COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.007  -0.756   0.098  1.00  0.00           C  
HETATM    2  O   UNL     1       5.860  -1.940  -0.123  1.00  0.00           O  
HETATM    3  C   UNL     1       7.390  -0.156   0.104  1.00  0.00           C  
HETATM    4  C   UNL     1       8.420  -1.247  -0.195  1.00  0.00           C  
HETATM    5  C   UNL     1       9.803  -0.648  -0.190  1.00  0.00           C  
HETATM    6  O   UNL     1       9.949   0.531   0.030  1.00  0.00           O  
HETATM    7  O   UNL     1      10.872  -1.423  -0.430  1.00  0.00           O  
HETATM    8  C   UNL     1      12.172  -0.778  -0.409  1.00  0.00           C  
HETATM    9  N   UNL     1       4.934   0.024   0.334  1.00  0.00           N  
HETATM   10  C   UNL     1       3.589  -0.558   0.323  1.00  0.00           C  
HETATM   11  C   UNL     1       2.581   0.513  -0.004  1.00  0.00           C  
HETATM   12  O   UNL     1       2.949   1.651  -0.207  1.00  0.00           O  
HETATM   13  C   UNL     1       3.278  -1.149   1.699  1.00  0.00           C  
HETATM   14  N   UNL     1       1.270   0.207  -0.069  1.00  0.00           N  
HETATM   15  C   UNL     1       0.290   1.249  -0.387  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.054   0.863   0.178  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.320  -0.305   0.365  1.00  0.00           O  
HETATM   18  C   UNL     1       0.180   1.401  -1.905  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.959   1.816   0.475  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.262   1.590   1.116  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.095   0.660   0.272  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.649   0.223  -0.768  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.960   2.962   1.230  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.253   3.804   0.136  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.803   3.259   0.215  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.334   0.314   0.672  1.00  0.00           N  
HETATM   27  C   UNL     1      -6.143  -0.590  -0.149  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.797  -1.644   0.747  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.642  -2.588  -0.110  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.297  -3.642   0.785  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.142  -4.587  -0.072  1.00  0.00           C  
HETATM   32  B   UNL     1      -7.257   0.232  -0.889  1.00  0.00           B  
HETATM   33  O   UNL     1      -7.737  -0.202  -2.154  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.786   1.408  -0.295  1.00  0.00           O  
HETATM   35  H   UNL     1       7.452   0.620  -0.659  1.00  0.00           H  
HETATM   36  H   UNL     1       7.594   0.278   1.082  1.00  0.00           H  
HETATM   37  H   UNL     1       8.358  -2.024   0.567  1.00  0.00           H  
HETATM   38  H   UNL     1       8.216  -1.682  -1.174  1.00  0.00           H  
HETATM   39  H   UNL     1      12.344  -0.338   0.573  1.00  0.00           H  
HETATM   40  H   UNL     1      12.947  -1.516  -0.617  1.00  0.00           H  
HETATM   41  H   UNL     1      12.202   0.004  -1.168  1.00  0.00           H  
HETATM   42  H   UNL     1       5.051   0.970   0.510  1.00  0.00           H  
HETATM   43  H   UNL     1       3.540  -1.345  -0.430  1.00  0.00           H  
HETATM   44  H   UNL     1       2.278  -1.582   1.691  1.00  0.00           H  
HETATM   45  H   UNL     1       4.007  -1.924   1.935  1.00  0.00           H  
HETATM   46  H   UNL     1       3.327  -0.363   2.452  1.00  0.00           H  
HETATM   47  H   UNL     1       0.975  -0.703   0.093  1.00  0.00           H  
HETATM   48  H   UNL     1       0.610   2.194   0.051  1.00  0.00           H  
HETATM   49  H   UNL     1       1.168   1.593  -2.323  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.224   0.484  -2.334  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.482   2.234  -2.140  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.118   1.162   2.108  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.026   2.871   1.019  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.797   3.397   2.217  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.691   3.617  -0.845  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.284   4.866   0.380  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.261   3.735   1.033  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.285   3.421  -0.730  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.690   0.664   1.504  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.506  -1.082  -0.883  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.024  -2.214   1.261  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.435  -1.152   1.482  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.416  -2.018  -0.624  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.005  -3.080  -0.845  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.523  -4.213   1.299  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.934  -3.150   1.520  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.915  -4.016  -0.586  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.504  -5.079  -0.807  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.608  -5.337   0.566  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.318  -1.011  -2.477  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.398   1.623   0.565  1.00  0.00           H  
CONECT    1    2    2    3    9                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   35   36                                       
CONECT    4    3    5   37   38                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8                                                 
CONECT    8    7   39   40   41                                       
CONECT    9   10   42    1                                            
CONECT   10    9   11   13   43                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11                                                 
CONECT   13   10   44   45   46                                       
CONECT   14   15   47   11                                            
CONECT   15   14   16   18   48                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16                                                 
CONECT   18   15   49   50   51                                       
CONECT   19   20   25   16                                            
CONECT   20   19   21   23   52                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   53   54                                       
CONECT   24   23   25   55   56                                       
CONECT   25   19   24   57   58                                       
CONECT   26   27   59   21                                            
CONECT   27   26   28   32   60                                       
CONECT   28   27   29   61   62                                       
CONECT   29   28   30   63   64                                       
CONECT   30   29   31   65   66                                       
CONECT   31   30   67   68   69                                       
CONECT   32   27   33   34                                            
CONECT   33   32   70                                                 
CONECT   34   32   71                                                 
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
