COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.971   2.524  -0.839  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.639   1.879  -0.445  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.859   0.384  -0.196  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.931   0.210   0.885  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.213   0.920   0.440  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.269   0.802   1.540  1.00  0.00           C  
HETATM    7  C   UNL     1       0.073   3.180  -1.592  1.00  0.00           C  
HETATM    8  C   UNL     1       0.982   3.417  -2.770  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.670   2.057  -1.529  1.00  0.00           N  
HETATM   10  O   UNL     1      -2.784   3.930  -1.019  1.00  0.00           O  
HETATM   11  O   UNL     1      -0.637  -0.213   0.243  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.197  -1.181   1.075  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.931   2.299   0.195  1.00  0.00           O  
HETATM   14  O   UNL     1      -6.501   1.362   1.080  1.00  0.00           O  
HETATM   15  O   UNL     1       0.009   3.999  -0.700  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.267  -1.384  -0.486  1.00  0.00           C  
HETATM   17  C   UNL     1       1.127  -1.840  -0.047  1.00  0.00           C  
HETATM   18  C   UNL     1       1.491  -3.130  -0.790  1.00  0.00           C  
HETATM   19  C   UNL     1       0.419  -4.187  -0.510  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.948  -3.640  -0.931  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.033  -4.667  -0.599  1.00  0.00           C  
HETATM   22  O   UNL     1       2.082  -0.824  -0.359  1.00  0.00           O  
HETATM   23  O   UNL     1       2.760  -3.602  -0.332  1.00  0.00           O  
HETATM   24  O   UNL     1       0.401  -4.492   0.886  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.211  -2.425  -0.227  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.291  -4.208  -1.097  1.00  0.00           O  
HETATM   27  C   UNL     1       3.194  -0.778   0.536  1.00  0.00           C  
HETATM   28  C   UNL     1       4.298   0.096  -0.066  1.00  0.00           C  
HETATM   29  C   UNL     1       3.775   1.526  -0.230  1.00  0.00           C  
HETATM   30  C   UNL     1       3.301   2.044   1.131  1.00  0.00           C  
HETATM   31  C   UNL     1       2.235   1.095   1.687  1.00  0.00           C  
HETATM   32  C   UNL     1       1.800   1.574   3.073  1.00  0.00           C  
HETATM   33  O   UNL     1       4.676  -0.424  -1.342  1.00  0.00           O  
HETATM   34  O   UNL     1       4.821   2.365  -0.723  1.00  0.00           O  
HETATM   35  O   UNL     1       4.408   2.100   2.033  1.00  0.00           O  
HETATM   36  O   UNL     1       2.778  -0.223   1.786  1.00  0.00           O  
HETATM   37  H   UNL     1      -3.328   2.082  -1.769  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.261   2.348   0.463  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.189  -0.096  -1.117  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.579   0.645   1.820  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.586   0.457  -0.474  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.418  -0.248   1.790  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.933   1.342   2.426  1.00  0.00           H  
HETATM   44  H   UNL     1       0.845   2.621  -3.501  1.00  0.00           H  
HETATM   45  H   UNL     1       0.741   4.376  -3.228  1.00  0.00           H  
HETATM   46  H   UNL     1       2.019   3.426  -2.433  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.562   1.366  -2.202  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.589   4.404  -1.269  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.867  -1.365   1.747  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.218   1.322   1.728  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.257  -1.160  -1.553  1.00  0.00           H  
HETATM   52  H   UNL     1       1.129  -2.025   1.027  1.00  0.00           H  
HETATM   53  H   UNL     1       1.540  -2.932  -1.861  1.00  0.00           H  
HETATM   54  H   UNL     1       0.641  -5.090  -1.078  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.947  -3.446  -2.004  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.784  -5.621  -1.064  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.094  -4.795   0.481  1.00  0.00           H  
HETATM   58  H   UNL     1       3.053  -4.418  -0.761  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.256  -5.156   1.135  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.027  -4.811  -0.922  1.00  0.00           H  
HETATM   61  H   UNL     1       3.575  -1.786   0.696  1.00  0.00           H  
HETATM   62  H   UNL     1       5.164   0.099   0.597  1.00  0.00           H  
HETATM   63  H   UNL     1       2.942   1.530  -0.934  1.00  0.00           H  
HETATM   64  H   UNL     1       2.876   3.041   1.013  1.00  0.00           H  
HETATM   65  H   UNL     1       1.374   1.085   1.019  1.00  0.00           H  
HETATM   66  H   UNL     1       2.672   1.646   3.723  1.00  0.00           H  
HETATM   67  H   UNL     1       1.327   2.552   2.989  1.00  0.00           H  
HETATM   68  H   UNL     1       1.090   0.863   3.496  1.00  0.00           H  
HETATM   69  H   UNL     1       5.018  -1.329  -1.313  1.00  0.00           H  
HETATM   70  H   UNL     1       5.174   2.090  -1.581  1.00  0.00           H  
HETATM   71  H   UNL     1       4.202   2.510   2.884  1.00  0.00           H  
CONECT    1   13    2   10   37                                       
CONECT    2    3    1    9   38                                       
CONECT    3   11    4    2   39                                       
CONECT    4    3   12    5   40                                       
CONECT    5    4   13    6   41                                       
CONECT    6    5   14   42   43                                       
CONECT    7    9    8   15   15                                       
CONECT    8    7   44   45   46                                       
CONECT    9    2    7   47                                            
CONECT   10    1   48                                                 
CONECT   11   16    3                                                 
CONECT   12    4   49                                                 
CONECT   13    5    1                                                 
CONECT   14    6   50                                                 
CONECT   15    7    7                                                 
CONECT   16   17   25   11   51                                       
CONECT   17   22   18   16   52                                       
CONECT   18   17   23   19   53                                       
CONECT   19   18   24   20   54                                       
CONECT   20   19   21   25   55                                       
CONECT   21   20   26   56   57                                       
CONECT   22   27   17                                                 
CONECT   23   18   58                                                 
CONECT   24   19   59                                                 
CONECT   25   20   16                                                 
CONECT   26   21   60                                                 
CONECT   27   28   36   22   61                                       
CONECT   28   33   29   27   62                                       
CONECT   29   28   34   30   63                                       
CONECT   30   29   35   31   64                                       
CONECT   31   30   32   36   65                                       
CONECT   32   31   67   68   66                                       
CONECT   33   28   69                                                 
CONECT   34   29   70                                                 
CONECT   35   30   71                                                 
CONECT   36   31   27                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
