COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.549  -0.017  -0.012  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.906  -0.038   1.212  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.617   0.449   1.324  1.00  0.00           C  
HETATM    4  O   UNL     1     -10.367  -0.997  -1.518  1.00  0.00           O  
HETATM    5  S   UNL     1     -10.191  -0.637  -0.155  1.00  0.00           S  
HETATM    6  O   UNL     1     -10.371  -1.550   0.919  1.00  0.00           O  
HETATM    7  N   UNL     1     -11.220   0.629   0.130  1.00  0.00           N  
HETATM    8  C   UNL     1      -7.904   0.496  -1.122  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.615   0.983  -1.010  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.971   0.957   0.213  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.566   1.488   0.336  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.569   0.356   0.081  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.203   0.873   0.200  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.152   0.049   0.015  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.337  -1.120  -0.250  1.00  0.00           O  
HETATM   16  C   UNL     1       0.253   0.581   0.138  1.00  0.00           C  
HETATM   17  N   UNL     1       1.208  -0.503  -0.106  1.00  0.00           N  
HETATM   18  C   UNL     1       2.574  -0.252  -0.047  1.00  0.00           C  
HETATM   19  C   UNL     1       3.033   1.028   0.250  1.00  0.00           C  
HETATM   20  C   UNL     1       4.385   1.280   0.310  1.00  0.00           C  
HETATM   21  C   UNL     1       5.297   0.248   0.072  1.00  0.00           C  
HETATM   22  C   UNL     1       4.833  -1.037  -0.226  1.00  0.00           C  
HETATM   23  C   UNL     1       3.480  -1.283  -0.279  1.00  0.00           C  
HETATM   24  C   UNL     1       6.747   0.514   0.134  1.00  0.00           C  
HETATM   25  O   UNL     1       7.149   1.633   0.392  1.00  0.00           O  
HETATM   26  N   UNL     1       7.625  -0.482  -0.096  1.00  0.00           N  
HETATM   27  C   UNL     1       8.998  -0.206  -0.151  1.00  0.00           C  
HETATM   28  C   UNL     1       9.439   1.066  -0.486  1.00  0.00           C  
HETATM   29  C   UNL     1      10.793   1.336  -0.540  1.00  0.00           C  
HETATM   30  C   UNL     1      11.712   0.341  -0.262  1.00  0.00           C  
HETATM   31  C   UNL     1      11.282  -0.930   0.073  1.00  0.00           C  
HETATM   32  C   UNL     1       9.925  -1.208   0.135  1.00  0.00           C  
HETATM   33  N   UNL     1       9.486  -2.492   0.478  1.00  0.00           N  
HETATM   34  H   UNL     1      -8.411  -0.435   2.080  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.115   0.432   2.281  1.00  0.00           H  
HETATM   36  H   UNL     1     -12.091   0.652  -0.296  1.00  0.00           H  
HETATM   37  H   UNL     1     -10.952   1.347   0.724  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.408   0.517  -2.077  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.111   1.383  -1.877  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.412   2.280  -0.397  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.415   1.887   1.339  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.723  -0.436   0.814  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.720  -0.042  -0.922  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.055   1.808   0.413  1.00  0.00           H  
HETATM   45  H   UNL     1       0.407   1.373  -0.595  1.00  0.00           H  
HETATM   46  H   UNL     1       0.404   0.979   1.141  1.00  0.00           H  
HETATM   47  H   UNL     1       0.887  -1.396  -0.309  1.00  0.00           H  
HETATM   48  H   UNL     1       2.327   1.825   0.434  1.00  0.00           H  
HETATM   49  H   UNL     1       4.740   2.273   0.539  1.00  0.00           H  
HETATM   50  H   UNL     1       5.536  -1.836  -0.411  1.00  0.00           H  
HETATM   51  H   UNL     1       3.121  -2.276  -0.505  1.00  0.00           H  
HETATM   52  H   UNL     1       7.307  -1.389  -0.223  1.00  0.00           H  
HETATM   53  H   UNL     1       8.724   1.845  -0.704  1.00  0.00           H  
HETATM   54  H   UNL     1      11.135   2.326  -0.801  1.00  0.00           H  
HETATM   55  H   UNL     1      12.770   0.557  -0.306  1.00  0.00           H  
HETATM   56  H   UNL     1      12.003  -1.704   0.289  1.00  0.00           H  
HETATM   57  H   UNL     1       8.537  -2.686   0.518  1.00  0.00           H  
HETATM   58  H   UNL     1      10.132  -3.187   0.677  1.00  0.00           H  
CONECT    1    2    2    8    5                                       
CONECT    2    3    1    1   34                                       
CONECT    3   10   10    2   35                                       
CONECT    4    5    5                                                 
CONECT    5    1    7    4    4                                       
CONECT    5    6    6                                                 
CONECT    6    5    5                                                 
CONECT    7    5   36   37                                            
CONECT    8    9    9    1   38                                       
CONECT    9   10    8    8   39                                       
CONECT   10   11    3    3    9                                       
CONECT   11   12   10   40   41                                       
CONECT   12   13   11   42   43                                       
CONECT   13   14   12   44                                            
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   45   46                                       
CONECT   17   16   18   47                                            
CONECT   18   17   23   23   19                                       
CONECT   19   18   20   20   48                                       
CONECT   20   19   19   21   49                                       
CONECT   21   22   22   20   24                                       
CONECT   22   23   21   21   50                                       
CONECT   23   18   18   22   51                                       
CONECT   24   21   26   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   52                                            
CONECT   27   26   32   32   28                                       
CONECT   28   27   29   29   53                                       
CONECT   29   28   28   30   54                                       
CONECT   30   31   31   29   55                                       
CONECT   31   32   30   30   56                                       
CONECT   32   33   27   27   31                                       
CONECT   33   32   57   58                                            
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
