COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.704   0.049   2.182  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.776   0.522   1.452  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.586   0.979   0.145  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.311   0.955  -0.419  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.237   0.476   0.323  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.439   0.028   1.628  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.878   0.447  -0.271  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.762  -0.021   0.421  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.620   0.023  -0.260  1.00  0.00           C  
HETATM   10  S   UNL     1      -0.906   0.680  -1.866  1.00  0.00           S  
HETATM   11  C   UNL     1      -2.621   0.864  -1.524  1.00  0.00           C  
HETATM   12  C   UNL     1       0.720  -0.424   0.266  1.00  0.00           C  
HETATM   13  C   UNL     1       1.643  -0.949  -0.855  1.00  0.00           C  
HETATM   14  C   UNL     1       1.429  -2.407  -1.102  1.00  0.00           C  
HETATM   15  N   UNL     1       0.784  -3.220  -0.255  1.00  0.00           N  
HETATM   16  C   UNL     1       0.225  -2.725   0.911  1.00  0.00           C  
HETATM   17  N   UNL     1       0.589  -1.460   1.300  1.00  0.00           N  
HETATM   18  N   UNL     1      -0.623  -3.427   1.607  1.00  0.00           N  
HETATM   19  C   UNL     1       1.544   0.752   0.844  1.00  0.00           C  
HETATM   20  C   UNL     1       0.668  -4.648  -0.565  1.00  0.00           C  
HETATM   21  O   UNL     1       1.864  -2.882  -2.129  1.00  0.00           O  
HETATM   22  C   UNL     1      -7.698   1.470  -0.612  1.00  0.00           C  
HETATM   23  N   UNL     1      -8.579   1.860  -1.213  1.00  0.00           N  
HETATM   24  C   UNL     1       3.061  -0.701  -0.310  1.00  0.00           C  
HETATM   25  N   UNL     1       2.954   0.319   0.748  1.00  0.00           N  
HETATM   26  C   UNL     1       5.986   2.284   0.097  1.00  0.00           C  
HETATM   27  C   UNL     1       5.166   1.197   0.358  1.00  0.00           C  
HETATM   28  C   UNL     1       3.791   1.401   0.486  1.00  0.00           C  
HETATM   29  C   UNL     1       4.036   3.666   0.119  1.00  0.00           C  
HETATM   30  C   UNL     1       5.403   3.539  -0.023  1.00  0.00           C  
HETATM   31  C   UNL     1       7.110  -0.173   0.343  1.00  0.00           C  
HETATM   32  O   UNL     1       5.693  -0.050   0.488  1.00  0.00           O  
HETATM   33  N   UNL     1       3.277   2.613   0.358  1.00  0.00           N  
HETATM   34  H   UNL     1      -5.855  -0.303   3.191  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.762   0.540   1.891  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.159   1.306  -1.429  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.605  -0.343   2.205  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.820  -0.391   1.434  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.355   1.257  -2.213  1.00  0.00           H  
HETATM   40  H   UNL     1       1.485  -0.378  -1.770  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.874  -4.316   1.311  1.00  0.00           H  
HETATM   42  H   UNL     1       1.384   1.654   0.253  1.00  0.00           H  
HETATM   43  H   UNL     1       1.273   0.929   1.885  1.00  0.00           H  
HETATM   44  H   UNL     1       1.520  -5.181  -0.144  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.254  -5.039  -0.136  1.00  0.00           H  
HETATM   46  H   UNL     1       0.653  -4.784  -1.646  1.00  0.00           H  
HETATM   47  H   UNL     1       3.465  -1.624   0.105  1.00  0.00           H  
HETATM   48  H   UNL     1       3.707  -0.341  -1.111  1.00  0.00           H  
HETATM   49  H   UNL     1       7.053   2.159  -0.007  1.00  0.00           H  
HETATM   50  H   UNL     1       3.579   4.640   0.022  1.00  0.00           H  
HETATM   51  H   UNL     1       6.014   4.408  -0.219  1.00  0.00           H  
HETATM   52  H   UNL     1       7.404   0.167  -0.649  1.00  0.00           H  
HETATM   53  H   UNL     1       7.607   0.435   1.099  1.00  0.00           H  
HETATM   54  H   UNL     1       7.398  -1.217   0.470  1.00  0.00           H  
HETATM   55  H   UNL     1       0.758  -1.262   2.234  1.00  0.00           H  
CONECT    1    6    6    2   34                                       
CONECT    2    1    3    3   35                                       
CONECT    3    2    2    4   22                                       
CONECT    4    5    5    3   36                                       
CONECT    5    6    7    4    4                                       
CONECT    6    1    1    5   37                                       
CONECT    7   11   11    5    8                                       
CONECT    8    7    9    9   38                                       
CONECT    9   10    8    8   12                                       
CONECT   10   11    9                                                 
CONECT   11   10    7    7   39                                       
CONECT   12    9   19   13   17                                       
CONECT   13   12   24   14   40                                       
CONECT   14   13   21   21   15                                       
CONECT   15   14   16   20                                            
CONECT   16   17   15   18   18                                       
CONECT   17   12   16   55                                            
CONECT   18   16   16   41                                            
CONECT   19   12   25   42   43                                       
CONECT   20   15   44   45   46                                       
CONECT   21   14   14                                                 
CONECT   22    3   23   23   23                                       
CONECT   23   22   22   22                                            
CONECT   24   25   13   47   48                                       
CONECT   25   19   28   24                                            
CONECT   26   30   30   27   49                                       
CONECT   27   28   28   26   32                                       
CONECT   28   33   25   27   27                                       
CONECT   29   33   33   30   50                                       
CONECT   30   29   26   26   51                                       
CONECT   31   32   52   53   54                                       
CONECT   32   27   31                                                 
CONECT   33   29   29   28                                            
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   17                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
