COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.645   2.381   3.053  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.986   3.596   3.064  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.629   3.648   2.804  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.947   1.218   2.782  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.591   1.271   2.522  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.931   2.486   2.534  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.830   0.004   2.228  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.848  -0.264   0.722  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.223  -0.527   0.289  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.043   0.498  -0.014  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.306   0.256  -0.411  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.132   1.409  -0.721  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.592   1.056  -0.414  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.274   0.310  -1.589  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.430  -0.189   0.538  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.879  -1.183  -0.354  1.00  0.00           O  
HETATM   17  C   UNL     1      -7.344  -0.934  -1.686  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.274  -0.539  -2.553  1.00  0.00           O  
HETATM   19  C   UNL     1      -6.509   0.775  -3.093  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.033   1.026  -2.927  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.867   1.816  -2.157  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.641   1.642   0.072  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.973  -1.479   0.409  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.408  -2.593   1.191  1.00  0.00           O  
HETATM   25  C   UNL     1       0.485  -1.158   0.745  1.00  0.00           C  
HETATM   26  N   UNL     1       1.338  -2.276   0.336  1.00  0.00           N  
HETATM   27  C   UNL     1       1.546  -3.409   1.241  1.00  0.00           C  
HETATM   28  C   UNL     1       2.715  -3.104   2.179  1.00  0.00           C  
HETATM   29  C   UNL     1       2.368  -1.895   3.050  1.00  0.00           C  
HETATM   30  C   UNL     1       2.982  -4.317   3.073  1.00  0.00           C  
HETATM   31  S   UNL     1       2.068  -2.259  -1.151  1.00  0.00           S  
HETATM   32  O   UNL     1       2.335  -3.615  -1.482  1.00  0.00           O  
HETATM   33  O   UNL     1       1.290  -1.397  -1.970  1.00  0.00           O  
HETATM   34  C   UNL     1       3.635  -1.477  -0.954  1.00  0.00           C  
HETATM   35  C   UNL     1       4.753  -2.234  -0.642  1.00  0.00           C  
HETATM   36  C   UNL     1       5.979  -1.638  -0.486  1.00  0.00           C  
HETATM   37  C   UNL     1       6.120  -0.243  -0.640  1.00  0.00           C  
HETATM   38  N   UNL     1       7.232   0.511  -0.525  1.00  0.00           N  
HETATM   39  C   UNL     1       3.749  -0.114  -1.115  1.00  0.00           C  
HETATM   40  C   UNL     1       4.984   0.509  -0.954  1.00  0.00           C  
HETATM   41  S   UNL     1       5.456   2.201  -1.089  1.00  0.00           S  
HETATM   42  C   UNL     1       7.121   1.781  -0.711  1.00  0.00           C  
HETATM   43  N   UNL     1       8.162   2.684  -0.631  1.00  0.00           N  
HETATM   44  C   UNL     1       9.512   2.217  -0.308  1.00  0.00           C  
HETATM   45  C   UNL     1      10.473   3.222   0.331  1.00  0.00           C  
HETATM   46  C   UNL     1      10.672   2.790  -1.124  1.00  0.00           C  
HETATM   47  H   UNL     1      -5.704   2.339   3.260  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.531   4.504   3.275  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.114   4.598   2.812  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.462   0.269   2.774  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.872   2.527   2.330  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.799   0.112   2.565  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.297  -0.830   2.751  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.462   0.608   0.193  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.543  -1.441   0.221  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.832   2.231  -0.072  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.171   1.881   0.001  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.319   0.065  -1.399  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.737   0.031   1.350  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.396  -0.506   0.930  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.883  -1.796  -2.078  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.176   0.878  -4.126  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.601   0.561  -3.733  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.254   2.090  -2.853  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.305   2.796  -2.346  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.792   1.854  -2.334  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.056  -1.724  -0.650  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.361  -2.446   2.145  1.00  0.00           H  
