COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.777   1.645   2.018  1.00  0.00           C  
HETATM    2  C   UNL     1       3.093   2.532   0.976  1.00  0.00           C  
HETATM    3  C   UNL     1       1.630   2.747   1.370  1.00  0.00           C  
HETATM    4  C   UNL     1       3.807   3.883   0.907  1.00  0.00           C  
HETATM    5  S   UNL     1       3.168   1.725  -0.647  1.00  0.00           S  
HETATM    6  O   UNL     1       2.379   2.433  -1.593  1.00  0.00           O  
HETATM    7  O   UNL     1       4.501   1.337  -0.950  1.00  0.00           O  
HETATM    8  C   UNL     1       2.312   0.201  -0.422  1.00  0.00           C  
HETATM    9  C   UNL     1       0.952   0.199  -0.351  1.00  0.00           C  
HETATM   10  C   UNL     1       0.269  -1.010  -0.172  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.143  -1.069  -0.092  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.906   0.076  -0.189  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.289   0.014   0.015  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.810  -0.862   0.965  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.169  -0.927   1.169  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.029  -0.117   0.430  1.00  0.00           C  
HETATM   17  S   UNL     1      -7.782   0.044   0.443  1.00  0.00           S  
HETATM   18  C   UNL     1      -7.707   1.232  -0.780  1.00  0.00           C  
HETATM   19  N   UNL     1      -6.501   1.462  -1.137  1.00  0.00           N  
HETATM   20  C   UNL     1      -5.521   0.768  -0.527  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.126   0.825  -0.721  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.713  -2.255   0.079  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.993  -3.361   0.174  1.00  0.00           C  
HETATM   24  N   UNL     1       0.317  -3.368   0.106  1.00  0.00           N  
HETATM   25  C   UNL     1       0.995  -2.223  -0.065  1.00  0.00           C  
HETATM   26  C   UNL     1       2.393  -2.194  -0.141  1.00  0.00           C  
HETATM   27  C   UNL     1       3.037  -0.989  -0.323  1.00  0.00           C  
HETATM   28  O   UNL     1       4.393  -0.958  -0.398  1.00  0.00           O  
HETATM   29  C   UNL     1       5.078  -2.206  -0.280  1.00  0.00           C  
HETATM   30  C   UNL     1       6.587  -1.972  -0.388  1.00  0.00           C  
HETATM   31  O   UNL     1       7.028  -1.192   0.725  1.00  0.00           O  
HETATM   32  H   UNL     1       3.806   2.165   2.975  1.00  0.00           H  
HETATM   33  H   UNL     1       3.218   0.715   2.127  1.00  0.00           H  
HETATM   34  H   UNL     1       4.794   1.422   1.694  1.00  0.00           H  
HETATM   35  H   UNL     1       1.585   3.232   2.346  1.00  0.00           H  
HETATM   36  H   UNL     1       1.143   3.379   0.628  1.00  0.00           H  
HETATM   37  H   UNL     1       1.121   1.785   1.419  1.00  0.00           H  
HETATM   38  H   UNL     1       4.849   3.729   0.626  1.00  0.00           H  
HETATM   39  H   UNL     1       3.320   4.514   0.165  1.00  0.00           H  
HETATM   40  H   UNL     1       3.762   4.367   1.883  1.00  0.00           H  
HETATM   41  H   UNL     1       0.403   1.125  -0.432  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.484   0.924  -0.399  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.147  -1.491   1.540  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.571  -1.607   1.906  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.571   1.728  -1.199  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.712   1.504  -1.452  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.507  -4.301   0.313  1.00  0.00           H  
HETATM   48  H   UNL     1       2.961  -3.110  -0.066  1.00  0.00           H  
HETATM   49  H   UNL     1       4.849  -2.658   0.685  1.00  0.00           H  
HETATM   50  H   UNL     1       4.756  -2.874  -1.079  1.00  0.00           H  
HETATM   51  H   UNL     1       7.104  -2.931  -0.387  1.00  0.00           H  
HETATM   52  H   UNL     1       6.807  -1.441  -1.314  1.00  0.00           H  
HETATM   53  H   UNL     1       7.977  -1.005   0.723  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    5    4    3                                       
CONECT    3    2   35   36   37                                       
CONECT    4    2   38   39   40                                       
CONECT    5    7    7    8    2                                       
CONECT    5    6    6                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8   27    5    9    9                                       
CONECT    9    8    8   10   41                                       
CONECT   10   25    9   11   11                                       
CONECT   11   10   10   22   12                                       
CONECT   12   11   13   42                                            
CONECT   13   12   14   14   21                                       
CONECT   14   13   13   15   43                                       
CONECT   15   14   16   16   44                                       
CONECT   16   15   15   20   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   45                                       
CONECT   19   20   18   18                                            
CONECT   20   21   21   16   19                                       
CONECT   21   13   20   20   46                                       
CONECT   22   23   23   11                                            
CONECT   23   24   22   22   47                                       
CONECT   24   25   25   23                                            
CONECT   25   26   24   24   10                                       
CONECT   26   27   27   25   48                                       
CONECT   27   28   26   26    8                                       
CONECT   28   29   27                                                 
CONECT   29   30   28   49   50                                       
CONECT   30   31   29   51   52                                       
CONECT   31   30   53                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   18                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   26                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
