COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.954   0.464  -0.399  1.00  0.00           C  
HETATM    2  C   UNL     1       2.446  -0.368   0.549  1.00  0.00           C  
HETATM    3  C   UNL     1       2.684  -1.751   0.460  1.00  0.00           C  
HETATM    4  C   UNL     1       3.461  -2.254  -0.612  1.00  0.00           C  
HETATM    5  C   UNL     1       3.973  -1.362  -1.570  1.00  0.00           C  
HETATM    6  C   UNL     1       3.717  -0.030  -1.454  1.00  0.00           C  
HETATM    7  C   UNL     1       2.173  -2.642   1.418  1.00  0.00           C  
HETATM    8  C   UNL     1       3.704  -3.635  -0.698  1.00  0.00           C  
HETATM    9  C   UNL     1       3.192  -4.469   0.248  1.00  0.00           C  
HETATM   10  C   UNL     1       2.429  -3.974   1.303  1.00  0.00           C  
HETATM   11  S   UNL     1       2.647   2.195  -0.287  1.00  0.00           S  
HETATM   12  O   UNL     1       3.612   2.813  -1.127  1.00  0.00           O  
HETATM   13  N   UNL     1       1.180   2.485  -0.999  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.553   1.836   1.361  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.403   2.365   0.811  1.00  0.00           C  
HETATM   16  C   UNL     1       0.021   1.953  -0.445  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.729   1.006  -1.158  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.892   0.477  -0.591  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.298   0.894   0.662  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.290   0.566  -2.495  1.00  0.00           C  
HETATM   21  S   UNL     1      -3.021  -0.884   1.956  1.00  0.00           S  
HETATM   22  C   UNL     1       1.215   1.028   6.794  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.123   0.791   6.864  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.820   0.394   5.710  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.115   0.247   4.489  1.00  0.00           C  
HETATM   26  C   UNL     1       1.265   0.501   4.456  1.00  0.00           C  
HETATM   27  C   UNL     1       1.907   0.884   5.593  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.202   0.140   5.743  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.811  -0.154   3.336  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.151  -0.387   3.405  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.843  -0.242   4.606  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.130   0.659  -3.545  1.00  0.00           N  
HETATM   33  O   UNL     1       0.829   0.119  -2.651  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.429   0.379   1.214  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.231  -1.471   2.415  1.00  0.00           O  
HETATM   36  O   UNL     1      -2.059  -1.524   1.129  1.00  0.00           O  
HETATM   37  O   UNL     1       2.465   2.467   1.095  1.00  0.00           O  
HETATM   38  C   UNL     1      -2.427   1.322  -3.388  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.746   0.099  -4.842  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.723   1.195  -5.876  1.00  0.00           C  
HETATM   41  O   UNL     1      -1.546   2.248  -5.756  1.00  0.00           O  
HETATM   42  O   UNL     1       0.036   1.125  -6.813  1.00  0.00           O  
HETATM   43  C   UNL     1      -1.783  -2.066  -4.222  1.00  0.00           C  
HETATM   44  O   UNL     1      -2.604  -3.117  -4.377  1.00  0.00           O  
HETATM   45  O   UNL     1      -1.063  -1.999  -3.254  1.00  0.00           O  
HETATM   46  C   UNL     1      -1.759  -0.970  -5.256  1.00  0.00           C  
HETATM   47  H   UNL     1       1.860   0.029   1.364  1.00  0.00           H  
HETATM   48  H   UNL     1       4.566  -1.732  -2.394  1.00  0.00           H  
HETATM   49  H   UNL     1       4.112   0.652  -2.192  1.00  0.00           H  
HETATM   50  H   UNL     1       1.579  -2.273   2.241  1.00  0.00           H  
HETATM   51  H   UNL     1       4.294  -4.033  -1.510  1.00  0.00           H  
HETATM   52  H   UNL     1       3.381  -5.531   0.180  1.00  0.00           H  
HETATM   53  H   UNL     1       2.034  -4.657   2.040  1.00  0.00           H  
HETATM   54  H   UNL     1       1.129   3.026  -1.803  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.876   2.158   2.340  1.00  0.00           H  
HETATM   56  H   UNL     1       0.169   3.097   1.360  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.473  -0.255  -1.132  1.00  0.00           H  
HETATM   58  H   UNL     1       1.748   1.333   7.682  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.646   0.907   7.801  1.00  0.00           H  
HETATM   60  H   UNL     1       1.815   0.393   3.532  1.00  0.00           H  
HETATM   61  H   UNL     1       2.969   1.078   5.565  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.752   0.249   6.667  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.287  -0.275   2.400  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.905  -0.436   4.634  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.581   1.577  -2.339  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.447   2.230  -3.990  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.220   0.650  -3.717  1.00  0.00           H  
HETATM   68  H   UNL     1       0.243  -0.349  -4.766  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.530   2.952  -6.419  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.619  -3.820  -3.714  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.750  -0.521  -5.333  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.474  -1.387  -6.221  1.00  0.00           H  
CONECT    1    2    2    6   11                                       
CONECT    2    1    1    3   47                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6    6   48                                       
CONECT    6    1    5    5   49                                       
CONECT    7    3   10   10   50                                       
CONECT    8    4    9    9   51                                       
CONECT    9    8    8   10   52                                       
CONECT   10    7    7    9   53                                       
CONECT   11    1   12   12   13                                       
CONECT   11   37   37                                                 
CONECT   12   11   11                                                 
CONECT   13   11   16   54                                            
CONECT   14   15   15   19   55                                       
CONECT   15   14   14   16   56                                       
CONECT   16   13   15   17   17                                       
CONECT   17   16   16   18   20                                       
CONECT   18   17   19   19   57                                       
CONECT   19   14   18   18   34                                       
CONECT   20   17   32   33   33                                       
CONECT   21   30   34   35   35                                       
CONECT   21   36   36                                                 
CONECT   22   23   23   27   58                                       
CONECT   23   22   22   24   59                                       
CONECT   24   23   25   25   28                                       
CONECT   25   24   24   26   29                                       
CONECT   26   25   27   27   60                                       
CONECT   27   22   26   26   61                                       
CONECT   28   24   31   31   62                                       
CONECT   29   25   30   30   63                                       
CONECT   30   21   29   29   31                                       
CONECT   31   28   28   30   64                                       
CONECT   32   20   38   39                                            
CONECT   33   20   20                                                 
CONECT   34   19   21                                                 
CONECT   35   21   21                                                 
CONECT   36   21   21                                                 
CONECT   37   11   11                                                 
CONECT   38   32   65   66   67                                       
CONECT   39   32   40   46   68                                       
CONECT   40   39   41   42   42                                       
CONECT   41   40   69                                                 
CONECT   42   40   40                                                 
CONECT   43   44   45   45   46                                       
CONECT   44   43   70                                                 
CONECT   45   43   43                                                 
CONECT   46   39   43   71   72                                       
CONECT   47    2                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   18                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   31                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   41                                                      
CONECT   70   44                                                      
CONECT   71   46                                                      
CONECT   72   46                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
