COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.811   0.582  -0.047  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.205  -0.319   0.809  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.901  -0.716   0.585  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.199  -0.209  -0.502  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.832  -1.836  -0.300  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.238  -1.568   0.170  1.00  0.00           C  
HETATM    7  O   UNL     1       8.121   3.111  -0.968  1.00  0.00           O  
HETATM    8  C   UNL     1       7.196   2.445  -0.538  1.00  0.00           C  
HETATM    9  C   UNL     1       6.474   2.877   0.601  1.00  0.00           C  
HETATM   10  C   UNL     1       6.839   4.165   1.293  1.00  0.00           C  
HETATM   11  C   UNL     1       5.453   2.120   1.057  1.00  0.00           C  
HETATM   12  N   UNL     1       5.135   0.954   0.416  1.00  0.00           N  
HETATM   13  C   UNL     1       4.027   0.133   0.911  1.00  0.00           C  
HETATM   14  C   UNL     1       2.898   0.089  -0.137  1.00  0.00           C  
HETATM   15  C   UNL     1       2.730  -1.418  -0.450  1.00  0.00           C  
HETATM   16  N   UNL     1       1.314  -1.772  -0.573  1.00  0.00           N  
HETATM   17  N   UNL     1       0.826  -2.669  -1.356  1.00  0.00           N  
HETATM   18  N   UNL     1      -0.452  -2.728  -1.222  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.883  -0.614  -0.735  1.00  0.00           N  
HETATM   20  S   UNL     1      -8.474   1.087   0.243  1.00  0.00           S  
HETATM   21  O   UNL     1      -9.078   0.055   1.012  1.00  0.00           O  
HETATM   22  N   UNL     1      -8.418   2.424   1.218  1.00  0.00           N  
HETATM   23  O   UNL     1      -8.985   1.523  -1.009  1.00  0.00           O  
HETATM   24  C   UNL     1      -6.114   1.093  -1.126  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.812   0.696  -1.359  1.00  0.00           C  
HETATM   26  C   UNL     1       0.295  -1.217   0.123  1.00  0.00           C  
HETATM   27  C   UNL     1       3.361  -2.082   0.801  1.00  0.00           C  
HETATM   28  C   UNL     1       3.847  -3.495   0.473  1.00  0.00           C  
HETATM   29  O   UNL     1       4.316  -4.126   1.667  1.00  0.00           O  
HETATM   30  O   UNL     1       4.473  -1.218   1.116  1.00  0.00           O  
HETATM   31  C   UNL     1       5.829   0.554  -0.665  1.00  0.00           C  
HETATM   32  N   UNL     1       6.847   1.292  -1.144  1.00  0.00           N  
HETATM   33  O   UNL     1       5.529  -0.485  -1.219  1.00  0.00           O  
HETATM   34  H   UNL     1      -6.751  -0.713   1.653  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.427  -1.420   1.253  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.803  -2.501   0.177  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.212  -1.153   1.178  1.00  0.00           H  
HETATM   38  H   UNL     1       7.681   4.628   0.779  1.00  0.00           H  
HETATM   39  H   UNL     1       5.985   4.842   1.274  1.00  0.00           H  
HETATM   40  H   UNL     1       7.114   3.956   2.327  1.00  0.00           H  
HETATM   41  H   UNL     1       4.891   2.434   1.924  1.00  0.00           H  
HETATM   42  H   UNL     1       3.648   0.546   1.846  1.00  0.00           H  
HETATM   43  H   UNL     1       1.977   0.497   0.277  1.00  0.00           H  
HETATM   44  H   UNL     1       3.189   0.635  -1.034  1.00  0.00           H  
HETATM   45  H   UNL     1       3.277  -1.691  -1.353  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.395  -0.262  -1.496  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.113   3.099   1.156  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.691   2.533   1.850  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.589   1.801  -1.789  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.269   1.092  -2.205  1.00  0.00           H  
HETATM   51  H   UNL     1       0.366  -0.434   0.864  1.00  0.00           H  
HETATM   52  H   UNL     1       2.647  -2.104   1.624  1.00  0.00           H  
HETATM   53  H   UNL     1       3.024  -4.075   0.055  1.00  0.00           H  
HETATM   54  H   UNL     1       4.659  -3.441  -0.252  1.00  0.00           H  
HETATM   55  H   UNL     1       4.640  -5.027   1.534  1.00  0.00           H  
HETATM   56  H   UNL     1       7.335   0.992  -1.927  1.00  0.00           H  
CONECT    1   24   24    2   20                                       
CONECT    2    3    3    1   34                                       
CONECT    3    4    2    2   35                                       
CONECT    4   19   25   25    3                                       
CONECT    5   26   26   18    6                                       
CONECT    6    5   19   36   37                                       
CONECT    7    8    8                                                 
CONECT    8    7    7   32    9                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   38   39   40                                       
CONECT   11    9    9   12   41                                       
CONECT   12   31   11   13                                            
CONECT   13   30   12   14   42                                       
CONECT   14   13   15   43   44                                       
CONECT   15   27   14   16   45                                       
CONECT   16   15   26   17                                            
CONECT   17   16   18   18                                            
CONECT   18   17   17    5                                            
CONECT   19    6    4   46                                            
CONECT   20    1   22   21   21                                       
CONECT   20   23   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   47   48                                            
CONECT   23   20   20                                                 
CONECT   24   25    1    1   49                                       
CONECT   25    4    4   24   50                                       
CONECT   26   16    5    5   51                                       
CONECT   27   30   28   15   52                                       
CONECT   28   29   27   53   54                                       
CONECT   29   28   55                                                 
CONECT   30   13   27                                                 
CONECT   31   32   33   33   12                                       
CONECT   32    8   31   56                                            
CONECT   33   31   31                                                 
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   19                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   32                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
