COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.641   2.244  -0.095  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.212   1.882   0.070  1.00  0.00           C  
HETATM    3  O   UNL     1       2.417   2.832  -0.098  1.00  0.00           O  
HETATM    4  C   UNL     1       1.285   1.974   0.057  1.00  0.00           C  
HETATM    5  C   UNL     1       0.004   2.810   0.029  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.023   3.680   1.163  1.00  0.00           O  
HETATM    7  O   UNL     1      -2.406   2.654  -0.073  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.583   1.977  -0.058  1.00  0.00           C  
HETATM    9  H   UNL     1      -1.146   1.160  -0.744  1.00  0.00           H  
HETATM   10  H   UNL     1      -1.233   1.353   1.023  1.00  0.00           H  
HETATM   11  H   UNL     1       1.264   1.249  -0.757  1.00  0.00           H  
HETATM   12  H   UNL     1       1.355   1.449   1.010  1.00  0.00           H  
HETATM   13  H   UNL     1      -0.023   3.404  -0.885  1.00  0.00           H  
HETATM   14  H   UNL     1      -0.001   3.218   2.013  1.00  0.00           H  
HETATM   15  C   UNL     1       4.783   3.021  -0.242  1.00  0.00           C  
HETATM   16  C   UNL     1       6.027   2.429  -0.240  1.00  0.00           C  
HETATM   17  C   UNL     1       6.139   1.045  -0.089  1.00  0.00           C  
HETATM   18  C   UNL     1       4.988   0.267   0.059  1.00  0.00           C  
HETATM   19  C   UNL     1       3.748   0.868   0.060  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.781   2.668  -0.192  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.978   1.985  -0.178  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.985   0.597  -0.027  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.779  -0.094   0.108  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.586   0.596   0.087  1.00  0.00           C  
HETATM   25  C   UNL     1       7.470   0.405  -0.086  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.266  -0.140  -0.010  1.00  0.00           C  
HETATM   27  N   UNL     1       7.699  -0.936   0.054  1.00  0.00           N  
HETATM   28  C   UNL     1       9.068  -1.122   0.003  1.00  0.00           C  
HETATM   29  C   UNL     1       9.631   0.158  -0.171  1.00  0.00           C  
HETATM   30  N   UNL     1       8.612   1.038  -0.223  1.00  0.00           N  
HETATM   31  N   UNL     1      -7.393  -1.496   0.131  1.00  0.00           N  
HETATM   32  C   UNL     1      -8.741  -1.788   0.097  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.404  -0.557  -0.070  1.00  0.00           C  
HETATM   34  N   UNL     1      -8.452   0.408  -0.123  1.00  0.00           N  
HETATM   35  C   UNL     1     -10.797  -0.531  -0.141  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.510  -1.723  -0.046  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.833  -2.938   0.119  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.470  -2.967   0.189  1.00  0.00           C  
HETATM   39  C   UNL     1      11.023   0.298  -0.259  1.00  0.00           C  
HETATM   40  C   UNL     1      11.826  -0.799  -0.177  1.00  0.00           C  
HETATM   41  C   UNL     1      11.272  -2.075  -0.004  1.00  0.00           C  
HETATM   42  C   UNL     1       9.888  -2.232   0.085  1.00  0.00           C  
HETATM   43  C   UNL     1      12.153  -3.254   0.083  1.00  0.00           C  
HETATM   44  O   UNL     1      13.490  -3.104  -0.004  1.00  0.00           O  
HETATM   45  O   UNL     1      11.674  -4.361   0.233  1.00  0.00           O  
HETATM   46  H   UNL     1       4.696   4.092  -0.359  1.00  0.00           H  
HETATM   47  H   UNL     1       6.914   3.033  -0.355  1.00  0.00           H  
HETATM   48  H   UNL     1       5.070  -0.803   0.175  1.00  0.00           H  
HETATM   49  H   UNL     1       2.858   0.267   0.175  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.774   3.741  -0.308  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.908   2.522  -0.282  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.781  -1.168   0.225  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.653   0.062   0.191  1.00  0.00           H  
HETATM   54  H   UNL     1       7.027  -1.627   0.167  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.670  -2.134   0.235  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.318   0.407  -0.268  1.00  0.00           H  
HETATM   57  H   UNL     1     -11.393  -3.859   0.192  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.957  -3.909   0.317  1.00  0.00           H  
HETATM   59  H   UNL     1      11.459   1.277  -0.393  1.00  0.00           H  
HETATM   60  H   UNL     1      12.898  -0.685  -0.246  1.00  0.00           H  
HETATM   61  H   UNL     1       9.460  -3.215   0.219  1.00  0.00           H  
HETATM   62  H   UNL     1      14.026  -3.906   0.059  1.00  0.00           H  
HETATM   63  C   UNL     1     -12.984  -1.706  -0.120  1.00  0.00           C  
HETATM   64  O   UNL     1     -13.676  -2.858  -0.029  1.00  0.00           O  
HETATM   65  O   UNL     1     -13.573  -0.653  -0.263  1.00  0.00           O  
HETATM   66  H   UNL     1     -14.640  -2.796  -0.083  1.00  0.00           H  
CONECT    1    3   15   19   19                                       
CONECT    2    5    7    9   10                                       
CONECT    3    1    4                                                 
CONECT    4    5    3   11   12                                       
CONECT    5    6    4    2   13                                       
CONECT    6    5   14                                                 
CONECT    7    8    2                                                 
CONECT    8    7   20   24   24                                       
CONECT    9    2                                                      
CONECT   10    2                                                      
CONECT   11    4                                                      
CONECT   12    4                                                      
CONECT   13    5                                                      
CONECT   14    6                                                      
CONECT   15    1   16   16   46                                       
CONECT   16   15   15   17   47                                       
CONECT   17   16   18   18   25                                       
CONECT   18   17   17   19   48                                       
CONECT   19   18    1    1   49                                       
CONECT   20    8   21   21   50                                       
CONECT   21   20   20   22   51                                       
CONECT   22   21   23   23   26                                       
CONECT   23   22   22   24   52                                       
CONECT   24   23    8    8   53                                       
CONECT   25   17   27   30   30                                       
CONECT   26   22   31   34   34                                       
CONECT   27   25   28   54                                            
CONECT   28   27   29   42   42                                       
CONECT   29   28   30   39   39                                       
CONECT   30   29   25   25                                            
CONECT   31   26   32   55                                            
CONECT   32   31   33   38   38                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33   26   26                                            
CONECT   35   33   33   36   56                                       
CONECT   36   35   37   37   63                                       
CONECT   37   36   36   38   57                                       
CONECT   38   37   32   32   58                                       
CONECT   39   29   29   40   59                                       
CONECT   40   39   41   41   60                                       
CONECT   41   40   40   42   43                                       
CONECT   42   41   28   28   61                                       
CONECT   43   41   44   45   45                                       
CONECT   44   43   62                                                 
CONECT   45   43   43                                                 
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   27                                                      
CONECT   55   31                                                      
CONECT   56   35                                                      
CONECT   57   37                                                      
CONECT   58   38                                                      
CONECT   59   39                                                      
CONECT   60   40                                                      
CONECT   61   42                                                      
CONECT   62   44                                                      
CONECT   63   36   64   65   65                                       
CONECT   64   63   66                                                 
CONECT   65   63   63                                                 
CONECT   66   64                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
