COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.319   0.215  -0.437  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.916   0.635  -0.401  1.00  0.00           N  
HETATM    3  S   UNL     1      -1.827   3.083  -0.886  1.00  0.00           S  
HETATM    4  C   UNL     1      -2.417  -1.185  -1.047  1.00  0.00           C  
HETATM    5  N   UNL     1       0.696   2.316  -0.564  1.00  0.00           N  
HETATM    6  O   UNL     1      -1.946  -1.153  -2.396  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.879  -1.642  -1.026  1.00  0.00           C  
HETATM    8  N   UNL     1       1.704   1.372  -0.327  1.00  0.00           N  
HETATM    9  O   UNL     1      -3.971  -2.977  -1.526  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.395  -1.599   0.416  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.779  -1.953   0.439  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.220  -0.182   0.970  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.843   0.192   0.892  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.678  -0.145   2.429  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.625   1.199   2.911  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.595   1.929  -0.597  1.00  0.00           C  
HETATM   17  O   UNL     1       6.979  -2.030   0.653  1.00  0.00           O  
HETATM   18  C   UNL     1       2.947   1.745  -0.295  1.00  0.00           C  
HETATM   19  C   UNL     1       4.007   0.751  -0.046  1.00  0.00           C  
HETATM   20  C   UNL     1       3.677  -0.592   0.151  1.00  0.00           C  
HETATM   21  C   UNL     1       4.672  -1.517   0.384  1.00  0.00           C  
HETATM   22  C   UNL     1       6.001  -1.115   0.423  1.00  0.00           C  
HETATM   23  C   UNL     1       6.334   0.219   0.228  1.00  0.00           C  
HETATM   24  C   UNL     1       5.346   1.150  -0.011  1.00  0.00           C  
HETATM   25  C   UNL     1       8.324  -1.549   0.680  1.00  0.00           C  
HETATM   26  H   UNL     1      -2.893   0.917  -1.042  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.218  -0.018  -0.237  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.811  -1.880  -0.466  1.00  0.00           H  
HETATM   29  H   UNL     1       0.927   3.247  -0.704  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.026  -0.867  -2.484  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.478  -0.976  -1.648  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.654  -3.079  -2.434  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.828  -2.301   1.027  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.964  -2.838   0.096  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.820   0.514   0.383  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.701  -0.516   2.499  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.022  -0.773   3.032  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.902   1.298   3.832  1.00  0.00           H  
HETATM   39  H   UNL     1       3.204   2.782  -0.452  1.00  0.00           H  
HETATM   40  H   UNL     1       2.644  -0.905   0.122  1.00  0.00           H  
HETATM   41  H   UNL     1       4.418  -2.555   0.537  1.00  0.00           H  
HETATM   42  H   UNL     1       7.369   0.527   0.260  1.00  0.00           H  
HETATM   43  H   UNL     1       5.606   2.186  -0.168  1.00  0.00           H  
HETATM   44  H   UNL     1       9.003  -2.380   0.873  1.00  0.00           H  
HETATM   45  H   UNL     1       8.567  -1.096  -0.281  1.00  0.00           H  
HETATM   46  H   UNL     1       8.428  -0.805   1.470  1.00  0.00           H  
CONECT    1    4   13    2   26                                       
CONECT    2    1   16   27                                            
CONECT    3   16   16                                                 
CONECT    4    1    7    6   28                                       
CONECT    5   16    8   29                                            
CONECT    6    4   30                                                 
CONECT    7    4    9   10   31                                       
CONECT    8    5   18   18                                            
CONECT    9    7   32                                                 
CONECT   10    7   11   12   33                                       
CONECT   11   10   34                                                 
CONECT   12   10   14   13   35                                       
CONECT   13    1   12                                                 
CONECT   14   12   15   36   37                                       
CONECT   15   14   38                                                 
CONECT   16    2    3    3    5                                       
CONECT   17   22   25                                                 
CONECT   18    8    8   19   39                                       
CONECT   19   18   24   24   20                                       
CONECT   20   19   21   21   40                                       
CONECT   21   20   20   22   41                                       
CONECT   22   17   21   23   23                                       
CONECT   23   22   22   24   42                                       
CONECT   24   19   19   23   43                                       
CONECT   25   17   44   45   46                                       
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
