COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.431  -5.644  -0.530  1.00  0.00           C  
HETATM    2  C   UNL     1       2.045  -4.847  -1.592  1.00  0.00           C  
HETATM    3  C   UNL     1       2.252  -5.201   0.767  1.00  0.00           C  
HETATM    4  C   UNL     1       1.482  -3.607  -1.356  1.00  0.00           C  
HETATM    5  C   UNL     1       1.688  -3.961   1.003  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.782  -0.454  -0.372  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.258   1.769  -1.089  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.755  -0.399   0.551  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.231   1.825  -0.165  1.00  0.00           C  
HETATM   10  C   UNL     1       3.319   4.446  -0.270  1.00  0.00           C  
HETATM   11  C   UNL     1       2.582   3.592  -1.066  1.00  0.00           C  
HETATM   12  C   UNL     1       4.602   2.592   0.540  1.00  0.00           C  
HETATM   13  C   UNL     1       1.303  -3.164  -0.059  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.035   0.630  -1.191  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.979   0.741   0.655  1.00  0.00           C  
HETATM   16  C   UNL     1       4.328   3.947   0.533  1.00  0.00           C  
HETATM   17  C   UNL     1       2.855   2.232  -1.061  1.00  0.00           C  
HETATM   18  C   UNL     1       3.868   1.733  -0.255  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.483   0.275   1.765  1.00  0.00           C  
HETATM   20  C   UNL     1       0.496  -1.617   1.703  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.667  -1.725  -0.507  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.095  -0.228   1.963  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.272  -0.338  -0.273  1.00  0.00           C  
HETATM   24  C   UNL     1       0.689  -1.812   0.198  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.154   0.569  -2.198  1.00  0.00           C  
HETATM   26  C   UNL     1       5.131   4.882   1.400  1.00  0.00           C  
HETATM   27  C   UNL     1       1.102   1.972  -2.646  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.860   0.802   1.661  1.00  0.00           C  
HETATM   29  C   UNL     1       1.615  -0.721  -0.343  1.00  0.00           C  
HETATM   30  N   UNL     1      -1.326  -0.083   1.173  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.623   0.312   1.047  1.00  0.00           N  
HETATM   32  N   UNL     1       2.889  -0.760   0.379  1.00  0.00           N  
HETATM   33  O   UNL     1      -2.498   0.565   2.945  1.00  0.00           O  
HETATM   34  O   UNL     1       4.309  -0.392  -1.606  1.00  0.00           O  
HETATM   35  O   UNL     1       5.269  -0.185   0.693  1.00  0.00           O  
HETATM   36  O   UNL     1       2.130   1.389  -1.843  1.00  0.00           O  
HETATM   37  S   UNL     1       4.218   0.006  -0.245  1.00  0.00           S  
HETATM   38  H   UNL     1       2.867  -6.615  -0.714  1.00  0.00           H  
HETATM   39  H   UNL     1       2.185  -5.193  -2.605  1.00  0.00           H  
HETATM   40  H   UNL     1       2.553  -5.824   1.597  1.00  0.00           H  
HETATM   41  H   UNL     1       1.181  -2.984  -2.186  1.00  0.00           H  
HETATM   42  H   UNL     1       1.548  -3.615   2.016  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.385  -1.347  -0.456  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.558  -1.246   1.192  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.455   2.616  -1.729  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.625   2.715  -0.084  1.00  0.00           H  
HETATM   47  H   UNL     1       3.110   5.506  -0.277  1.00  0.00           H  
HETATM   48  H   UNL     1       1.793   3.982  -1.693  1.00  0.00           H  
HETATM   49  H   UNL     1       5.391   2.204   1.168  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.074   0.933  -1.740  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.905   1.192  -3.057  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.294  -0.461  -2.525  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.720   1.832   1.988  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.109   0.179   2.521  1.00  0.00           H  
HETATM   55  H   UNL     1       4.652   4.976   2.374  1.00  0.00           H  
HETATM   56  H   UNL     1       6.138   4.484   1.527  1.00  0.00           H  
HETATM   57  H   UNL     1       5.185   5.862   0.926  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.625   0.015   0.124  1.00  0.00           H  
HETATM   59  H   UNL     1       1.459  -1.702   2.207  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.183  -2.379   2.085  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.326  -0.122   3.023  1.00  0.00           H  
HETATM   62  H   UNL     1       0.622   0.536   1.665  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.335  -2.486  -0.105  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.532  -1.887  -1.577  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.650   0.418  -0.753  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.279  -0.303  -0.688  1.00  0.00           H  
HETATM   67  H   UNL     1       1.794  -0.890  -1.405  1.00  0.00           H  
HETATM   68  H   UNL     1       1.148   0.254  -0.204  1.00  0.00           H  
HETATM   69  H   UNL     1       0.377   2.470  -2.003  1.00  0.00           H  
HETATM   70  H   UNL     1       1.543   2.699  -3.329  1.00  0.00           H  
HETATM   71  H   UNL     1       0.603   1.191  -3.220  1.00  0.00           H  
HETATM   72  H   UNL     1       2.954  -1.235   1.222  1.00  0.00           H  
CONECT    1    2    3    3   38                                       
CONECT    2    1    4    4   39                                       
CONECT    3    1    1    5   40                                       
CONECT    4    2    2   13   41                                       
CONECT    5    3   13   13   42                                       
CONECT    6    8   14   14   43                                       
CONECT    7    9    9   14   45                                       
CONECT    8    6   15   15   44                                       
CONECT    9    7    7   15   46                                       
CONECT   10   11   16   16   47                                       
CONECT   11   10   17   17   48                                       
CONECT   12   16   18   18   49                                       
CONECT   13    4    5    5   24                                       
CONECT   14    6    6    7   25                                       
CONECT   15    8    8    9   28                                       
CONECT   16   10   10   12   26                                       
CONECT   17   11   11   18   36                                       
CONECT   18   12   12   17   37                                       
CONECT   19   30   31   33   33                                       
CONECT   20   22   24   59   60                                       
CONECT   21   23   24   63   64                                       
CONECT   22   20   30   61   62                                       
CONECT   23   21   30   65   66                                       
CONECT   24   13   20   21   29                                       
CONECT   25   14   50   51   52                                       
CONECT   26   16   55   56   57                                       
CONECT   27   36   69   70   71                                       
CONECT   28   15   31   53   54                                       
CONECT   29   24   32   67   68                                       
CONECT   30   19   22   23                                            
CONECT   31   19   28   58                                            
CONECT   32   29   37   72                                            
CONECT   33   19   19                                                 
CONECT   34   37   37                                                 
CONECT   35   37   37                                                 
CONECT   36   17   27                                                 
CONECT   37   18   32   34   34                                       
CONECT   37   35   35                                                 
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   31                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   32                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
