COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.033  -2.175  -1.342  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.928  -2.224  -0.369  1.00  0.00           N  
HETATM    3  C   UNL     1      -5.697  -1.634   0.794  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.570  -0.976   1.027  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.634  -0.889   0.096  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.843  -1.496  -1.132  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.301  -2.855  -2.660  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.655  -1.705   1.790  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.355  -0.140   0.369  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.556   1.285   0.096  1.00  0.00           N  
HETATM   11  S   UNL     1      -1.462   2.397   0.651  1.00  0.00           S  
HETATM   12  O   UNL     1      -1.915   3.666   0.199  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.242   2.094   2.022  1.00  0.00           O  
HETATM   14  C   UNL     1       6.515  -2.243   1.706  1.00  0.00           C  
HETATM   15  C   UNL     1       5.061  -1.779   1.454  1.00  0.00           C  
HETATM   16  C   UNL     1       5.195  -1.002   0.154  1.00  0.00           C  
HETATM   17  C   UNL     1       6.455  -1.355  -0.384  1.00  0.00           C  
HETATM   18  O   UNL     1       7.084  -2.264   0.385  1.00  0.00           O  
HETATM   19  O   UNL     1       6.913  -0.896  -1.414  1.00  0.00           O  
HETATM   20  C   UNL     1       4.295  -0.149  -0.379  1.00  0.00           C  
HETATM   21  N   UNL     1       3.114   0.089   0.267  1.00  0.00           N  
HETATM   22  C   UNL     1       2.182   0.973  -0.285  1.00  0.00           C  
HETATM   23  C   UNL     1       2.454   1.610  -1.489  1.00  0.00           C  
HETATM   24  C   UNL     1       1.531   2.482  -2.031  1.00  0.00           C  
HETATM   25  C   UNL     1       0.336   2.721  -1.377  1.00  0.00           C  
HETATM   26  C   UNL     1       0.062   2.088  -0.178  1.00  0.00           C  
HETATM   27  C   UNL     1       0.978   1.211   0.367  1.00  0.00           C  
HETATM   28  H   UNL     1      -3.095  -1.441  -1.909  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.799  -2.158  -3.333  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.357  -3.176  -3.102  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.940  -3.723  -2.498  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.484  -2.183   1.632  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.498  -1.277   2.646  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.072  -0.273   1.413  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.564  -0.525  -0.274  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.331   1.577  -0.410  1.00  0.00           H  
HETATM   37  H   UNL     1       7.041  -1.531   2.341  1.00  0.00           H  
HETATM   38  H   UNL     1       6.530  -3.239   2.148  1.00  0.00           H  
HETATM   39  H   UNL     1       4.396  -2.634   1.329  1.00  0.00           H  
HETATM   40  H   UNL     1       4.714  -1.132   2.260  1.00  0.00           H  
HETATM   41  H   UNL     1       4.508   0.346  -1.315  1.00  0.00           H  
HETATM   42  H   UNL     1       2.922  -0.355   1.107  1.00  0.00           H  
HETATM   43  H   UNL     1       3.387   1.423  -2.000  1.00  0.00           H  
HETATM   44  H   UNL     1       1.742   2.977  -2.967  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.384   3.403  -1.804  1.00  0.00           H  
HETATM   46  H   UNL     1       0.762   0.714   1.301  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3                                            
CONECT    3    2    8    4    4                                       
CONECT    4    3    3    5                                            
CONECT    5    4    9    6    6                                       
CONECT    6    1    5    5   28                                       
CONECT    7    1   29   30   31                                       
CONECT    8    3   32   33                                            
CONECT    9    5   10   34   35                                       
CONECT   10    9   11   36                                            
CONECT   11   10   12   12   26                                       
CONECT   11   13   13                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   18   15   37   38                                       
CONECT   15   14   16   39   40                                       
CONECT   16   15   20   20   17                                       
CONECT   17   16   19   19   18                                       
CONECT   18   14   17                                                 
CONECT   19   17   17                                                 
CONECT   20   16   16   21   41                                       
CONECT   21   20   22   42                                            
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   43                                       
CONECT   24   23   25   25   44                                       
CONECT   25   24   24   26   45                                       
CONECT   26   11   25   27   27                                       
CONECT   27   22   26   26   46                                       
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
