COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -0.187   2.093   0.050  1.00  0.00           S  
HETATM    2  O   UNL     1       0.473   1.777  -1.168  1.00  0.00           O  
HETATM    3  O   UNL     1       0.020   3.311   0.753  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.915   1.996  -0.280  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.810   2.693   0.511  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.165   2.617   0.252  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.627   1.845  -0.798  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.732   1.149  -1.589  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.376   1.229  -1.333  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.105   1.762  -1.079  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.740  -2.247   0.706  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.022  -2.793   1.173  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.870  -3.169  -0.046  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.073  -4.118  -0.944  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.806  -3.413  -1.436  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.935  -3.039  -0.233  1.00  0.00           C  
HETATM   17  N   UNL     1       0.179   0.874   1.110  1.00  0.00           N  
HETATM   18  C   UNL     1       0.035  -0.524   0.695  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.313  -1.040   1.128  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.015  -0.369   1.855  1.00  0.00           O  
HETATM   21  C   UNL     1       1.135  -1.365   1.346  1.00  0.00           C  
HETATM   22  C   UNL     1       2.478  -0.934   0.814  1.00  0.00           C  
HETATM   23  C   UNL     1       3.184   0.068   1.455  1.00  0.00           C  
HETATM   24  C   UNL     1       3.002  -1.546  -0.310  1.00  0.00           C  
HETATM   25  C   UNL     1       4.414   0.467   0.973  1.00  0.00           C  
HETATM   26  C   UNL     1       4.231  -1.157  -0.802  1.00  0.00           C  
HETATM   27  C   UNL     1       4.945  -0.143  -0.163  1.00  0.00           C  
HETATM   28  C   UNL     1       6.264   0.280  -0.686  1.00  0.00           C  
HETATM   29  N   UNL     1       6.931   1.224  -0.084  1.00  0.00           N  
HETATM   30  N   UNL     1       6.786  -0.324  -1.808  1.00  0.00           N  
HETATM   31  H   UNL     1      -2.449   3.296   1.332  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.864   3.161   0.871  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.092   0.546  -2.409  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.676   0.688  -1.953  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.387   2.552  -1.775  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.337   0.791  -1.518  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.659   1.882  -0.148  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.842  -3.679   1.781  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.545  -2.042   1.764  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.783  -3.664   0.285  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.125  -2.269  -0.604  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.796  -5.008  -0.378  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.683  -4.407  -1.800  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.251  -4.081  -2.095  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.081  -2.510  -1.981  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.081  -2.451  -0.570  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.585  -3.946   0.260  1.00  0.00           H  
HETATM   48  H   UNL     1       0.119  -0.592  -0.389  1.00  0.00           H  
HETATM   49  H   UNL     1       1.110  -1.222   2.427  1.00  0.00           H  
HETATM   50  H   UNL     1       0.973  -2.417   1.115  1.00  0.00           H  
HETATM   51  H   UNL     1       2.771   0.540   2.335  1.00  0.00           H  
HETATM   52  H   UNL     1       2.448  -2.331  -0.804  1.00  0.00           H  
HETATM   53  H   UNL     1       4.964   1.250   1.474  1.00  0.00           H  
HETATM   54  H   UNL     1       4.639  -1.636  -1.679  1.00  0.00           H  
HETATM   55  H   UNL     1       7.795   1.501  -0.427  1.00  0.00           H  
HETATM   56  H   UNL     1       6.290  -1.027  -2.256  1.00  0.00           H  
HETATM   57  H   UNL     1       7.651  -0.047  -2.151  1.00  0.00           H  
HETATM   58  H   UNL     1       0.488   1.085   2.004  1.00  0.00           H  
CONECT    1    2    2    3    3                                       
CONECT    1    4   17                                                 
CONECT    2    1    1                                                 
CONECT    3    1    1                                                 
CONECT    4    1    5    5    9                                       
CONECT    5    4    4    6   31                                       
CONECT    6    5    7    7   32                                       
CONECT    7    6    6    8   10                                       
CONECT    8    7    9    9   33                                       
CONECT    9    4    8    8   34                                       
CONECT   10    7   35   36   37                                       
CONECT   11   12   16   19                                            
CONECT   12   11   13   38   39                                       
CONECT   13   12   14   40   41                                       
CONECT   14   13   15   42   43                                       
CONECT   15   14   16   44   45                                       
CONECT   16   11   15   46   47                                       
CONECT   17    1   18   58                                            
CONECT   18   17   19   21   48                                       
CONECT   19   11   18   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   49   50                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22   25   51                                       
CONECT   24   22   26   26   52                                       
CONECT   25   23   27   27   53                                       
CONECT   26   24   24   27   54                                       
CONECT   27   25   25   26   28                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28   55                                            
CONECT   30   28   56   57                                            
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   17                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
