COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       0.304   0.742  -1.388  1.00  0.00           S  
HETATM    2  S   UNL     1      -4.012   3.536   1.104  1.00  0.00           S  
HETATM    3  O   UNL     1      -0.190  -3.170   0.957  1.00  0.00           O  
HETATM    4  OXT UNL     1       4.088  -1.309   1.880  1.00  0.00           O  
HETATM    5  O   UNL     1       2.395  -2.744   1.919  1.00  0.00           O  
HETATM    6  O   UNL     1      -3.586  -2.315  -0.878  1.00  0.00           O  
HETATM    7  O   UNL     1      -5.940  -1.905  -0.504  1.00  0.00           O  
HETATM    8  N   UNL     1       5.037   0.329  -0.037  1.00  0.00           N1+
HETATM    9  N   UNL     1       0.988  -1.502  -0.148  1.00  0.00           N  
HETATM   10  N   UNL     1      -1.979  -0.840  -0.466  1.00  0.00           N  
HETATM   11  N   UNL     1      -5.573  -0.616  -0.046  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.732   1.633   0.080  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.327   3.540   0.315  1.00  0.00           N  
HETATM   14  C   UNL     1       6.252   0.717   0.711  1.00  0.00           C  
HETATM   15  C   UNL     1       5.041   1.030  -1.334  1.00  0.00           C  
HETATM   16  C   UNL     1       3.843   0.711   0.728  1.00  0.00           C  
HETATM   17  C   UNL     1       7.262   1.160  -0.377  1.00  0.00           C  
HETATM   18  C   UNL     1       6.333   1.871  -1.396  1.00  0.00           C  
HETATM   19  C   UNL     1       5.038  -1.122  -0.263  1.00  0.00           C  
HETATM   20  C   UNL     1       2.611   0.206   0.021  1.00  0.00           C  
HETATM   21  C   UNL     1       0.329  -1.082  -1.414  1.00  0.00           C  
HETATM   22  CA  UNL     1      -0.948  -1.760  -0.952  1.00  0.00           C  
HETATM   23  CA  UNL     1       2.158  -0.976   0.417  1.00  0.00           C  
HETATM   24  C   UNL     1       2.053   1.099  -1.038  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.037  -2.301   0.125  1.00  0.00           C  
HETATM   26  C   UNL     1       2.883  -1.735   1.452  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.277  -1.202  -0.504  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.326  -0.241  -0.090  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.958   1.145   0.274  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.837   2.004   0.826  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.528   2.862   0.438  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.338  -2.183  -0.397  1.00  0.00           C  
HETATM   33  HXT UNL     1       4.525  -1.840   2.560  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.727   0.029  -0.116  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.258   4.462   0.609  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.554   3.093  -0.064  1.00  0.00           H  
HETATM   37  H   UNL     1       6.034   1.544   1.386  1.00  0.00           H  
HETATM   38  H   UNL     1       6.642  -0.134   1.269  1.00  0.00           H  
HETATM   39  H   UNL     1       5.031   0.305  -2.148  1.00  0.00           H  
HETATM   40  H   UNL     1       4.169   1.680  -1.407  1.00  0.00           H  
HETATM   41  H   UNL     1       3.895   0.273   1.725  1.00  0.00           H  
HETATM   42  H   UNL     1       3.795   1.797   0.809  1.00  0.00           H  
HETATM   43  H   UNL     1       7.997   1.853   0.032  1.00  0.00           H  
HETATM   44  H   UNL     1       7.751   0.298  -0.830  1.00  0.00           H  
HETATM   45  H   UNL     1       6.765   1.842  -2.397  1.00  0.00           H  
HETATM   46  H   UNL     1       6.139   2.899  -1.088  1.00  0.00           H  
HETATM   47  H   UNL     1       5.467  -1.625   0.604  1.00  0.00           H  
HETATM   48  H   UNL     1       4.015  -1.467  -0.414  1.00  0.00           H  
HETATM   49  H   UNL     1       5.633  -1.352  -1.148  1.00  0.00           H  
HETATM   50  H   UNL     1       0.772  -1.499  -2.319  1.00  0.00           H  
HETATM   51  HA  UNL     1      -1.330  -2.515  -1.640  1.00  0.00           H  
HETATM   52  H   UNL     1       2.631   0.966  -1.953  1.00  0.00           H  
HETATM   53  H   UNL     1       2.145   2.135  -0.712  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.870   1.791   1.057  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.538  -3.188  -0.768  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.644  -2.113   0.647  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.898  -1.459  -0.989  1.00  0.00           H  
CONECT    1   24   21                                                 
CONECT    2   30   31                                                 
CONECT    3   25   25                                                 
CONECT    4   26   33                                                 
CONECT    5   26   26                                                 
CONECT    6   27   27                                                 
CONECT    7   11   32                                                 
CONECT    8   19   15   14   16                                       
CONECT    9   25   23   21                                            
CONECT   10   27   22   34                                            
CONECT   11   28   28    7                                            
CONECT   12   31   31   29                                            
CONECT   13   31   35   36                                            
CONECT   14   17    8   37   38                                       
CONECT   15   18    8   39   40                                       
CONECT   16    8   20   41   42                                       
CONECT   17   18   14   43   44                                       
CONECT   18   17   15   45   46                                       
CONECT   19    8   47   48   49                                       
CONECT   20   23   23   24   16                                       
CONECT   21    9   22    1   50                                       
CONECT   22   25   10   21   51                                       
CONECT   23    9   20   20   26                                       
CONECT   24   20    1   52   53                                       
CONECT   25    3    3    9   22                                       
CONECT   26   23    5    5    4                                       
CONECT   27    6    6   28   10                                       
CONECT   28   27   29   11   11                                       
CONECT   29   30   30   12   28                                       
CONECT   30    2   29   29   54                                       
CONECT   31    2   13   12   12                                       
CONECT   32    7   55   56   57                                       
CONECT   33    4                                                      
CONECT   34   10                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   30                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
