COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.756  -1.027   0.003  1.00  0.00           C  
HETATM    2  C   UNL     1       6.863  -1.302   1.024  1.00  0.00           C  
HETATM    3  C   UNL     1       8.186  -0.736   0.505  1.00  0.00           C  
HETATM    4  C   UNL     1       8.048   0.773   0.297  1.00  0.00           C  
HETATM    5  C   UNL     1       6.942   1.048  -0.724  1.00  0.00           C  
HETATM    6  C   UNL     1       5.618   0.482  -0.206  1.00  0.00           C  
HETATM    7  O   UNL     1       6.088  -1.652  -1.239  1.00  0.00           O  
HETATM    8  O   UNL     1       9.220  -0.993   1.458  1.00  0.00           O  
HETATM    9  O   UNL     1       9.285   1.302  -0.187  1.00  0.00           O  
HETATM   10  O   UNL     1       6.813   2.458  -0.919  1.00  0.00           O  
HETATM   11  C   UNL     1       4.512   0.757  -1.226  1.00  0.00           C  
HETATM   12  N   UNL     1       3.224   0.322  -0.679  1.00  0.00           N  
HETATM   13  N   UNL     1       2.953  -0.854  -0.232  1.00  0.00           N  
HETATM   14  N   UNL     1       1.734  -0.904   0.176  1.00  0.00           N  
HETATM   15  C   UNL     1       1.167   0.294  -0.007  1.00  0.00           C  
HETATM   16  C   UNL     1       2.117   1.090  -0.551  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.249   0.683   0.334  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.221  -0.275  -0.358  1.00  0.00           C  
HETATM   19  H   UNL     1       4.813  -1.431   0.373  1.00  0.00           H  
HETATM   20  H   UNL     1       6.961  -2.377   1.172  1.00  0.00           H  
HETATM   21  H   UNL     1       8.439  -1.212  -0.442  1.00  0.00           H  
HETATM   22  H   UNL     1       7.795   1.250   1.244  1.00  0.00           H  
HETATM   23  H   UNL     1       7.195   0.572  -1.671  1.00  0.00           H  
HETATM   24  H   UNL     1       5.365   0.958   0.742  1.00  0.00           H  
HETATM   25  H   UNL     1       6.191  -2.611  -1.181  1.00  0.00           H  
HETATM   26  H   UNL     1       9.363  -1.931   1.640  1.00  0.00           H  
HETATM   27  H   UNL     1      10.032   1.164   0.410  1.00  0.00           H  
HETATM   28  H   UNL     1       7.616   2.885  -1.247  1.00  0.00           H  
HETATM   29  H   UNL     1       4.473   1.825  -1.441  1.00  0.00           H  
HETATM   30  H   UNL     1       4.720   0.208  -2.144  1.00  0.00           H  
HETATM   31  H   UNL     1       2.011   2.127  -0.831  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.391   0.628   1.413  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.437   1.701  -0.007  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.079  -0.221  -1.437  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.032  -1.293  -0.017  1.00  0.00           H  
HETATM   36  O   UNL     1       6.531  -0.678   2.266  1.00  0.00           O1-
HETATM   37  C   UNL     1      -2.658   0.120  -0.012  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.566  -0.775  -0.658  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.892  -0.561  -0.453  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.829  -1.394  -1.051  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.175  -1.180  -0.845  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.596  -0.127  -0.034  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.654   0.707   0.565  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.309   0.485   0.359  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.044   0.106   0.189  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.466   1.158   0.999  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.815   1.370   1.203  1.00  0.00           C  
HETATM   48  C   UNL     1     -11.746   0.540   0.607  1.00  0.00           C  
HETATM   49  C   UNL     1     -11.333  -0.506  -0.198  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.987  -0.724  -0.414  1.00  0.00           C  
HETATM   51  H   UNL     1      -2.800   0.066   1.067  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.847   1.138  -0.352  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.502  -2.210  -1.679  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.903  -1.828  -1.310  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.977   1.524   1.192  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.578   1.131   0.823  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.740   1.807   1.466  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.143   2.186   1.831  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.800   0.710   0.770  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.065  -1.151  -0.662  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.666  -1.541  -1.043  1.00  0.00           H  
CONECT    1    2    7    6   19                                       
CONECT    2    1    3   20   36                                       
CONECT    3    2    8    4   21                                       
CONECT    4    3    5    9   22                                       
CONECT    5    6    4   10   23                                       
CONECT    6    1   11    5   24                                       
CONECT    7    1   25                                                 
CONECT    8    3   26                                                 
CONECT    9    4   27                                                 
CONECT   10    5   28                                                 
CONECT   11   12    6   29   30                                       
CONECT   12   16   13   11                                            
CONECT   13   14   14   12                                            
CONECT   14   15   13   13                                            
CONECT   15   17   16   16   14                                       
CONECT   16   15   15   12   31                                       
CONECT   17   18   15   32   33                                       
CONECT   18   17   34   35   37                                       
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36    2                                                      
CONECT   37   18   38   51   52                                       
CONECT   38   37   39                                                 
CONECT   39   38   40   44   44                                       
CONECT   40   39   41   41   53                                       
CONECT   41   40   40   42   54                                       
CONECT   42   41   43   43   45                                       
CONECT   43   42   42   44   55                                       
CONECT   44   43   39   39   56                                       
CONECT   45   42   46   50   50                                       
CONECT   46   45   47   47   57                                       
CONECT   47   46   46   48   58                                       
CONECT   48   47   49   49   59                                       
CONECT   49   48   48   50   60                                       
CONECT   50   49   45   45   61                                       
CONECT   51   37                                                      
CONECT   52   37                                                      
CONECT   53   40                                                      
CONECT   54   41                                                      
CONECT   55   43                                                      
CONECT   56   44                                                      
CONECT   57   46                                                      
CONECT   58   47                                                      
CONECT   59   48                                                      
CONECT   60   49                                                      
CONECT   61   50                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
