COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.810   0.699   1.125  1.00  0.00           N  
HETATM    2  C   UNL     1      -6.091  -0.281   1.643  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.842  -0.503   1.291  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.247   0.264   0.383  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.970   1.320  -0.198  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.300   1.518   0.211  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.061   2.541  -0.327  1.00  0.00           N  
HETATM    8  N   UNL     1      -4.142   1.935  -1.076  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.985   1.338  -1.071  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.000   0.301  -0.187  1.00  0.00           N  
HETATM   11  O   UNL     1      -0.125  -3.461  -0.657  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.560  -2.948  -0.116  1.00  0.00           O  
HETATM   13  C   UNL     1       7.589   2.036  -0.137  1.00  0.00           C  
HETATM   14  C   UNL     1       7.595   1.335   1.054  1.00  0.00           C  
HETATM   15  C   UNL     1       6.678   1.713  -1.125  1.00  0.00           C  
HETATM   16  C   UNL     1       6.690   0.309   1.257  1.00  0.00           C  
HETATM   17  C   UNL     1       5.773   0.688  -0.922  1.00  0.00           C  
HETATM   18  C   UNL     1       4.794  -1.133   0.489  1.00  0.00           C  
HETATM   19  C   UNL     1       1.513  -0.619  -1.212  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.629   0.018  -0.227  1.00  0.00           O  
HETATM   21  S   UNL     1       3.283  -0.468   1.240  1.00  0.00           S  
HETATM   22  S   UNL     1       2.453   0.624  -0.283  1.00  0.00           S  
HETATM   23  C   UNL     1       5.780  -0.014   0.268  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.482  -2.163  -1.138  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.960  -1.852  -0.810  1.00  0.00           C  
HETATM   26  C   UNL     1       0.308  -1.070  -0.385  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.888  -0.608   0.102  1.00  0.00           C  
HETATM   28  H   UNL     1      -6.545  -0.923   2.383  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.978   2.667  -0.037  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.678   3.132  -0.993  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.139   1.623  -1.679  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.633  -4.181  -1.053  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.576  -3.772  -0.622  1.00  0.00           H  
HETATM   34  H   UNL     1       8.293   2.840  -0.293  1.00  0.00           H  
HETATM   35  H   UNL     1       8.307   1.587   1.826  1.00  0.00           H  
HETATM   36  H   UNL     1       6.673   2.262  -2.055  1.00  0.00           H  
HETATM   37  H   UNL     1       6.695  -0.239   2.187  1.00  0.00           H  
HETATM   38  H   UNL     1       5.062   0.435  -1.694  1.00  0.00           H  
HETATM   39  H   UNL     1       5.233  -1.878   1.153  1.00  0.00           H  
HETATM   40  H   UNL     1       4.551  -1.596  -0.467  1.00  0.00           H  
HETATM   41  H   UNL     1       1.169  -0.187  -2.151  1.00  0.00           H  
HETATM   42  H   UNL     1       2.153  -1.477  -1.419  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.306  -2.094  -2.212  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.514  -1.629  -1.722  1.00  0.00           H  
HETATM   45  H   UNL     1       0.632  -1.436   0.589  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.903  -0.903   1.151  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   28                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   29   30                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   31                                       
CONECT   10    4    9   27                                            
CONECT   11   24   32                                                 
CONECT   12   25   33                                                 
CONECT   13   14   14   15   34                                       
CONECT   14   13   13   16   35                                       
CONECT   15   13   17   17   36                                       
CONECT   16   14   23   23   37                                       
CONECT   17   15   15   23   38                                       
CONECT   18   21   23   39   40                                       
CONECT   19   22   26   41   42                                       
CONECT   20   26   27                                                 
CONECT   21   18   22                                                 
CONECT   22   19   21                                                 
CONECT   23   16   16   17   18                                       
CONECT   24   11   25   26   43                                       
CONECT   25   12   24   27   44                                       
CONECT   26   19   20   24   45                                       
CONECT   27   10   20   25   46                                       
CONECT   28    2                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
