COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.794   0.056  -2.312  1.00  0.00           C  
HETATM    2  C   UNL     1       6.356  -0.751  -1.117  1.00  0.00           C  
HETATM    3  C   UNL     1       7.110  -1.875  -0.548  1.00  0.00           C  
HETATM    4  C   UNL     1       8.328  -2.462  -0.914  1.00  0.00           C  
HETATM    5  C   UNL     1       8.820  -3.529  -0.194  1.00  0.00           C  
HETATM    6  C   UNL     1       8.118  -4.025   0.890  1.00  0.00           C  
HETATM    7  C   UNL     1       6.912  -3.452   1.260  1.00  0.00           C  
HETATM    8  C   UNL     1       6.410  -2.387   0.549  1.00  0.00           C  
HETATM    9  C   UNL     1       5.158  -1.556   0.689  1.00  0.00           C  
HETATM   10  C   UNL     1       5.224  -0.535  -0.423  1.00  0.00           C  
HETATM   11  C   UNL     1       4.228   0.501  -0.701  1.00  0.00           C  
HETATM   12  O   UNL     1       4.392   1.270  -1.630  1.00  0.00           O  
HETATM   13  N   UNL     1       3.128   0.604   0.071  1.00  0.00           N  
HETATM   14  C   UNL     1       2.131   1.640  -0.207  1.00  0.00           C  
HETATM   15  C   UNL     1       2.550   2.946   0.471  1.00  0.00           C  
HETATM   16  C   UNL     1       0.791   1.204   0.327  1.00  0.00           C  
HETATM   17  O   UNL     1       0.732   0.414   1.245  1.00  0.00           O  
HETATM   18  N   UNL     1      -0.342   1.693  -0.216  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.640   1.359   0.374  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.150   0.074  -0.226  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.493  -0.506  -1.065  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.635   2.485   0.089  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.194   3.738   0.800  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.570   4.135   2.026  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.269   4.752   0.287  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.965   5.322   2.338  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.163   5.727   1.295  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.553   4.898  -0.903  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.341   6.831   1.091  1.00  0.00           C  
HETATM   30  C   UNL     1       0.249   5.990  -1.082  1.00  0.00           C  
HETATM   31  C   UNL     1       0.357   6.956  -0.090  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.335  -0.431   0.169  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.830  -1.680  -0.415  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.794  -2.353   0.563  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.034  -2.769   1.824  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.004  -3.843   1.467  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.243  -4.259   2.728  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.228  -4.819   3.756  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.258  -3.745   4.113  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.018  -3.329   2.853  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.551  -1.381  -1.704  1.00  0.00           C  
HETATM   42  O   UNL     1      -4.880  -0.248  -1.963  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.860  -2.495  -2.671  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.649  -2.737  -3.574  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.067  -2.107  -3.528  1.00  0.00           C  
HETATM   46  O   UNL     1      -6.432  -3.207  -4.363  1.00  0.00           O  
HETATM   47  H   UNL     1       7.746  -0.326  -2.679  1.00  0.00           H  
HETATM   48  H   UNL     1       6.043  -0.023  -3.099  1.00  0.00           H  
HETATM   49  H   UNL     1       6.909   1.101  -2.023  1.00  0.00           H  
HETATM   50  H   UNL     1       8.880  -2.079  -1.760  1.00  0.00           H  
HETATM   51  H   UNL     1       9.760  -3.980  -0.478  1.00  0.00           H  
HETATM   52  H   UNL     1       8.510  -4.862   1.448  1.00  0.00           H  
HETATM   53  H   UNL     1       6.366  -3.842   2.106  1.00  0.00           H  
HETATM   54  H   UNL     1       4.274  -2.184   0.576  1.00  0.00           H  
HETATM   55  H   UNL     1       5.143  -1.056   1.657  1.00  0.00           H  
HETATM   56  H   UNL     1       2.997  -0.009   0.812  1.00  0.00           H  
HETATM   57  H   UNL     1       2.060   1.796  -1.284  1.00  0.00           H  
HETATM   58  H   UNL     1       2.540   2.813   1.553  1.00  0.00           H  
HETATM   59  H   UNL     1       3.555   3.217   0.147  1.00  0.00           H  
HETATM   60  H   UNL     1       1.854   3.738   0.196  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.297   2.266  -0.998  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.529   1.237   1.452  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.675   2.672  -0.985  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.624   2.195   0.443  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.249   3.597   2.671  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.083   5.805   3.171  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.632   4.151  -1.679  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.250   7.587   1.857  1.00  0.00           H  
HETATM   69  H   UNL     1       0.803   6.103  -2.002  1.00  0.00           H  
HETATM   70  H   UNL     1       0.994   7.814  -0.246  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.861   0.033   0.840  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.991  -2.346  -0.614  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.587  -1.655   0.831  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.231  -3.235   0.095  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.524  -1.902   2.244  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.514  -4.710   1.048  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.302  -3.444   0.734  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.510  -5.024   2.474  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.733  -3.392   3.147  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.738  -5.686   3.337  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.686  -5.115   4.654  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.959  -4.144   4.846  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.748  -2.878   4.533  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.752  -2.564   3.107  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.528  -4.196   2.433  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.087  -3.405  -2.115  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.423  -1.827  -4.130  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.790  -3.014  -2.964  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.873  -3.543  -4.273  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.904  -1.848  -2.880  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.810  -1.249  -4.149  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.192  -3.032  -4.935  1.00  0.00           H  
CONECT    1    2   47   48   49                                       
CONECT    2   10   10    1    3                                       
CONECT    3    2    8    8    4                                       
CONECT    4    3    5    5   50                                       
CONECT    5    4    4    6   51                                       
CONECT    6    7    7    5   52                                       
CONECT    7    8    6    6   53                                       
CONECT    8    9    3    3    7                                       
CONECT    9   10    8   54   55                                       
CONECT   10   11    9    2    2                                       
CONECT   11   13   12   12   10                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   56                                            
CONECT   14   16   15   13   57                                       
CONECT   15   14   58   59   60                                       
CONECT   16   18   17   17   14                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   61                                            
CONECT   19   20   22   18   62                                       
CONECT   20   32   21   21   19                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   63   64                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23   26   65                                       
CONECT   25   23   27   27   28                                       
CONECT   26   24   27   66                                            
CONECT   27   26   25   25   29                                       
CONECT   28   25   30   30   67                                       
CONECT   29   27   31   31   68                                       
CONECT   30   28   28   31   69                                       
CONECT   31   29   29   30   70                                       
CONECT   32   33   20   71                                            
CONECT   33   41   34   32   72                                       
CONECT   34   35   33   73   74                                       
CONECT   35   36   34   40   75                                       
CONECT   36   35   37   76   77                                       
CONECT   37   36   38   78   79                                       
CONECT   38   37   39   80   81                                       
CONECT   39   38   40   82   83                                       
CONECT   40   35   39   84   85                                       
CONECT   41   43   42   42   33                                       
CONECT   42   41   41                                                 
CONECT   43   44   41   45   86                                       
CONECT   44   43   87   88   89                                       
CONECT   45   43   46   90   91                                       
CONECT   46   45   92                                                 
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   40                                                      
CONECT   86   43                                                      
CONECT   87   44                                                      
CONECT   88   44                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   46                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
