COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.658   0.642  -7.094  1.00  0.00           C  
HETATM    2  CA  UNL     1      -0.289   0.205  -6.007  1.00  0.00           C  
HETATM    3  C   UNL     1       0.409   0.309  -4.649  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.552  -0.134  -3.545  1.00  0.00           C  
HETATM    5  C   UNL     1       0.146  -0.030  -2.188  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.801  -0.467  -1.101  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.400  -0.459   0.185  1.00  0.00           N  
HETATM    8  CA  UNL     1      -1.321  -0.884   1.242  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.732   0.231   2.181  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.697  -1.186  -6.242  1.00  0.00           N  
HETATM   11  O   UNL     1      -1.924  -0.826  -1.383  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.624  -1.510   2.452  1.00  0.00           C  
HETATM   13  S   UNL     1       1.211  -1.484   2.357  1.00  0.00           S  
HETATM   14  O   UNL     1      -2.469   1.188   2.080  1.00  0.00           O  
HETATM   15  O   UNL     1       0.702   1.930  -7.468  1.00  0.00           O  
HETATM   16  OXT UNL     1       1.377  -0.167  -7.630  1.00  0.00           O  
HETATM   17  N   UNL     1      -0.944  -0.279   3.215  1.00  0.00           N  
HETATM   18  CA  UNL     1       0.205   0.540   3.615  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.109   1.224   4.920  1.00  0.00           C  
HETATM   20  C   UNL     1       1.496  -0.312   3.758  1.00  0.00           C  
HETATM   21  C   UNL     1       1.542  -1.041   5.102  1.00  0.00           C  
HETATM   22  C   UNL     1       2.754   0.531   3.538  1.00  0.00           C  
HETATM   23  O   UNL     1       0.458   2.404   5.214  1.00  0.00           O  
HETATM   24  OXT UNL     1      -0.873   0.709   5.703  1.00  0.00           O  
HETATM   25  HA  UNL     1      -1.169   0.848  -6.012  1.00  0.00           H  
HETATM   26  H   UNL     1       0.712   1.341  -4.474  1.00  0.00           H  
HETATM   27  H   UNL     1       1.289  -0.333  -4.644  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.855  -1.166  -3.720  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.433   0.508  -3.551  1.00  0.00           H  
HETATM   30  H   UNL     1       0.448   1.001  -2.013  1.00  0.00           H  
HETATM   31  H   UNL     1       1.026  -0.673  -2.183  1.00  0.00           H  
HETATM   32  H   UNL     1       0.498  -0.172   0.411  1.00  0.00           H  
HETATM   33  HA  UNL     1      -2.158  -1.471   0.866  1.00  0.00           H  
HETATM   34  H1  UNL     1       0.145  -1.741  -6.229  1.00  0.00           H  
HETATM   35  H2  UNL     1      -1.243  -1.467  -5.442  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.054  -2.440   2.822  1.00  0.00           H  
HETATM   37  H   UNL     1       1.310   2.210  -8.165  1.00  0.00           H  
HETATM   38  HA  UNL     1       0.384   1.297   2.852  1.00  0.00           H  
HETATM   39  H   UNL     1       2.417  -1.691   5.133  1.00  0.00           H  
HETATM   40  H   UNL     1       1.603  -0.311   5.910  1.00  0.00           H  
HETATM   41  H   UNL     1       0.640  -1.641   5.221  1.00  0.00           H  
HETATM   42  H   UNL     1       3.632  -0.113   3.564  1.00  0.00           H  
HETATM   43  H   UNL     1       2.694   1.026   2.569  1.00  0.00           H  
HETATM   44  H   UNL     1       2.830   1.281   4.325  1.00  0.00           H  
HETATM   45  H   UNL     1       0.255   2.843   6.052  1.00  0.00           H  
CONECT    1    2   15   16   16                                       
CONECT    2    1    3   10   25                                       
CONECT    3    2    4   26   27                                       
CONECT    4    3    5   28   29                                       
CONECT    5    4    6   30   31                                       
CONECT    6    5    7   11   11                                       
CONECT    7    6    8   32                                            
CONECT    8    7    9   12   33                                       
CONECT    9    8   14   14   17                                       
CONECT   10    2   34   35                                            
CONECT   11    6    6                                                 
CONECT   12    8   13   17   36                                       
CONECT   13   12   20                                                 
CONECT   14    9    9                                                 
CONECT   15    1   37                                                 
CONECT   16    1    1                                                 
CONECT   17    9   12   18                                            
CONECT   18   17   19   20   38                                       
CONECT   19   18   23   24   24                                       
CONECT   20   13   18   21   22                                       
CONECT   21   20   39   40   41                                       
CONECT   22   20   42   43   44                                       
CONECT   23   19   45                                                 
CONECT   24   19   19                                                 
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
