COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.650  -0.473  -5.626  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.651   0.005  -6.934  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.302   1.322  -7.190  1.00  0.00           C  
HETATM    4  C   UNL     1       0.042   1.710  -4.850  1.00  0.00           C  
HETATM    5  O   UNL     1       1.713  -1.093   0.349  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.306   0.384  -4.575  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.308  -0.108  -3.185  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.399  -0.710  -9.191  1.00  0.00           C  
HETATM    9  C   UNL     1       0.027   0.229  -0.795  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.214  -1.204   4.855  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.284  -0.568   1.711  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.415  -0.615   2.956  1.00  0.00           C  
HETATM   13  C   UNL     1       1.005  -0.243   2.567  1.00  0.00           C  
HETATM   14  C   UNL     1       1.469  -1.319   1.630  1.00  0.00           C  
HETATM   15  C   UNL     1       0.042   2.168  -6.149  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.999  -0.845  -7.992  1.00  0.00           N  
HETATM   17  N   UNL     1       0.028   0.719  -2.175  1.00  0.00           N  
HETATM   18  O   UNL     1      -0.990  -1.762  -5.371  1.00  0.00           O  
HETATM   19  O   UNL     1       0.513   0.077  -9.327  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.612  -1.261  -2.949  1.00  0.00           O  
HETATM   21  C   UNL     1       1.454   0.136  -0.328  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.382   0.769   1.178  1.00  0.00           O  
HETATM   23  O   UNL     1       1.627  -2.437   2.062  1.00  0.00           O  
HETATM   24  C   UNL     1       1.899  -0.203   3.808  1.00  0.00           C  
HETATM   25  C   UNL     1       3.334   0.129   3.392  1.00  0.00           C  
HETATM   26  C   UNL     1       4.228   0.169   4.633  1.00  0.00           C  
HETATM   27  C   UNL     1       5.662   0.501   4.217  1.00  0.00           C  
HETATM   28  C   UNL     1       6.556   0.542   5.458  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.848   1.116   0.014  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.087   2.220  -0.413  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.917   0.331   3.937  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.819  -0.062   4.849  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.339   0.919   5.867  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.347   0.221   6.781  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.876   1.218   7.814  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.512  -0.310   5.944  1.00  0.00           C  
HETATM   37  C   UNL     1       2.382   0.238  -1.540  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.686  -1.068   2.061  1.00  0.00           C  
HETATM   39  H   UNL     1      -0.300   1.690  -8.205  1.00  0.00           H  
HETATM   40  H   UNL     1       0.311   2.375  -4.043  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.730  -1.303 -10.031  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.401  -0.772  -0.789  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.853  -1.222   0.952  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.430  -1.620   3.376  1.00  0.00           H  
HETATM   45  H   UNL     1       1.017   0.723   2.064  1.00  0.00           H  
HETATM   46  H   UNL     1       0.312   3.193  -6.357  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.672  -1.531  -7.861  1.00  0.00           H  
HETATM   48  H   UNL     1       0.270   1.639  -2.363  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.174  -2.280  -5.412  1.00  0.00           H  
HETATM   50  H   UNL     1       1.661   0.965   0.348  1.00  0.00           H  
HETATM   51  H   UNL     1       1.880  -1.174   4.302  1.00  0.00           H  
HETATM   52  H   UNL     1       1.534   0.561   4.494  1.00  0.00           H  
HETATM   53  H   UNL     1       3.353   1.100   2.898  1.00  0.00           H  
HETATM   54  H   UNL     1       3.699  -0.635   2.706  1.00  0.00           H  
HETATM   55  H   UNL     1       4.208  -0.801   5.127  1.00  0.00           H  
HETATM   56  H   UNL     1       3.862   0.933   5.319  1.00  0.00           H  
HETATM   57  H   UNL     1       5.682   1.473   3.723  1.00  0.00           H  
HETATM   58  H   UNL     1       6.028  -0.262   3.531  1.00  0.00           H  
HETATM   59  H   UNL     1       7.578   0.779   5.162  1.00  0.00           H  
HETATM   60  H   UNL     1       6.191   1.306   6.145  1.00  0.00           H  
HETATM   61  H   UNL     1       6.537  -0.428   5.952  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.509   1.298   6.463  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.827   1.749   5.355  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.859  -0.608   7.293  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.594   0.720   8.465  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.046   1.597   8.411  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.364   2.047   7.302  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.000   0.518   5.431  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.136  -1.021   5.208  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.230  -0.808   6.595  1.00  0.00           H  
HETATM   71  H   UNL     1       3.419   0.256  -1.203  1.00  0.00           H  
HETATM   72  H   UNL     1       2.226  -0.621  -2.191  1.00  0.00           H  
HETATM   73  H   UNL     1       2.163   1.154  -2.089  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.316  -1.037   1.172  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.626  -2.092   2.428  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.117  -0.430   2.833  1.00  0.00           H  
CONECT    1    2    2    6   18                                       
CONECT    2    1    1    3   16                                       
CONECT    3    2   15   15   39                                       
CONECT    4    6    6   15   40                                       
CONECT    5   14   21                                                 
CONECT    6    1    4    4    7                                       
CONECT    7    6   17   20   20                                       
CONECT    8   16   19   19   41                                       
CONECT    9   17   21   29   42                                       
CONECT   10   32   32                                                 
CONECT   11   12   22   38   43                                       
CONECT   12   11   13   31   44                                       
CONECT   13   12   14   24   45                                       
CONECT   14    5   13   23   23                                       
CONECT   15    3    3    4   46                                       
CONECT   16    2    8   47                                            
CONECT   17    7    9   48                                            
CONECT   18    1   49                                                 
CONECT   19    8    8                                                 
CONECT   20    7    7                                                 
CONECT   21    5    9   37   50                                       
CONECT   22   11   29                                                 
CONECT   23   14   14                                                 
CONECT   24   13   25   51   52                                       
CONECT   25   24   26   53   54                                       
CONECT   26   25   27   55   56                                       
CONECT   27   26   28   57   58                                       
CONECT   28   27   59   60   61                                       
CONECT   29    9   22   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   12   32                                                 
CONECT   32   10   10   31   33                                       
CONECT   33   32   34   62   63                                       
CONECT   34   33   35   36   64                                       
CONECT   35   34   65   66   67                                       
CONECT   36   34   68   69   70                                       
CONECT   37   21   71   72   73                                       
CONECT   38   11   74   75   76                                       
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   21                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
