COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.649   0.034  -6.679  1.00  0.00           O  
HETATM    2  C   UNL     1       2.786  -1.184  10.972  1.00  0.00           C  
HETATM    3  C   UNL     1       1.697  -0.466  10.218  1.00  0.00           C  
HETATM    4  N   UNL     1       1.186  -1.007   9.094  1.00  0.00           N  
HETATM    5  O   UNL     1       1.280   0.598  10.622  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.139  -0.357  -7.708  1.00  0.00           C  
HETATM    7  OXT UNL     1      -1.902  -0.908  -8.671  1.00  0.00           O  
HETATM    8  CA  UNL     1       0.324  -0.231  -7.904  1.00  0.00           C  
HETATM    9  N   UNL     1       0.871  -0.551  -9.072  1.00  0.00           N  
HETATM   10  C   UNL     1       2.173  -0.438  -9.244  1.00  0.00           C  
HETATM   11  C   UNL     1       2.979   0.021  -8.209  1.00  0.00           C  
HETATM   12  N   UNL     1       2.448   0.348  -7.047  1.00  0.00           N  
HETATM   13  C   UNL     1       1.137   0.238  -6.861  1.00  0.00           C  
HETATM   14  C   UNL     1       0.536   0.604  -5.556  1.00  0.00           C  
HETATM   15  O   UNL     1       0.233   1.758  -5.329  1.00  0.00           O  
HETATM   16  N   UNL     1       0.326  -0.343  -4.621  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.267   0.018  -3.331  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.064  -1.168  -2.786  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.684  -0.790  -1.439  1.00  0.00           C  
HETATM   20  C   UNL     1       0.842   0.383  -2.344  1.00  0.00           C  
HETATM   21  C   UNL     1       0.223   0.761  -0.997  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.574  -0.425  -0.452  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.184  -0.053   0.874  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.388  -0.078   1.016  1.00  0.00           O  
HETATM   25  N   UNL     1      -0.392   0.307   1.903  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.985   0.668   3.193  1.00  0.00           C  
HETATM   27  C   UNL     1       0.124   1.034   4.180  1.00  0.00           C  
HETATM   28  S   UNL     1      -1.581  -0.267   6.225  1.00  0.00           S  
HETATM   29  C   UNL     1       0.127  -0.309   8.361  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.270  -1.131   7.133  1.00  0.00           C  
HETATM   31  S   UNL     1      -0.610   1.482   5.777  1.00  0.00           S  
HETATM   32  H   UNL     1       3.069  -0.598  11.846  1.00  0.00           H  
HETATM   33  H   UNL     1       2.423  -2.161  11.291  1.00  0.00           H  
HETATM   34  H   UNL     1       3.653  -1.312  10.324  1.00  0.00           H  
HETATM   35  H   UNL     1       1.520  -1.858   8.770  1.00  0.00           H  
HETATM   36  HXT UNL     1      -2.857  -0.991  -8.543  1.00  0.00           H  
HETATM   37  H   UNL     1       2.616  -0.702 -10.193  1.00  0.00           H  
HETATM   38  H   UNL     1       4.045   0.112  -8.357  1.00  0.00           H  
HETATM   39  H   UNL     1       0.568  -1.265  -4.802  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.931   0.872  -3.464  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.399  -2.022  -2.654  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.854  -1.429  -3.490  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.251  -1.636  -1.051  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.348   0.063  -1.572  1.00  0.00           H  
HETATM   45  H   UNL     1       1.507  -0.470  -2.211  1.00  0.00           H  
HETATM   46  H   UNL     1       1.410   1.229  -2.732  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.441   1.615  -1.129  1.00  0.00           H  
HETATM   48  H   UNL     1       1.013   1.021  -0.293  1.00  0.00           H  
HETATM   49  H   UNL     1       0.090  -1.279  -0.319  1.00  0.00           H  
HETATM   50  H   UNL     1       0.570   0.327   1.790  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.553  -0.176   3.581  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.650   1.522   3.060  1.00  0.00           H  
HETATM   53  H   UNL     1       0.692   1.879   3.792  1.00  0.00           H  
HETATM   54  H   UNL     1       0.788   0.180   4.313  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.739  -0.181   9.009  1.00  0.00           H  
HETATM   56  H   UNL     1       0.490   0.668   8.041  1.00  0.00           H  
HETATM   57  H   UNL     1       0.596  -1.259   6.485  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.632  -2.108   7.452  1.00  0.00           H  
CONECT    1    6    6                                                 
CONECT    2    3   32   33   34                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   29   35                                            
CONECT    5    3    3                                                 
CONECT    6    1    1    7    8                                       
CONECT    7    6   36                                                 
CONECT    8    6    9    9   13                                       
CONECT    9    8    8   10                                            
CONECT   10    9   11   11   37                                       
CONECT   11   10   10   12   38                                       
CONECT   12   11   13   13                                            
CONECT   13    8   12   12   14                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   39                                            
CONECT   17   16   18   20   40                                       
CONECT   18   17   19   41   42                                       
CONECT   19   18   22   43   44                                       
CONECT   20   17   21   45   46                                       
CONECT   21   20   22   47   48                                       
CONECT   22   19   21   23   49                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   50                                            
CONECT   26   25   27   51   52                                       
CONECT   27   26   31   53   54                                       
CONECT   28   30   31                                                 
CONECT   29    4   30   55   56                                       
CONECT   30   28   29   57   58                                       
CONECT   31   27   28                                                 
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
