COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.899   0.475   0.371  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.535   0.581   1.856  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.558  -0.757   2.460  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.385  -0.681   3.917  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.546  -1.633   1.854  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.869  -1.830   0.369  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.004  -0.507  -0.259  1.00  0.00           N  
HETATM    8  S   UNL     1      -3.170  -0.133  -1.641  1.00  0.00           S  
HETATM    9  O   UNL     1      -2.873  -1.369  -2.277  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.893   0.913  -2.275  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.626   0.556  -1.148  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.537  -0.266  -0.957  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.510   1.924  -0.960  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.305   2.477  -0.573  1.00  0.00           C  
HETATM   15  C   UNL     1       0.800   1.663  -0.371  1.00  0.00           C  
HETATM   16  O   UNL     1       1.985   2.205   0.009  1.00  0.00           O  
HETATM   17  C   UNL     1       2.023   3.623   0.183  1.00  0.00           C  
HETATM   18  C   UNL     1       3.431   4.046   0.608  1.00  0.00           C  
HETATM   19  C   UNL     1       3.473   5.564   0.794  1.00  0.00           C  
HETATM   20  C   UNL     1       0.688   0.280  -0.566  1.00  0.00           C  
HETATM   21  C   UNL     1       1.858  -0.595  -0.359  1.00  0.00           C  
HETATM   22  N   UNL     1       3.004  -0.065   0.014  1.00  0.00           N  
HETATM   23  C   UNL     1       4.090  -0.815   0.214  1.00  0.00           C  
HETATM   24  C   UNL     1       5.488  -0.420   0.638  1.00  0.00           C  
HETATM   25  C   UNL     1       6.151  -1.732   1.111  1.00  0.00           C  
HETATM   26  C   UNL     1       5.367  -2.797   0.314  1.00  0.00           C  
HETATM   27  C   UNL     1       4.023  -2.164   0.030  1.00  0.00           C  
HETATM   28  C   UNL     1       2.802  -2.741  -0.370  1.00  0.00           C  
HETATM   29  O   UNL     1       2.711  -3.946  -0.543  1.00  0.00           O  
HETATM   30  N   UNL     1       1.732  -1.939  -0.554  1.00  0.00           N  
HETATM   31  H   UNL     1      -5.933   0.146   0.270  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.772   1.446  -0.107  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.537   1.009   1.957  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.258   1.221   2.362  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.192  -0.089   4.348  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.406  -1.686   4.338  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.428  -0.212   4.144  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.562  -1.175   1.955  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.551  -2.599   2.359  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.061  -2.383  -0.111  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.802  -2.384   0.268  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.631  -1.331  -1.109  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.368   2.562  -1.116  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.223   3.544  -0.429  1.00  0.00           H  
HETATM   45  H   UNL     1       1.766   4.111  -0.757  1.00  0.00           H  
HETATM   46  H   UNL     1       1.308   3.915   0.951  1.00  0.00           H  
HETATM   47  H   UNL     1       3.688   3.558   1.548  1.00  0.00           H  
HETATM   48  H   UNL     1       4.146   3.754  -0.161  1.00  0.00           H  
HETATM   49  H   UNL     1       4.475   5.865   1.097  1.00  0.00           H  
HETATM   50  H   UNL     1       3.215   6.052  -0.146  1.00  0.00           H  
HETATM   51  H   UNL     1       2.757   5.856   1.563  1.00  0.00           H  
HETATM   52  H   UNL     1       6.036  -0.002  -0.206  1.00  0.00           H  
HETATM   53  H   UNL     1       5.446   0.299   1.456  1.00  0.00           H  
HETATM   54  H   UNL     1       7.209  -1.749   0.847  1.00  0.00           H  
HETATM   55  H   UNL     1       6.019  -1.869   2.184  1.00  0.00           H  
HETATM   56  H   UNL     1       5.882  -3.027  -0.618  1.00  0.00           H  
HETATM   57  H   UNL     1       5.243  -3.701   0.911  1.00  0.00           H  
HETATM   58  H   UNL     1       0.880  -2.315  -0.825  1.00  0.00           H  
CONECT    1    2    7   31   32                                       
CONECT    2    1    3   33   34                                       
CONECT    3    2    4    5                                            
CONECT    4    3   35   36   37                                       
CONECT    5    3    6   38   39                                       
CONECT    6    7    5   40   41                                       
CONECT    7    8    1    6                                            
CONECT    8   10   10    9    9                                       
CONECT    8   11    7                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11   13    8   12   12                                       
CONECT   12   11   11   20   42                                       
CONECT   13   14   14   11   43                                       
CONECT   14   13   13   15   44                                       
CONECT   15   14   16   20   20                                       
CONECT   16   17   15                                                 
CONECT   17   18   16   45   46                                       
CONECT   18   17   19   47   48                                       
CONECT   19   18   49   50   51                                       
CONECT   20   15   15   12   21                                       
CONECT   21   20   30   22   22                                       
CONECT   22   21   21   23                                            
CONECT   23   22   27   27   24                                       
CONECT   24   23   25   52   53                                       
CONECT   25   24   26   54   55                                       
CONECT   26   27   25   56   57                                       
CONECT   27   28   23   23   26                                       
CONECT   28   30   29   29   27                                       
CONECT   29   28   28                                                 
CONECT   30   21   28   58                                            
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   30                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
