COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.783   0.520  -0.242  1.00  0.00           C  
HETATM    2  C   UNL     1       9.466   1.682  -0.535  1.00  0.00           C  
HETATM    3  C   UNL     1      10.641   1.985   0.130  1.00  0.00           C  
HETATM    4  S   UNL     1      11.507   3.472  -0.251  1.00  0.00           S  
HETATM    5  O   UNL     1      12.859   3.257   0.128  1.00  0.00           O  
HETATM    6  O   UNL     1      11.117   3.837  -1.567  1.00  0.00           O  
HETATM    7  N   UNL     1      10.922   4.651   0.754  1.00  0.00           N  
HETATM    8  C   UNL     1      11.139   1.125   1.093  1.00  0.00           C  
HETATM    9  C   UNL     1      10.466  -0.040   1.396  1.00  0.00           C  
HETATM   10  C   UNL     1       9.277  -0.348   0.733  1.00  0.00           C  
HETATM   11  C   UNL     1       8.551  -1.596   1.053  1.00  0.00           C  
HETATM   12  O   UNL     1       8.988  -2.355   1.895  1.00  0.00           O  
HETATM   13  N   UNL     1       7.403  -1.890   0.410  1.00  0.00           N  
HETATM   14  C   UNL     1       6.683  -3.126   0.727  1.00  0.00           C  
HETATM   15  C   UNL     1       5.442  -3.217  -0.123  1.00  0.00           C  
HETATM   16  C   UNL     1       4.255  -2.676   0.329  1.00  0.00           C  
HETATM   17  C   UNL     1       5.495  -3.837  -1.358  1.00  0.00           C  
HETATM   18  C   UNL     1       4.359  -3.922  -2.141  1.00  0.00           C  
HETATM   19  C   UNL     1       3.167  -3.386  -1.691  1.00  0.00           C  
HETATM   20  C   UNL     1       3.113  -2.759  -0.455  1.00  0.00           C  
HETATM   21  O   UNL     1       1.943  -2.227  -0.012  1.00  0.00           O  
HETATM   22  C   UNL     1       0.808  -2.351  -0.871  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.407  -1.698  -0.209  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.622  -1.830  -1.129  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.785  -1.204  -0.495  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.559  -0.236  -1.037  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.250  -1.486   0.672  1.00  0.00           N  
HETATM   28  N   UNL     1      -4.278  -0.756   0.928  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.510   0.046  -0.117  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.615   1.064  -0.244  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.965   0.383  -0.008  1.00  0.00           C  
HETATM   32  O   UNL     1      -8.012   1.348  -0.129  1.00  0.00           O  
HETATM   33  C   UNL     1      -9.281   0.906   0.053  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.536  -0.420   0.348  1.00  0.00           C  
HETATM   35  CA  UNL     1     -10.860  -0.845   0.530  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.125  -2.263   0.844  1.00  0.00           C  
HETATM   37  O   UNL     1     -10.204  -3.044   0.942  1.00  0.00           O  
HETATM   38  N   UNL     1     -11.876  -0.006   0.427  1.00  0.00           N  
HETATM   39  C   UNL     1     -11.691   1.281   0.146  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.381   1.788  -0.047  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.196   3.147  -0.338  1.00  0.00           C  
HETATM   42  C   UNL     1     -11.273   3.977  -0.429  1.00  0.00           C  
HETATM   43  C   UNL     1     -12.566   3.497  -0.237  1.00  0.00           C  
HETATM   44  C   UNL     1     -12.791   2.167   0.039  1.00  0.00           C  
HETATM   45  N   UNL     1     -14.089   1.699   0.228  1.00  0.00           N  
HETATM   46  H   UNL     1       7.867   0.285  -0.762  1.00  0.00           H  
HETATM   47  H   UNL     1       9.083   2.357  -1.286  1.00  0.00           H  
HETATM   48  H   UNL     1      11.497   5.380   1.032  1.00  0.00           H  
HETATM   49  H   UNL     1      10.004   4.611   1.065  1.00  0.00           H  
HETATM   50  H   UNL     1      12.059   1.365   1.605  1.00  0.00           H  
HETATM   51  H   UNL     1      10.856  -0.710   2.148  1.00  0.00           H  
HETATM   52  H   UNL     1       7.054  -1.284  -0.262  1.00  0.00           H  
HETATM   53  H   UNL     1       7.326  -3.983   0.525  1.00  0.00           H  
HETATM   54  H   UNL     1       6.402  -3.124   1.781  1.00  0.00           H  
HETATM   55  H   UNL     1       4.215  -2.188   1.292  1.00  0.00           H  
HETATM   56  H   UNL     1       6.425  -4.256  -1.712  1.00  0.00           H  
HETATM   57  H   UNL     1       4.402  -4.406  -3.105  1.00  0.00           H  
HETATM   58  H   UNL     1       2.280  -3.452  -2.303  1.00  0.00           H  
HETATM   59  H   UNL     1       1.015  -1.855  -1.820  1.00  0.00           H  
