32   66   67                                       
CONECT   21   36   36   32   35                                       
CONECT   22   35   37   68   69                                       
CONECT   23   38   35   70   71                                       
CONECT   24    1   31   31   30                                       
CONECT   25    1   72   73   74                                       
CONECT   26   10    2    2   75                                       
CONECT   27   11   11    2   76                                       
CONECT   28    3   12   12   77                                       
CONECT   29    3    3   13   78                                       
CONECT   30   24   14   15                                            
CONECT   31   24   24                                                 
CONECT   32   18   21   20                                            
CONECT   33   19   19                                                 
CONECT   34   19   79                                                 
CONECT   35   21   23   22                                            
CONECT   36   21   21                                                 
CONECT   37   22   39   39   40                                       
CONECT   38   41   23   80   81                                       
CONECT   39   37   37   42   82                                       
CONECT   40   37   43   43   83                                       
CONECT   41   44   38   84   85                                       
CONECT   42   39   45   45   86                                       
CONECT   43   40   40   45   87                                       
CONECT   44   41   88   89   90                                       
CONECT   45   42   42   43   46                                       
CONECT   46   45    5    5    4                                       
CONECT   47    6   49   91                                            
CONECT   48   50    6    6                                            
CONECT   49   50   50   47                                            
CONECT   50   48   49   49                                            
CONECT   51    5                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   34                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   44                                                      
CONECT   90   44                                                      
CONECT   91   47                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