HETATM   69  H   UNL     1       0.789  -0.255   0.216  1.00  0.00           H  
HETATM   70  H   UNL     1       0.583  -1.000   1.819  1.00  0.00           H  
HETATM   71  H   UNL     1       0.643  -3.575   1.828  1.00  0.00           H  
HETATM   72  H   UNL     1       1.771  -4.303   0.659  1.00  0.00           H  
HETATM   73  H   UNL     1       3.606  -2.884   1.590  1.00  0.00           H  
HETATM   74  H   UNL     1       3.143  -1.757   3.804  1.00  0.00           H  
HETATM   75  H   UNL     1       2.305  -1.004   2.426  1.00  0.00           H  
HETATM   76  H   UNL     1       1.410  -2.064   3.541  1.00  0.00           H  
HETATM   77  H   UNL     1       3.229  -5.178   2.452  1.00  0.00           H  
HETATM   78  H   UNL     1       3.815  -4.100   3.741  1.00  0.00           H  
HETATM   79  H   UNL     1       2.091  -4.537   3.661  1.00  0.00           H  
HETATM   80  H   UNL     1       4.659  -3.303  -0.521  1.00  0.00           H  
HETATM   81  H   UNL     1       6.842  -2.240  -0.243  1.00  0.00           H  
HETATM   82  H   UNL     1       2.877   0.475  -1.358  1.00  0.00           H  
HETATM   83  H   UNL     1       8.000   3.627  -0.788  1.00  0.00           H  
HETATM   84  H   UNL     1       9.587   1.177   0.011  1.00  0.00           H  
HETATM   85  H   UNL     1      10.101   4.230   0.511  1.00  0.00           H  
HETATM   86  H   UNL     1      11.180   2.843   1.070  1.00  0.00           H  
HETATM   87  H   UNL     1      11.510   2.128  -1.342  1.00  0.00           H  
HETATM   88  H   UNL     1      10.431   3.515  -1.901  1.00  0.00           H  
CONECT    1    4    4    2   47                                       
CONECT    2    1    3    3   48                                       
CONECT    3    2    2    6   49                                       
CONECT    4    1    1    5   50                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5    3   51                                       
CONECT    7    8    5   52   53                                       
CONECT    8    9   23    7   54                                       
CONECT    9   10    8   55                                            
CONECT   10   22   22   11    9                                       
CONECT   11   12   10                                                 
CONECT   12   21   11   13   56                                       
CONECT   13   12   14   15   57                                       
CONECT   14   20   17   13   58                                       
CONECT   15   13   16   59   60                                       
CONECT   16   17   15                                                 
CONECT   17   18   14   16   61                                       
CONECT   18   19   17                                                 
CONECT   19   20   21   18   62                                       
CONECT   20   19   14   63   64                                       
CONECT   21   19   12   65   66                                       
CONECT   22   10   10                                                 
CONECT   23    8   25   24   67                                       
CONECT   24   23   68                                                 
CONECT   25   26   23   69   70                                       
CONECT   26   27   31   25                                            
CONECT   27   28   26   71   72                                       
CONECT   28   29   30   27   73                                       
CONECT   29   28   74   75   76                                       
CONECT   30   28   77   78   79                                       
CONECT   31   33   33   26   34                                       
CONECT   31   32   32                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   39   31   35   35                                       
CONECT   35   34   34   36   80                                       
CONECT   36   37   37   35   81                                       
CONECT   37   40   38   36   36                                       
CONECT   38   42   42   37                                            
CONECT   39   40   40   34   82                                       
CONECT   40   41   39   39   37                                       
CONECT   41   40   42                                                 
CONECT   42   41   43   38   38                                       
CONECT   43   44   42   83                                            
CONECT   44   45   46   43   84                                       
CONECT   45   46   44   85   86                                       
CONECT   46   45   44   87   88                                       
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   39                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   46                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
