COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.821   5.372  -0.196  1.00  0.00           C  
HETATM    2  O   UNL     1       3.213   4.424  -1.190  1.00  0.00           O  
HETATM    3  C   UNL     1       2.375   3.361  -1.070  1.00  0.00           C  
HETATM    4  C   UNL     1       2.517   2.269  -1.917  1.00  0.00           C  
HETATM    5  C   UNL     1       1.669   1.189  -1.799  1.00  0.00           C  
HETATM    6  C   UNL     1       1.382   3.368  -0.098  1.00  0.00           C  
HETATM    7  C   UNL     1       0.527   2.296   0.023  1.00  0.00           C  
HETATM    8  C   UNL     1       0.665   1.194  -0.826  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.245   0.041  -0.697  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.567   0.267  -0.618  1.00  0.00           O  
HETATM   11  C   UNL     1       0.287  -1.213  -0.655  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.576  -2.332  -0.530  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.021  -2.068  -0.451  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.464  -0.735  -0.503  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.136  -3.470  -0.490  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.946  -3.114  -0.326  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.295  -2.825  -0.255  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.731  -1.505  -0.307  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.823  -0.465  -0.430  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.519  -4.401  -0.275  1.00  0.00           O  
HETATM   21  O   UNL     1      -6.059  -1.232  -0.236  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.311   0.959  -0.484  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.382   1.529   0.934  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.878   2.975   0.879  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.317   3.001   0.361  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.830   3.584   2.282  1.00  0.00           C  
HETATM   27  O   UNL     1       1.634  -1.390  -0.733  1.00  0.00           O  
HETATM   28  C   UNL     1       2.044  -1.985   0.500  1.00  0.00           C  
HETATM   29  O   UNL     1       2.073  -0.990   1.521  1.00  0.00           O  
HETATM   30  C   UNL     1       3.437  -2.595   0.332  1.00  0.00           C  
HETATM   31  O   UNL     1       3.864  -3.166   1.571  1.00  0.00           O  
HETATM   32  C   UNL     1       4.417  -1.496  -0.090  1.00  0.00           C  
HETATM   33  O   UNL     1       5.748  -2.016  -0.107  1.00  0.00           O  
HETATM   34  C   UNL     1       4.327  -0.346   0.919  1.00  0.00           C  
HETATM   35  O   UNL     1       5.121   0.752   0.466  1.00  0.00           O  
HETATM   36  C   UNL     1       2.867   0.095   1.043  1.00  0.00           C  
HETATM   37  C   UNL     1       2.772   1.266   2.024  1.00  0.00           C  
HETATM   38  H   UNL     1       3.469   6.247  -0.254  1.00  0.00           H  
HETATM   39  H   UNL     1       1.788   5.673  -0.368  1.00  0.00           H  
HETATM   40  H   UNL     1       2.908   4.921   0.792  1.00  0.00           H  
HETATM   41  H   UNL     1       3.292   2.266  -2.668  1.00  0.00           H  
HETATM   42  H   UNL     1       1.779   0.340  -2.458  1.00  0.00           H  
HETATM   43  H   UNL     1       1.276   4.220   0.558  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.247   2.304   0.776  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.014  -3.625  -0.158  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.370  -4.610   0.657  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.272  -1.119   0.700  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.623   1.557  -1.082  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.303   0.986  -0.936  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.070   0.931   1.532  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.390   1.502   1.386  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.240   3.553   0.210  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.955   2.423   1.030  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.670   4.031   0.321  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.351   2.567  -0.639  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.805   3.566   2.651  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.183   4.615   2.243  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.468   3.007   2.951  1.00  0.00           H  
HETATM   59  H   UNL     1       1.337  -2.767   0.777  1.00  0.00           H  
HETATM   60  H   UNL     1       3.405  -3.369  -0.435  1.00  0.00           H  
HETATM   61  H   UNL     1       3.226  -3.858   1.794  1.00  0.00           H  
HETATM   62  H   UNL     1       4.154  -1.133  -1.084  1.00  0.00           H  
HETATM   63  H   UNL     1       5.759  -2.736  -0.753  1.00  0.00           H  
HETATM   64  H   UNL     1       4.690  -0.683   1.890  1.00  0.00           H  
HETATM   65  H   UNL     1       5.030   1.454   1.126  1.00  0.00           H  
HETATM   66  H   UNL     1       2.499   0.410   0.066  1.00  0.00           H  
HETATM   67  H   UNL     1       3.137   0.951   3.001  1.00  0.00           H  
HETATM   68  H   UNL     1       3.378   2.095   1.659  1.00  0.00           H  
HETATM   69  H   UNL     1       1.733   1.585   2.109  1.00  0.00           H  
CONECT    1    2   38   39   40                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   41                                       
CONECT    5    4    8    8   42                                       
CONECT    6    3    7    7   43                                       
CONECT    7    6    6    8   44                                       
CONECT    8    5    5    7    9                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   14                                                 
CONECT   11    9    9   12   27                                       
CONECT   12   11   13   15   15                                       
CONECT   13   12   14   16   16                                       
CONECT   14   10   13   19   19                                       
CONECT   15   12   12                                                 
CONECT   16   13   13   17   20                                       
CONECT   17   16   18   18   45                                       
CONECT   18   17   17   19   21                                       
CONECT   19   14   14   18   22                                       
CONECT   20   16   46                                                 
CONECT   21   18   47                                                 
CONECT   22   19   23   48   49                                       
CONECT   23   22   24   50   51                                       
CONECT   24   23   25   26   52                                       
CONECT   25   24   53   54   55                                       
CONECT   26   24   56   57   58                                       
CONECT   27   11   28                                                 
CONECT   28   27   29   30   59                                       
CONECT   29   28   36                                                 
CONECT   30   28   31   32   60                                       
CONECT   31   30   61                                                 
CONECT   32   30   33   34   62                                       
CONECT   33   32   63                                                 
CONECT   34   32   35   36   64                                       
CONECT   35   34   65                                                 
CONECT   36   29   34   37   66                                       
CONECT   37   36   67   68   69                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
