COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.501  -0.001   0.520  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.716  -0.189   1.432  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.247  -1.584   1.022  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.183  -1.462  -0.106  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.560  -0.905  -1.383  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.575   0.603  -1.329  1.00  0.00           C  
HETATM    7  O   UNL     1       3.464   1.678   0.627  1.00  0.00           O  
HETATM    8  C   UNL     1       3.048  -1.442  -0.177  1.00  0.00           C  
HETATM    9  C   UNL     1       3.535  -2.581  -1.074  1.00  0.00           C  
HETATM   10  CA  UNL     1       3.171  -0.089  -0.904  1.00  0.00           C  
HETATM   11  C   UNL     1       4.003   0.842  -0.060  1.00  0.00           C  
HETATM   12  C   UNL     1       0.895   0.199  -0.090  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.543   0.422  -0.564  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.092  -0.609   1.486  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.252   2.425   1.216  1.00  0.00           O  
HETATM   16  N   UNL     1       1.872   0.540  -1.161  1.00  0.00           N  
HETATM   17  C   UNL     1       3.831  -1.421   1.137  1.00  0.00           C  
HETATM   18  OXT UNL     1       5.341   0.743  -0.071  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.260   1.124  -0.723  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.572   2.767   0.097  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.810   0.303   0.419  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.743   1.841  -0.867  1.00  0.00           N  
HETATM   23  S   UNL     1       1.247  -1.597   0.146  1.00  0.00           S  
HETATM   24  H   UNL     1      -4.553   0.502   1.537  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.189  -0.266   2.383  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.410  -2.217   0.729  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.763  -2.037   1.868  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.593  -2.449  -0.324  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.003  -0.809   0.192  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.532  -1.256  -1.468  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.133  -1.244  -2.246  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.690   0.999  -2.339  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.412   0.934  -0.716  1.00  0.00           H  
HETATM   34  H   UNL     1       3.404  -3.532  -0.558  1.00  0.00           H  
HETATM   35  H   UNL     1       2.958  -2.588  -1.999  1.00  0.00           H  
HETATM   36  H   UNL     1       4.590  -2.436  -1.306  1.00  0.00           H  
HETATM   37  HA  UNL     1       3.678  -0.246  -1.856  1.00  0.00           H  
HETATM   38  H   UNL     1       1.098   0.763   0.821  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.725  -0.170  -1.461  1.00  0.00           H  
HETATM   40  H   UNL     1       1.518   0.280  -2.070  1.00  0.00           H  
HETATM   41  H   UNL     1       4.889  -1.264   0.927  1.00  0.00           H  
HETATM   42  H   UNL     1       3.462  -0.611   1.767  1.00  0.00           H  
HETATM   43  H   UNL     1       3.700  -2.372   1.653  1.00  0.00           H  
HETATM   44  HXT UNL     1       5.832   1.362   0.487  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.487   1.114  -1.492  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.408   2.149  -0.384  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.719   3.813  -0.126  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.999   2.115  -1.762  1.00  0.00           H  
CONECT    1   14   14   21   13                                       
CONECT    2    3   21   24   25                                       
CONECT    3    2    4   26   27                                       
CONECT    4    3    5   28   29                                       
CONECT    5    4    6   30   31                                       
CONECT    6    5   19   32   33                                       
CONECT    7   11   11                                                 
CONECT    8   23   10   17    9                                       
CONECT    9    8   34   35   36                                       
CONECT   10   16    8   11   37                                       
CONECT   11    7    7   10   18                                       
CONECT   12   13   16   23   38                                       
CONECT   13   22    1   12   39                                       
CONECT   14    1    1                                                 
CONECT   15   20   20                                                 
CONECT   16   12   10   40                                            
CONECT   17    8   41   42   43                                       
CONECT   18   11   44                                                 
CONECT   19   21    6   45   46                                       
CONECT   20   22   15   15   47                                       
CONECT   21    2    1   19                                            
CONECT   22   20   13   48                                            
CONECT   23   12    8                                                 
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
