COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.421   0.271  -2.736  1.00  0.00           N  
HETATM    2  C   UNL     1       7.960  -0.494  -1.732  1.00  0.00           C  
HETATM    3  C   UNL     1       9.299  -1.020  -1.430  1.00  0.00           C  
HETATM    4  O   UNL     1      10.389  -0.959  -1.967  1.00  0.00           O  
HETATM    5  C   UNL     1       8.770  -1.658  -0.200  1.00  0.00           C  
HETATM    6  O   UNL     1       9.217  -2.337   0.705  1.00  0.00           O  
HETATM    7  C   UNL     1       7.463  -1.092  -0.565  1.00  0.00           C  
HETATM    8  N   UNL     1       6.222  -1.133   0.018  1.00  0.00           N  
HETATM    9  C   UNL     1       5.991  -1.858   1.278  1.00  0.00           C  
HETATM   10  C   UNL     1       5.593  -0.836   2.342  1.00  0.00           C  
HETATM   11  C   UNL     1       5.072  -0.451  -0.586  1.00  0.00           C  
HETATM   12  C   UNL     1       4.299   0.282   0.481  1.00  0.00           C  
HETATM   13  C   UNL     1       3.316   1.173   0.072  1.00  0.00           C  
HETATM   14  C   UNL     1       4.533   0.097   1.819  1.00  0.00           C  
HETATM   15  C   UNL     1       3.775   0.797   2.749  1.00  0.00           C  
HETATM   16  C   UNL     1       2.794   1.675   2.338  1.00  0.00           C  
HETATM   17  C   UNL     1       2.568   1.866   1.002  1.00  0.00           C  
HETATM   18  C   UNL     1       1.504   2.832   0.549  1.00  0.00           C  
HETATM   19  N   UNL     1       0.228   2.125   0.415  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.874   2.792   0.019  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.809   3.981  -0.228  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.163   2.078  -0.117  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.207   0.802   0.153  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.342   0.088   0.053  1.00  0.00           C  
HETATM   25  S   UNL     1      -3.666  -1.612   0.351  1.00  0.00           S  
HETATM   26  C   UNL     1      -5.366  -1.421  -0.078  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.336  -2.593  -0.052  1.00  0.00           C  
HETATM   28  S   UNL     1      -8.035  -1.957  -0.015  1.00  0.00           S  
HETATM   29  O   UNL     1      -8.918  -2.981  -0.452  1.00  0.00           O  
HETATM   30  O   UNL     1      -8.262  -1.326   1.238  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.932  -0.680  -1.307  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.984   0.412  -0.830  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.637  -0.158  -0.410  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.516   0.709  -0.348  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.456   2.155  -0.652  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.449   2.763  -1.011  1.00  0.00           O  
HETATM   37  N   UNL     1      -3.268   2.780  -0.516  1.00  0.00           N  
HETATM   38  H   UNL     1       7.983   0.584  -3.461  1.00  0.00           H  
HETATM   39  H   UNL     1       6.478   0.495  -2.721  1.00  0.00           H  
HETATM   40  H   UNL     1       5.188  -2.583   1.145  1.00  0.00           H  
HETATM   41  H   UNL     1       6.905  -2.370   1.582  1.00  0.00           H  
HETATM   42  H   UNL     1       5.209  -1.361   3.217  1.00  0.00           H  
HETATM   43  H   UNL     1       6.471  -0.257   2.629  1.00  0.00           H  
HETATM   44  H   UNL     1       5.424   0.261  -1.333  1.00  0.00           H  
HETATM   45  H   UNL     1       4.424  -1.186  -1.064  1.00  0.00           H  
HETATM   46  H   UNL     1       3.135   1.324  -0.982  1.00  0.00           H  
HETATM   47  H   UNL     1       3.955   0.652   3.804  1.00  0.00           H  
HETATM   48  H   UNL     1       2.209   2.214   3.068  1.00  0.00           H  
HETATM   49  H   UNL     1       1.401   3.631   1.284  1.00  0.00           H  
HETATM   50  H   UNL     1       1.786   3.258  -0.414  1.00  0.00           H  
HETATM   51  H   UNL     1       0.176   1.176   0.611  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.195  -3.203  -0.944  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.154  -3.197   0.837  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.550  -1.121  -2.227  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.921  -0.257  -1.483  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.832   1.128  -1.637  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.433   0.926   0.020  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.196   3.729  -0.704  1.00  0.00           H  
CONECT    1    2   38   39                                            
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    2    2    5    8                                       
CONECT    8    7    9   11                                            
CONECT    9    8   10   40   41                                       
CONECT   10    9   14   42   43                                       
CONECT   11    8   12   44   45                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12   17   46                                       
CONECT   14   10   12   15   15                                       
CONECT   15   14   14   16   47                                       
CONECT   16   15   17   17   48                                       
CONECT   17   13   16   16   18                                       
CONECT   18   17   19   49   50                                       
CONECT   19   18   20   51                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   23   37                                       
CONECT   23   22   22   24                                            
CONECT   24   23   25   34   34                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   33   33                                       
CONECT   27   26   28   52   53                                       
CONECT   28   27   29   29   30                                       
CONECT   28   30   31                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28   32   54   55                                       
CONECT   32   31   33   56   57                                       
CONECT   33   26   26   32   34                                       
CONECT   34   24   24   33   35                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   22   35   58                                            
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   37                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
