COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.138   5.084  -1.193  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.380   5.017  -0.976  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.153   2.665  -1.242  1.00  0.00           C  
HETATM    4  C   UNL     1       1.144   2.749  -0.749  1.00  0.00           C  
HETATM    5  C   UNL     1       1.858   1.579  -0.457  1.00  0.00           C  
HETATM    6  C   UNL     1       1.262   0.332  -0.660  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.034   0.258  -1.151  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.740   1.427  -1.441  1.00  0.00           C  
HETATM    9  C   UNL     1       3.236   1.663   0.064  1.00  0.00           C  
HETATM   10  C   UNL     1       5.288   0.621   0.863  1.00  0.00           C  
HETATM   11  C   UNL     1       6.497  -1.434   0.084  1.00  0.00           C  
HETATM   12  C   UNL     1       5.825  -0.768   1.092  1.00  0.00           C  
HETATM   13  C   UNL     1       5.652  -1.394   2.316  1.00  0.00           C  
HETATM   14  C   UNL     1       6.163  -2.673   2.482  1.00  0.00           C  
HETATM   15  C   UNL     1       6.823  -3.276   1.429  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.642  -3.147  -0.762  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.459  -2.268  -0.023  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.001  -1.017   0.252  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.327  -2.658  -1.201  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.948  -1.374  -0.876  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.671  -1.065  -1.367  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.067  -2.049  -2.047  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.751   1.291   0.740  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.555   1.994   2.088  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.486   0.109   3.297  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.720  -0.671   1.999  1.00  0.00           C  
HETATM   27  N   UNL     1       3.920   0.537   0.345  1.00  0.00           N  
HETATM   28  N   UNL     1       6.970  -2.650   0.278  1.00  0.00           N  
HETATM   29  N   UNL     1      -5.595   1.549   3.025  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.798  -0.161   0.974  1.00  0.00           N  
HETATM   31  O   UNL     1      -0.859   3.791  -1.538  1.00  0.00           O  
HETATM   32  O   UNL     1       1.733   3.956  -0.543  1.00  0.00           O  
HETATM   33  O   UNL     1       3.753   2.749   0.241  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.802  -0.594  -0.157  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.013  -4.281  -1.027  1.00  0.00           O  
HETATM   36  S   UNL     1      -1.051  -3.439  -2.123  1.00  0.00           S  
HETATM   37  H   UNL     1       1.358   5.051  -2.260  1.00  0.00           H  
HETATM   38  H   UNL     1       1.531   6.005  -0.765  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.600   5.043   0.091  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.860   5.861  -1.471  1.00  0.00           H  
HETATM   41  H   UNL     1       1.809  -0.572  -0.436  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.748   1.365  -1.823  1.00  0.00           H  
HETATM   43  H   UNL     1       5.288   1.171   1.804  1.00  0.00           H  
HETATM   44  H   UNL     1       5.919   1.140   0.140  1.00  0.00           H  
HETATM   45  H   UNL     1       6.632  -0.955  -0.874  1.00  0.00           H  
HETATM   46  H   UNL     1       5.131  -0.898   3.122  1.00  0.00           H  
HETATM   47  H   UNL     1       6.046  -3.190   3.423  1.00  0.00           H  
HETATM   48  H   UNL     1       7.224  -4.271   1.550  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.434  -2.583   0.320  1.00  0.00           H  
HETATM   50  H   UNL     1       0.915  -1.973  -2.489  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.687   1.619   0.288  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.920   1.531   0.077  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.573   1.745   2.489  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.628   3.073   1.949  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.234  -0.179   4.035  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.491  -0.114   3.681  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.528  -1.731   2.169  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.750  -0.534   1.670  1.00  0.00           H  
HETATM   59  H   UNL     1       3.507  -0.329   0.205  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.562   2.082   3.881  1.00  0.00           H  
CONECT    1    2   32   37   38                                       
CONECT    2   31    1   39   40                                       
CONECT    3   31    8    8    4                                       
CONECT    4    3   32    5    5                                       
CONECT    5    4    4    6    9                                       
CONECT    6    7    7    5   41                                       
CONECT    7    8   21    6    6                                       
CONECT    8    3    3    7   42                                       
CONECT    9    5   27   33   33                                       
CONECT   10   27   12   43   44                                       
CONECT   11   28   28   12   45                                       
CONECT   12   11   10   13   13                                       
CONECT   13   12   12   14   46                                       
CONECT   14   15   15   13   47                                       
CONECT   15   28   14   14   48                                       
CONECT   16   19   35   35   17                                       
CONECT   17   16   18   18   49                                       
CONECT   18   34   17   17   30                                       
CONECT   19   36   20   20   16                                       
CONECT   20   21   19   19   34                                       
CONECT   21   22   22    7   20                                       
CONECT   22   36   21   21   50                                       
CONECT   23   30   24   51   52                                       
CONECT   24   23   29   53   54                                       
CONECT   25   26   29   55   56                                       
CONECT   26   30   25   57   58                                       
CONECT   27    9   10   59                                            
CONECT   28   11   11   15                                            
CONECT   29   24   25   60                                            
CONECT   30   18   23   26                                            
CONECT   31    2    3                                                 
CONECT   32    1    4                                                 
CONECT   33    9    9                                                 
CONECT   34   20   18                                                 
CONECT   35   16   16                                                 
CONECT   36   22   19                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   29                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
