COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.274  -1.658  -2.140  1.00  0.00           O1-
HETATM    2  C   UNL     1       2.401  -0.935  -1.691  1.00  0.00           C  
HETATM    3  O   UNL     1       1.703  -0.280  -2.447  1.00  0.00           O  
HETATM    4  C   UNL     1       2.180  -0.856  -0.204  1.00  0.00           C  
HETATM    5  C   UNL     1       1.865  -2.220   0.488  1.00  0.00           C  
HETATM    6  C   UNL     1       1.004  -1.861   1.722  1.00  0.00           C  
HETATM    7  C   UNL     1       1.160  -0.299   1.796  1.00  0.00           C  
HETATM    8  C   UNL     1       2.691  -0.148   2.049  1.00  0.00           C  
HETATM    9  C   UNL     1       3.360  -0.259   0.648  1.00  0.00           C  
HETATM   10  C   UNL     1       4.620  -1.102   0.641  1.00  0.00           C  
HETATM   11  O   UNL     1       5.654  -0.639   0.223  1.00  0.00           O  
HETATM   12  C   UNL     1       3.604   1.156   0.148  1.00  0.00           C  
HETATM   13  C   UNL     1       4.774   1.910   0.807  1.00  0.00           C  
HETATM   14  C   UNL     1       4.451   3.376   0.394  1.00  0.00           C  
HETATM   15  C   UNL     1       2.900   3.451   0.315  1.00  0.00           C  
HETATM   16  C   UNL     1       2.464   3.896  -1.078  1.00  0.00           C  
HETATM   17  C   UNL     1       2.421   2.038   0.632  1.00  0.00           C  
HETATM   18  C   UNL     1       1.177   1.512  -0.017  1.00  0.00           C  
HETATM   19  C   UNL     1       0.989   0.029   0.280  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.371  -0.422  -0.270  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.357   0.567   0.030  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.667   0.244  -0.442  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.194  -0.842   0.323  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.497  -1.265  -0.085  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.457  -1.695  -1.553  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.483  -0.106   0.080  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.561   0.262   1.459  1.00  0.00           O  
HETATM   28  C   UNL     1      -6.565  -0.442   2.193  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.996   1.091  -0.742  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.871   2.201  -0.535  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.580   1.464  -0.290  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.087   2.533  -1.100  1.00  0.00           O  
HETATM   33  C   UNL     1       1.138  -3.180  -0.453  1.00  0.00           C  
HETATM   34  C   UNL     1       1.681  -4.596  -0.255  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.360  -3.160  -0.143  1.00  0.00           C  
HETATM   36  H   UNL     1       2.781  -2.713   0.830  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.027  -2.162   1.603  1.00  0.00           H  
HETATM   38  H   UNL     1       1.429  -2.316   2.622  1.00  0.00           H  
HETATM   39  H   UNL     1       0.502   0.215   2.488  1.00  0.00           H  
HETATM   40  H   UNL     1       2.940   0.768   2.558  1.00  0.00           H  
HETATM   41  H   UNL     1       3.031  -0.992   2.672  1.00  0.00           H  
HETATM   42  H   UNL     1       4.593  -2.117   1.011  1.00  0.00           H  
HETATM   43  H   UNL     1       3.720   1.193  -0.946  1.00  0.00           H  
HETATM   44  H   UNL     1       4.751   1.795   1.886  1.00  0.00           H  
HETATM   45  H   UNL     1       5.724   1.593   0.385  1.00  0.00           H  
HETATM   46  H   UNL     1       4.820   4.068   1.149  1.00  0.00           H  
HETATM   47  H   UNL     1       4.887   3.599  -0.577  1.00  0.00           H  
HETATM   48  H   UNL     1       2.524   4.146   1.069  1.00  0.00           H  
HETATM   49  H   UNL     1       2.847   3.195  -1.820  1.00  0.00           H  
HETATM   50  H   UNL     1       1.376   3.920  -1.128  1.00  0.00           H  
HETATM   51  H   UNL     1       2.859   4.892  -1.282  1.00  0.00           H  
HETATM   52  H   UNL     1       2.305   1.984   1.717  1.00  0.00           H  
HETATM   53  H   UNL     1       0.309   2.058   0.363  1.00  0.00           H  
HETATM   54  H   UNL     1       1.222   1.639  -1.099  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.301  -0.549  -1.351  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.654  -1.368   0.190  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.615  -0.043  -1.492  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.816  -2.105   0.531  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.754  -2.520  -1.671  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.451  -2.018  -1.864  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.138  -0.855  -2.170  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.468  -0.413  -0.271  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.560  -0.106   3.230  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.543  -0.244   1.752  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.360  -1.512   2.156  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.985   0.827  -1.799  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.621   2.996  -1.027  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.601   1.776   0.754  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.191   2.817  -0.873  1.00  0.00           H  
HETATM   70  H   UNL     1       1.300  -2.869  -1.485  1.00  0.00           H  
HETATM   71  H   UNL     1       1.213  -5.268  -0.975  1.00  0.00           H  
HETATM   72  H   UNL     1       2.760  -4.596  -0.407  1.00  0.00           H  
HETATM   73  H   UNL     1       1.456  -4.934   0.757  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.830  -2.330  -0.672  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.811  -4.098  -0.466  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.508  -3.036   0.930  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    9   19                                       
CONECT    5    4    6   33   36                                       
CONECT    6    5    7   37   38                                       
CONECT    7    6    8   19   39                                       
CONECT    8    7    9   40   41                                       
CONECT    9    4    8   10   12                                       
CONECT   10    9   11   11   42                                       
CONECT   11   10   10                                                 
CONECT   12    9   13   17   43                                       
CONECT   13   12   14   44   45                                       
CONECT   14   13   15   46   47                                       
CONECT   15   14   16   17   48                                       
CONECT   16   15   49   50   51                                       
CONECT   17   12   15   18   52                                       
CONECT   18   17   19   53   54                                       
CONECT   19    4    7   18   20                                       
CONECT   20   19   21   55   56                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   31   57                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   26   58                                       
CONECT   25   24   59   60   61                                       
CONECT   26   24   27   29   62                                       
CONECT   27   26   28                                                 
CONECT   28   27   63   64   65                                       
CONECT   29   26   30   31   66                                       
CONECT   30   29   67                                                 
CONECT   31   22   29   32   68                                       
CONECT   32   31   69                                                 
CONECT   33    5   34   35   70                                       
CONECT   34   33   71   72   73                                       
CONECT   35   33   74   75   76                                       
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
