COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.452   2.893   0.122  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.266   1.584  -0.649  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.329  -0.491  -0.952  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.012  -1.612  -1.692  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.425  -0.032   2.069  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.397   1.398   1.607  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.210   0.652   0.509  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.517   0.342   0.618  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.208   0.261  -0.380  1.00  0.00           O  
HETATM   10  C   UNL     1      -6.108   0.102   1.943  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.113  -0.517  -0.577  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.422  -1.296  -0.737  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.003  -1.607   0.644  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.419  -0.446  -1.531  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.133  -1.334   0.267  1.00  0.00           C  
HETATM   16  C   UNL     1       1.195  -0.625   0.322  1.00  0.00           C  
HETATM   17  C   UNL     1       2.309  -1.273  -0.003  1.00  0.00           C  
HETATM   18  C   UNL     1       2.250  -2.734  -0.370  1.00  0.00           C  
HETATM   19  C   UNL     1       3.598  -0.565  -0.004  1.00  0.00           C  
HETATM   20  C   UNL     1       4.712  -1.214  -0.329  1.00  0.00           C  
HETATM   21  C   UNL     1       6.033  -0.488  -0.330  1.00  0.00           C  
HETATM   22  C   UNL     1       7.023  -1.231   0.571  1.00  0.00           C  
HETATM   23  C   UNL     1       8.344  -0.455   0.612  1.00  0.00           C  
HETATM   24  C   UNL     1       9.314  -1.147   1.572  1.00  0.00           C  
HETATM   25  C   UNL     1       8.071   0.971   1.099  1.00  0.00           C  
HETATM   26  C   UNL     1       7.040   1.628   0.178  1.00  0.00           C  
HETATM   27  C   UNL     1       6.717   3.032   0.693  1.00  0.00           C  
HETATM   28  C   UNL     1       6.683   2.318  -2.089  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.342   0.479   0.988  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.621   0.891  -0.811  1.00  0.00           C  
HETATM   31  O   UNL     1      -8.998  -0.643   0.340  1.00  0.00           O  
HETATM   32  O   UNL     1      -9.078   0.544  -1.522  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.377   0.729   0.071  1.00  0.00           O  
HETATM   34  O   UNL     1       7.255  -2.541   0.049  1.00  0.00           O  
HETATM   35  O   UNL     1       8.915  -0.414  -0.697  1.00  0.00           O  
HETATM   36  O   UNL     1       5.847   0.840   0.161  1.00  0.00           O  
HETATM   37  O   UNL     1       7.571   1.717  -1.145  1.00  0.00           O  
HETATM   38  H   UNL     1      -1.487   3.386   0.238  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.130   3.546  -0.428  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.871   2.679   1.105  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.847   1.799  -1.633  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.200  -1.307  -2.721  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.373  -2.495  -1.685  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.958  -1.846  -1.203  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.838  -0.508   2.947  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.060   1.768   0.825  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.977   0.842   2.343  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.904   2.240   2.094  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.659   0.716   1.304  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.472   0.036   2.814  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.679  -0.331  -1.560  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.230  -2.227  -1.269  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.968  -0.711   1.264  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.037  -1.935   0.538  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.418  -2.397   1.115  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.027  -0.266  -2.532  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.371  -0.972  -1.602  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.528  -1.445   1.277  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.001  -2.319  -0.181  1.00  0.00           H  
HETATM   60  H   UNL     1       1.242   0.411   0.625  1.00  0.00           H  
HETATM   61  H   UNL     1       1.999  -2.833  -1.426  1.00  0.00           H  
HETATM   62  H   UNL     1       3.220  -3.194  -0.182  1.00  0.00           H  
HETATM   63  H   UNL     1       1.489  -3.230   0.233  1.00  0.00           H  
HETATM   64  H   UNL     1       3.640   0.481   0.259  1.00  0.00           H  
HETATM   65  H   UNL     1       4.670  -2.260  -0.592  1.00  0.00           H  
HETATM   66  H   UNL     1       6.425  -0.449  -1.346  1.00  0.00           H  
HETATM   67  H   UNL     1       6.614  -1.306   1.578  1.00  0.00           H  
HETATM   68  H   UNL     1       9.501  -2.165   1.228  1.00  0.00           H  
HETATM   69  H   UNL     1      10.253  -0.595   1.600  1.00  0.00           H  
HETATM   70  H   UNL     1       8.878  -1.176   2.571  1.00  0.00           H  
HETATM   71  H   UNL     1       7.682   0.940   2.117  1.00  0.00           H  
HETATM   72  H   UNL     1       8.997   1.546   1.080  1.00  0.00           H  
HETATM   73  H   UNL     1       7.626   3.632   0.707  1.00  0.00           H  
HETATM   74  H   UNL     1       5.982   3.500   0.037  1.00  0.00           H  
HETATM   75  H   UNL     1       6.311   2.964   1.703  1.00  0.00           H  
HETATM   76  H   UNL     1       7.160   2.348  -3.069  1.00  0.00           H  
HETATM   77  H   UNL     1       5.765   1.733  -2.150  1.00  0.00           H  
HETATM   78  H   UNL     1       6.446   3.333  -1.769  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.761   1.035   0.252  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.287   1.524  -1.398  1.00  0.00           H  
HETATM   81  H   UNL     1       6.459  -3.087  -0.010  1.00  0.00           H  
HETATM   82  H   UNL     1       9.108  -1.285  -1.070  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    1   30   33   41                                       
CONECT    3   31    4   32   32                                       
CONECT    4    3   42   43   44                                       
CONECT    5   29   10   10   45                                       
CONECT    6   29   46   47   48                                       
CONECT    7    8   30   49                                            
CONECT    8   10    9    9    7                                       
CONECT    9    8    8                                                 
CONECT   10    5    5    8   50                                       
CONECT   11   33   12   15   51                                       
CONECT   12   14   11   13   52                                       
CONECT   13   12   53   54   55                                       
CONECT   14   30   12   56   57                                       
CONECT   15   11   16   58   59                                       
CONECT   16   15   17   17   60                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17   61   62   63                                       
CONECT   19   17   20   20   64                                       
CONECT   20   19   19   21   65                                       
CONECT   21   20   22   36   66                                       
CONECT   22   34   21   23   67                                       
CONECT   23   22   35   24   25                                       
CONECT   24   23   68   69   70                                       
CONECT   25   23   26   71   72                                       
CONECT   26   36   37   25   27                                       
CONECT   27   26   73   74   75                                       
CONECT   28   37   76   77   78                                       
CONECT   29    6   31    5   79                                       
CONECT   30    7    2   14   80                                       
CONECT   31   29    3                                                 
CONECT   32    3    3                                                 
CONECT   33    2   11                                                 
CONECT   34   22   81                                                 
CONECT   35   23   82                                                 
CONECT   36   21   26                                                 
CONECT   37   28   26                                                 
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
