COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.663  -0.553   0.228  1.00  0.00           N  
HETATM    2  C   UNL     1       5.356   0.464  -1.395  1.00  0.00           C  
HETATM    3  C   UNL     1       4.820   1.255  -0.366  1.00  0.00           C  
HETATM    4  C   UNL     1       5.427   2.451   0.047  1.00  0.00           C  
HETATM    5  C   UNL     1       4.863   3.178   1.051  1.00  0.00           C  
HETATM    6  C   UNL     1       3.693   2.753   1.677  1.00  0.00           C  
HETATM    7  C   UNL     1       3.628   0.823   0.272  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.379   2.025  -0.357  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.860   4.037  -0.378  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.814   1.778  -0.861  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.981  -2.901   0.755  1.00  0.00           C  
HETATM   12  C   UNL     1       0.038  -3.736   0.545  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.317  -4.966   0.017  1.00  0.00           C  
HETATM   14  O   UNL     1       0.747   0.549  -1.084  1.00  0.00           O  
HETATM   15  C   UNL     1       0.584  -0.246  -0.182  1.00  0.00           C  
HETATM   16  C   UNL     1       1.775  -0.890   0.479  1.00  0.00           C  
HETATM   17  C   UNL     1       3.041  -0.380  -0.160  1.00  0.00           C  
HETATM   18  C   UNL     1       3.076   1.597   1.303  1.00  0.00           C  
HETATM   19  N   UNL     1       4.750  -0.646  -1.750  1.00  0.00           N  
HETATM   20  C   UNL     1       3.639  -1.075  -1.167  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.860  -1.509   1.321  1.00  0.00           C  
HETATM   22  S   UNL     1      -2.485  -3.669   0.265  1.00  0.00           S  
HETATM   23  C   UNL     1      -1.622  -5.128  -0.202  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.821   0.073  -0.415  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.170   1.371   0.315  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.604   1.124  -0.189  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.086   3.136  -0.210  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.651   3.383   0.294  1.00  0.00           C  
HETATM   29  H   UNL     1       6.261   0.770  -1.898  1.00  0.00           H  
HETATM   30  H   UNL     1       6.334   2.793  -0.429  1.00  0.00           H  
HETATM   31  H   UNL     1       5.330   4.098   1.368  1.00  0.00           H  
HETATM   32  H   UNL     1       3.267   3.349   2.471  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.173   2.165  -1.418  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.655   4.177  -1.439  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.054   5.004   0.085  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.608   1.918  -1.922  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.687   1.136  -0.741  1.00  0.00           H  
HETATM   38  H   UNL     1       1.061  -3.474   0.770  1.00  0.00           H  
HETATM   39  H   UNL     1       0.410  -5.735  -0.202  1.00  0.00           H  
HETATM   40  H   UNL     1       1.778  -0.643   1.541  1.00  0.00           H  
HETATM   41  H   UNL     1       1.717  -1.972   0.358  1.00  0.00           H  
HETATM   42  H   UNL     1       2.170   1.279   1.796  1.00  0.00           H  
HETATM   43  H   UNL     1       3.191  -1.997  -1.506  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.008  -1.465   1.999  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.771  -1.257   1.864  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.079  -6.019  -0.609  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.583   0.294  -1.456  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.671  -0.608  -0.374  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.319   2.051   0.273  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.408   1.150   1.355  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.410   0.157  -0.652  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.810   0.984   0.872  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.291   2.996   0.851  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.947   3.602  -0.689  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.857   3.243   1.355  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.778   4.024   0.174  1.00  0.00           H  
CONECT    1   15   24   21                                            
CONECT    2   19   19    3   29                                       
CONECT    3    2    4    4    7                                       
CONECT    4    3    3    5   30                                       
CONECT    5    4    6    6   31                                       
CONECT    6    5    5   18   32                                       
CONECT    7    3   17   18   18                                       
CONECT    8   25   26   28   33                                       
CONECT    9   28   27   34   35                                       
CONECT   10   26   27   36   37                                       
CONECT   11   12   12   21   22                                       
CONECT   12   13   11   11   38                                       
CONECT   13   12   23   23   39                                       
CONECT   14   15   15                                                 
CONECT   15   16   14   14    1                                       
CONECT   16   17   15   40   41                                       
CONECT   17   20   20    7   16                                       
CONECT   18    7    7    6   42                                       
CONECT   19    2    2   20                                            
CONECT   20   19   17   17   43                                       
CONECT   21    1   11   44   45                                       
CONECT   22   23   11                                                 
CONECT   23   13   13   22   46                                       
CONECT   24    1   25   47   48                                       
CONECT   25   24    8   49   50                                       
CONECT   26    8   10   51   52                                       
CONECT   27   10    9   53   54                                       
CONECT   28    8    9   55   56                                       
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
