COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.600   1.724  -3.790  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.779   1.034  -3.369  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.380  -0.185  -2.918  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.037  -0.527  -2.935  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.633  -1.767  -2.476  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.173  -2.137  -2.495  1.00  0.00           C  
HETATM    7  N   UNL     1       0.481  -1.610  -1.295  1.00  0.00           N  
HETATM    8  C   UNL     1       0.605  -2.523  -0.165  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.396  -2.124   0.921  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.944  -3.364   1.579  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.342  -3.866   2.718  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.845  -5.003   3.322  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.950  -5.639   2.787  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.552  -5.137   1.648  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.052  -3.997   1.047  1.00  0.00           C  
HETATM   16  C   UNL     1       2.027  -2.468   0.417  1.00  0.00           C  
HETATM   17  O   UNL     1       2.308  -3.684   1.113  1.00  0.00           O  
HETATM   18  C   UNL     1       2.117  -1.291   1.380  1.00  0.00           C  
HETATM   19  N   UNL     1       1.258  -0.187   0.997  1.00  0.00           N  
HETATM   20  N   UNL     1       1.350   0.351  -0.297  1.00  0.00           N  
HETATM   21  C   UNL     1       1.939   1.677  -0.504  1.00  0.00           C  
HETATM   22  C   UNL     1       3.398   1.530  -0.851  1.00  0.00           C  
HETATM   23  C   UNL     1       3.783   1.407  -2.173  1.00  0.00           C  
HETATM   24  C   UNL     1       5.121   1.272  -2.497  1.00  0.00           C  
HETATM   25  C   UNL     1       6.078   1.261  -1.495  1.00  0.00           C  
HETATM   26  O   UNL     1       7.394   1.129  -1.812  1.00  0.00           O  
HETATM   27  C   UNL     1       5.690   1.386  -0.164  1.00  0.00           C  
HETATM   28  O   UNL     1       6.626   1.375   0.822  1.00  0.00           O  
HETATM   29  C   UNL     1       5.924   1.520   2.059  1.00  0.00           C  
HETATM   30  C   UNL     1       4.348   1.525   0.153  1.00  0.00           C  
HETATM   31  C   UNL     1       0.899  -0.362  -1.351  1.00  0.00           C  
HETATM   32  O   UNL     1       0.867   0.193  -2.432  1.00  0.00           O  
HETATM   33  C   UNL     1       0.375   0.321   1.879  1.00  0.00           C  
HETATM   34  O   UNL     1       0.297  -0.146   2.996  1.00  0.00           O  
HETATM   35  C   UNL     1      -0.516   1.468   1.478  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.417   1.849   2.655  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.308   2.997   2.254  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.545   2.745   1.688  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.363   3.795   1.319  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.944   5.103   1.518  1.00  0.00           C  
HETATM   41  O   UNL     1      -4.747   6.138   1.156  1.00  0.00           O  
HETATM   42  C   UNL     1      -2.703   5.352   2.086  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.891   4.299   2.458  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.567  -2.668  -1.998  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.908  -2.333  -1.978  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.319  -1.090  -2.431  1.00  0.00           C  
HETATM   47  O   UNL     1      -5.638  -0.759  -2.412  1.00  0.00           O  
HETATM   48  H   UNL     1      -2.871   2.712  -4.162  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.919   1.828  -2.945  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.111   1.159  -4.583  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.306   0.175  -3.308  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.073  -3.222  -2.516  1.00  0.00           H  
HETATM   53  H   UNL     1       0.298  -1.711  -3.382  1.00  0.00           H  
HETATM   54  H   UNL     1       0.391  -3.539  -0.497  1.00  0.00           H  
HETATM   55  H   UNL     1       0.104  -1.507   1.668  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.213  -1.560   0.472  1.00  0.00           H  
HETATM   57  H   UNL     1       0.521  -3.369   3.136  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.374  -5.396   4.211  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.342  -6.528   3.258  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.415  -5.634   1.230  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.522  -3.605   0.158  1.00  0.00           H  
HETATM   62  H   UNL     1       2.747  -2.335  -0.391  1.00  0.00           H  
HETATM   63  H   UNL     1       3.207  -3.606   1.460  1.00  0.00           H  
HETATM   64  H   UNL     1       1.833  -1.630   2.376  1.00  0.00           H  
HETATM   65  H   UNL     1       3.149  -0.940   1.411  1.00  0.00           H  
HETATM   66  H   UNL     1       1.420   2.181  -1.319  1.00  0.00           H  
HETATM   67  H   UNL     1       1.840   2.265   0.408  1.00  0.00           H  
HETATM   68  H   UNL     1       3.038   1.416  -2.955  1.00  0.00           H  
HETATM   69  H   UNL     1       5.419   1.176  -3.530  1.00  0.00           H  
HETATM   70  H   UNL     1       7.742   2.022  -1.940  1.00  0.00           H  
HETATM   71  H   UNL     1       6.637   1.517   2.883  1.00  0.00           H  
HETATM   72  H   UNL     1       5.375   2.461   2.057  1.00  0.00           H  
HETATM   73  H   UNL     1       5.226   0.691   2.179  1.00  0.00           H  
HETATM   74  H   UNL     1       4.045   1.622   1.184  1.00  0.00           H  
HETATM   75  H   UNL     1       0.097   2.324   1.199  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.133   1.170   0.630  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.031   0.993   2.935  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.801   2.147   3.503  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.870   1.727   1.534  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.328   3.599   0.876  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.297   6.346   1.924  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.374   6.369   2.241  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.925   4.492   2.901  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.247  -3.636  -1.640  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.635  -3.039  -1.604  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.793  -0.277  -1.588  1.00  0.00           H  
CONECT    1    2   48   49   50                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   46                                       
CONECT    4    3    3    5   51                                       
CONECT    5    4    6   44   44                                       
CONECT    6    5    7   52   53                                       
CONECT    7    6    8   31                                            
CONECT    8    7    9   16   54                                       
CONECT    9    8   10   55   56                                       
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   57                                       
CONECT   12   11   13   13   58                                       
CONECT   13   12   12   14   59                                       
CONECT   14   13   15   15   60                                       
CONECT   15   10   14   14   61                                       
CONECT   16    8   17   18   62                                       
CONECT   17   16   63                                                 
CONECT   18   16   19   64   65                                       
CONECT   19   18   20   33                                            
CONECT   20   19   21   31                                            
CONECT   21   20   22   66   67                                       
CONECT   22   21   23   23   30                                       
CONECT   23   22   22   24   68                                       
CONECT   24   23   25   25   69                                       
CONECT   25   24   24   26   27                                       
CONECT   26   25   70                                                 
CONECT   27   25   28   30   30                                       
CONECT   28   27   29                                                 
CONECT   29   28   71   72   73                                       
CONECT   30   22   27   27   74                                       
CONECT   31    7   20   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   19   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   75   76                                       
CONECT   36   35   37   77   78                                       
CONECT   37   36   38   38   43                                       
CONECT   38   37   37   39   79                                       
CONECT   39   38   40   40   80                                       
CONECT   40   39   39   41   42                                       
CONECT   41   40   81                                                 
CONECT   42   40   43   43   82                                       
CONECT   43   37   42   42   83                                       
CONECT   44    5    5   45   84                                       
CONECT   45   44   46   46   85                                       
CONECT   46    3   45   45   47                                       
CONECT   47   46   86                                                 
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    4                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
CONECT   86   47                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
