COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.965  -1.439   2.437  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.734  -1.441  -2.035  1.00  0.00           C  
HETATM    3  N   UNL     1       7.231  -1.846   0.180  1.00  0.00           N  
HETATM    4  O   UNL     1      -6.238  -0.649  -2.134  1.00  0.00           O  
HETATM    5  OXT UNL     1      -2.527   3.274   0.328  1.00  0.00           O  
HETATM    6  O   UNL     1       7.269   0.283   1.428  1.00  0.00           O  
HETATM    7  O   UNL     1       7.870   0.227  -0.997  1.00  0.00           O  
HETATM    8  O   UNL     1      -0.832   2.372  -0.783  1.00  0.00           O  
HETATM    9  O   UNL     1      -6.041   0.798   1.525  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.725  -0.151  -1.161  1.00  0.00           C  
HETATM   11  C   UNL     1       1.279   0.390  -1.225  1.00  0.00           C  
HETATM   12  C   UNL     1       4.428  -0.222   0.633  1.00  0.00           C  
HETATM   13  C   UNL     1       1.955   0.055   1.107  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.592   0.605   0.468  1.00  0.00           N  
HETATM   15  N   UNL     1       2.727   0.099  -1.143  1.00  0.00           N  
HETATM   16  N   UNL     1       5.507   0.132  -0.293  1.00  0.00           N  
HETATM   17  S   UNL     1      -0.506  -0.965   0.381  1.00  0.00           S  
HETATM   18  C   UNL     1      -1.892   2.217  -0.212  1.00  0.00           C  
HETATM   19  CA  UNL     1      -2.487   0.863  -0.110  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.289  -0.575   1.217  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.022  -1.415  -0.681  1.00  0.00           C  
HETATM   22  C   UNL     1       3.145   0.505   0.223  1.00  0.00           C  
HETATM   23  C   UNL     1       0.729   0.353   0.213  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.406  -1.002   0.042  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.934  -0.821   0.418  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.862  -0.391  -0.680  1.00  0.00           C  
HETATM   27  S   UNL     1       7.080  -0.199   0.105  1.00  0.00           S  
HETATM   28  H   UNL     1      -6.594  -1.135   3.274  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.155  -2.486   2.202  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.917  -1.310   2.705  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.981  -0.422  -2.335  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.080  -1.891  -2.781  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.650  -2.027  -1.953  1.00  0.00           H  
HETATM   34  H   UNL     1       7.074  -2.309   1.018  1.00  0.00           H  
HETATM   35  H   UNL     1       7.478  -2.347  -0.613  1.00  0.00           H  
HETATM   36  HXT UNL     1      -2.100   4.137   0.236  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.567   1.137   2.262  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.495   0.904  -1.152  1.00  0.00           H  
HETATM   39  H   UNL     1       1.123   1.379  -1.656  1.00  0.00           H  
HETATM   40  H   UNL     1       0.779  -0.363  -1.833  1.00  0.00           H  
HETATM   41  H   UNL     1       4.261  -1.298   0.602  1.00  0.00           H  
HETATM   42  H   UNL     1       4.705   0.074   1.645  1.00  0.00           H  
HETATM   43  H   UNL     1       2.021  -1.010   1.329  1.00  0.00           H  
HETATM   44  H   UNL     1       1.913   0.638   2.027  1.00  0.00           H  
HETATM   45  H   UNL     1       2.908  -0.881  -1.301  1.00  0.00           H  
HETATM   46  H   UNL     1       5.300   0.559  -1.138  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.338  -0.703   0.948  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.671  -2.409  -0.406  1.00  0.00           H  
HETATM   49  H   UNL     1       3.281   1.585   0.281  1.00  0.00           H  
HETATM   50  H   UNL     1       0.294   1.316   0.477  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.596  -2.049  -0.193  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.729  -1.296   1.378  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.503  -0.213  -1.694  1.00  0.00           H  
CONECT    1   20   28   29   30                                       
CONECT    2   21   31   32   33                                       
CONECT    3   27   34   35                                            
CONECT    4   10   10                                                 
CONECT    5   36   18                                                 
CONECT    6   27   27                                                 
CONECT    7   27   27                                                 
CONECT    8   18   18                                                 
CONECT    9   37   20                                                 
CONECT   10    4    4   38   24                                       
CONECT   11   23   39   40   15                                       
CONECT   12   22   41   42   16                                       
CONECT   13   23   43   44   22                                       
CONECT   14   19   19   25                                            
CONECT   15   11   45   22                                            
CONECT   16   12   46   27                                            
CONECT   17   23   26                                                 
CONECT   18    8    8    5   19                                       
CONECT   19   14   14   18   26                                       
CONECT   20    1    9   47   24                                       
CONECT   21    2   25   48   26                                       
CONECT   22   12   13   15   49                                       
CONECT   23   11   13   17   50                                       
CONECT   24   10   20   25   51                                       
CONECT   25   21   24   14   52                                       
CONECT   26   17   19   21   53                                       
CONECT   27    3    7    7    6                                       
CONECT   27    6   16                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
