COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.372   2.707   0.214  1.00  0.00           C  
HETATM    2  C   UNL     1       4.525   3.457  -0.820  1.00  0.00           C  
HETATM    3  C   UNL     1       0.483   2.831  -0.234  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.641   0.614  -0.126  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.512  -0.575  -0.025  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.158  -2.806   0.154  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.681  -1.549   0.389  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.868  -0.429   0.296  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.587   1.184  -0.019  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.097   2.558   0.130  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.366   4.340  -0.010  1.00  0.00           C  
HETATM   12  C   UNL     1       6.501  -0.293   1.833  1.00  0.00           C  
HETATM   13  S   UNL     1       6.025   0.065   0.119  1.00  0.00           S  
HETATM   14  O   UNL     1       7.116   0.631  -0.594  1.00  0.00           O  
HETATM   15  O   UNL     1       5.274  -1.012  -0.425  1.00  0.00           O  
HETATM   16  N   UNL     1       4.932   1.303   0.243  1.00  0.00           N  
HETATM   17  O   UNL     1       3.140   3.231  -0.548  1.00  0.00           O  
HETATM   18  C   UNL     1       2.738   1.864  -0.656  1.00  0.00           C  
HETATM   19  C   UNL     1       3.493   1.032   0.387  1.00  0.00           C  
HETATM   20  C   UNL     1       1.255   1.754  -0.410  1.00  0.00           C  
HETATM   21  S   UNL     1      -1.172   2.286   0.031  1.00  0.00           S  
HETATM   22  N   UNL     1       0.642   0.594  -0.354  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.990  -1.848  -0.256  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.814  -2.958  -0.165  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.401   0.843   0.524  1.00  0.00           N  
HETATM   26  O   UNL     1      -5.236   0.357  -0.631  1.00  0.00           O  
HETATM   27  N   UNL     1      -6.279   3.031  -0.369  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.248   4.634   0.698  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.497   3.538   0.770  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.293  -4.235  -0.401  1.00  0.00           N  
HETATM   31  C   UNL     1      -0.159  -4.515   0.492  1.00  0.00           C  
HETATM   32  C   UNL     1       0.417  -5.894   0.160  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.616  -6.876   0.273  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.736  -6.635  -0.584  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.334  -5.264  -0.259  1.00  0.00           C  
HETATM   36  H   UNL     1       6.424   2.757  -0.067  1.00  0.00           H  
HETATM   37  H   UNL     1       5.233   3.156   1.198  1.00  0.00           H  
HETATM   38  H   UNL     1       4.739   4.525  -0.760  1.00  0.00           H  
HETATM   39  H   UNL     1       4.765   3.094  -1.819  1.00  0.00           H  
HETATM   40  H   UNL     1       0.817   3.858  -0.248  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.795  -3.675   0.228  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.724  -1.439   0.646  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.175   5.017  -0.244  1.00  0.00           H  
HETATM   44  H   UNL     1       6.944   0.597   2.280  1.00  0.00           H  
HETATM   45  H   UNL     1       5.618  -0.585   2.401  1.00  0.00           H  
HETATM   46  H   UNL     1       7.227  -1.105   1.846  1.00  0.00           H  
HETATM   47  H   UNL     1       2.970   1.494  -1.655  1.00  0.00           H  
HETATM   48  H   UNL     1       3.301  -0.028   0.220  1.00  0.00           H  
HETATM   49  H   UNL     1       3.165   1.312   1.388  1.00  0.00           H  
HETATM   50  H   UNL     1       0.054  -1.967  -0.504  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.917   1.480   1.072  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.931   2.529  -0.882  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.008   5.595   1.129  1.00  0.00           H  
HETATM   54  H   UNL     1       0.610  -3.756   0.352  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.499  -4.501   1.527  1.00  0.00           H  
HETATM   56  H   UNL     1       0.806  -5.891  -0.858  1.00  0.00           H  
HETATM   57  H   UNL     1       1.221  -6.130   0.857  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.409  -6.653  -1.623  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.489  -7.407  -0.424  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.709  -5.263   0.764  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.152  -5.051  -0.948  1.00  0.00           H  
CONECT    1    2   16   36   37                                       
CONECT    2   17    1   38   39                                       
CONECT    3   21   20   20   40                                       
CONECT    4    5   21   22   22                                       
CONECT    5   23   23    8    4                                       
CONECT    6   24   24    7   41                                       
CONECT    7    6    8    8   42                                       
CONECT    8    7    7    5   25                                       
CONECT    9   25   26   26   10                                       
CONECT   10    9   27   29   29                                       
CONECT   11   27   28   28   43                                       
CONECT   12   13   44   45   46                                       
CONECT   13   16   15   15   14                                       
CONECT   13   14   12                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   19    1   13                                            
CONECT   17   18    2                                                 
CONECT   18   20   17   19   47                                       
CONECT   19   18   16   48   49                                       
CONECT   20   22    3    3   18                                       
CONECT   21    4    3                                                 
CONECT   22    4    4   20                                            
CONECT   23   24    5    5   50                                       
CONECT   24   30    6    6   23                                       
CONECT   25    8    9   51                                            
CONECT   26    9    9                                                 
CONECT   27   10   11   52                                            
CONECT   28   29   11   11   53                                       
CONECT   29   10   10   28                                            
CONECT   30   31   35   24                                            
CONECT   31   32   30   54   55                                       
CONECT   32   33   31   56   57                                       
CONECT   33   32   34                                                 
CONECT   34   33   35   58   59                                       
CONECT   35   34   30   60   61                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   34                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