HETATM   60  H   UNL     1       0.601  -3.406  -1.051  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.614  -2.193   0.740  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.199  -0.643  -0.030  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.415  -1.334  -2.077  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.829  -2.885  -1.308  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.441   0.221  -2.009  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.470   1.851   0.495  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.596   1.497  -1.244  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.109  -0.404  -0.748  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.983  -0.050   0.992  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.722  -1.123   0.437  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.140  -2.604   0.987  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.200   3.536  -0.489  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.122   5.022  -0.653  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.403   4.175  -0.315  1.00  0.00           H  
HETATM   75  H   UNL     1     -14.243   0.764   0.435  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.840   2.309   0.154  1.00  0.00           H  
CONECT    1   10   10    2   46                                       
CONECT    2    3    3    1   47                                       
CONECT    3    8    4    2    2                                       
CONECT    4    5    5    7    3                                       
CONECT    4    6    6                                                 
CONECT    5    4    4                                                 
CONECT    6    4    4                                                 
CONECT    7    4   48   49                                            
CONECT    8    9    9    3   50                                       
CONECT    9    8    8   10   51                                       
CONECT   10    9   11    1    1                                       
CONECT   11   12   12   10   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   52                                            
CONECT   14   13   15   53   54                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15   20   55                                       
CONECT   17   15   18   18   56                                       
CONECT   18   17   17   19   57                                       
CONECT   19   20   20   18   58                                       
CONECT   20   16   21   19   19                                       
CONECT   21   22   20                                                 
CONECT   22   21   23   59   60                                       
CONECT   23   22   24   61   62                                       
CONECT   24   23   25   63   64                                       
CONECT   25   27   24   26                                            
CONECT   26   25   29   29   65                                       
CONECT   27   28   28   25                                            
CONECT   28   27   27   29                                            
CONECT   29   28   26   26   30                                       
CONECT   30   29   31   66   67                                       
CONECT   31   30   32   68   69                                       
CONECT   32   31   33                                                 
CONECT   33   32   40   40   34                                       
CONECT   34   33   35   35   70                                       
CONECT   35   34   34   38   36                                       
CONECT   36   35   37   37   71                                       
CONECT   37   36   36                                                 
CONECT   38   39   39   35                                            
CONECT   39   40   44   38   38                                       
CONECT   40   41   33   33   39                                       
CONECT   41   42   42   40   72                                       
CONECT   42   41   41   43   73                                       
CONECT   43   42   44   44   74                                       
CONECT   44   43   43   39   45                                       
CONECT   45   44   75   76                                            
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   26                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   34                                                      
CONECT   71   36                                                      
CONECT   72   41                                                      
CONECT   73   42                                                      
CONECT   74   43                                                      
CONECT   75   45                                                      
CONECT   76   45                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
