COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -0.909   0.139  -7.343  1.00  0.00           C  
HETATM    2  CA  UNL     1      -0.418  -0.538  -6.090  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.609   0.397  -4.895  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.111  -0.291  -3.623  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.303   0.644  -2.428  1.00  0.00           C  
HETATM    6  C   UNL     1       0.187  -0.033  -1.175  1.00  0.00           C  
HETATM    7  N   UNL     1       0.117   0.606   0.009  1.00  0.00           N  
HETATM    8  C   UNL     1       0.595  -0.053   1.227  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.194   0.444   2.410  1.00  0.00           C  
HETATM   10  N   UNL     1       1.007  -0.862  -6.235  1.00  0.00           N  
HETATM   11  O   UNL     1       0.645  -1.155  -1.232  1.00  0.00           O  
HETATM   12  C   UNL     1       2.077   0.265   1.432  1.00  0.00           C  
HETATM   13  S   UNL     1       3.027  -0.334   0.008  1.00  0.00           S  
HETATM   14  O   UNL     1      -1.066   1.266   2.252  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.188   0.000  -7.725  1.00  0.00           O  
HETATM   16  OXT UNL     1      -0.151   0.809  -8.004  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.690   0.455   4.779  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.899  -0.420   4.980  1.00  0.00           C  
HETATM   19  C   UNL     1       0.186   0.410   6.032  1.00  0.00           C  
HETATM   20  C   UNL     1       0.635  -1.029   6.289  1.00  0.00           C  
HETATM   21  C   UNL     1       1.414   1.299   5.828  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.100  -1.353   4.239  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.754  -0.164   5.983  1.00  0.00           O  
HETATM   24  O   UNL     1       0.070  -0.024   3.639  1.00  0.00           O  
HETATM   25  HA  UNL     1      -0.984  -1.455  -5.928  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.667   0.637  -4.788  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.043   1.314  -5.057  1.00  0.00           H  
HETATM   28  H   UNL     1       0.946  -0.531  -3.730  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.678  -1.208  -3.461  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.360   0.885  -2.320  1.00  0.00           H  
HETATM   31  H   UNL     1       0.263   1.561  -2.590  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.248   1.503   0.054  1.00  0.00           H  
HETATM   33  H   UNL     1       0.465  -1.131   1.131  1.00  0.00           H  
HETATM   34  H1  UNL     1       1.489   0.011  -6.382  1.00  0.00           H  
HETATM   35  H2  UNL     1       1.316  -1.217  -5.342  1.00  0.00           H  
HETATM   36  H   UNL     1       2.207   1.343   1.528  1.00  0.00           H  
HETATM   37  H   UNL     1       2.432  -0.225   2.338  1.00  0.00           H  
HETATM   38  H   UNL     1       4.265   0.036   0.381  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.503   0.435  -8.529  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.010   1.481   4.596  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.385   0.770   6.888  1.00  0.00           H  
HETATM   42  H   UNL     1       1.260  -1.061   7.182  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.239  -1.662   6.434  1.00  0.00           H  
HETATM   44  H   UNL     1       1.206  -1.389   5.433  1.00  0.00           H  
HETATM   45  H   UNL     1       1.985   0.939   4.972  1.00  0.00           H  
HETATM   46  H   UNL     1       1.094   2.325   5.645  1.00  0.00           H  
HETATM   47  H   UNL     1       2.038   1.267   6.721  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.531  -0.726   6.112  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   24                                       
CONECT   10    2   34   35                                            
CONECT   11    6    6                                                 
CONECT   12    8   13   36   37                                       
CONECT   13   12   38                                                 
CONECT   14    9    9                                                 
CONECT   15    1   39                                                 
CONECT   16    1    1                                                 
CONECT   17   18   19   24   40                                       
CONECT   18   17   22   22   23                                       
CONECT   19   17   20   21   41                                       
CONECT   20   19   42   43   44                                       
CONECT   21   19   45   46   47                                       
CONECT   22   18   18                                                 
CONECT   23   18   48                                                 
CONECT   24    9   17                                                 
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   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
