COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       4.230   2.980   0.622  1.00  0.00           C  
HETATM    2  C   UNL     1       4.435   1.557   1.143  1.00  0.00           C  
HETATM    3  N   UNL     1       4.127   0.593   0.079  1.00  0.00           N  
HETATM    4  C   UNL     1       5.066   0.856  -1.019  1.00  0.00           C  
HETATM    5  C   UNL     1       4.861   2.280  -1.540  1.00  0.00           C  
HETATM    6  N   UNL     1       5.169   3.243  -0.476  1.00  0.00           N  
HETATM    7  C   UNL     1       4.839   4.574  -1.004  1.00  0.00           C  
HETATM    8  N   UNL     1       4.434  -0.644   0.570  1.00  0.00           N  
HETATM    9  C   UNL     1       3.497  -1.612   0.591  1.00  0.00           C  
HETATM   10  N   UNL     1       2.288  -1.392   0.037  1.00  0.00           N  
HETATM   11  C   UNL     1       1.363  -2.429  -0.049  1.00  0.00           C  
HETATM   12  C   UNL     1       1.798  -3.749  -0.122  1.00  0.00           C  
HETATM   13  C   UNL     1       0.884  -4.778  -0.207  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.476  -4.512  -0.221  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.933  -3.203  -0.148  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.009  -2.147  -0.056  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.305  -2.637  -0.143  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.180  -1.179  -0.049  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.747  -0.870   0.002  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.584  -2.917  -0.189  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.327  -1.734  -0.130  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.476  -0.670  -0.045  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.855   0.745   0.036  1.00  0.00           C  
HETATM   24  S   UNL     1      -3.149   2.064   1.013  1.00  0.00           S  
HETATM   25  C   UNL     1      -4.205   3.333   0.476  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.992   2.706  -0.372  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.852   1.428  -0.625  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.762   0.725  -1.600  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.217   4.785   0.879  1.00  0.00           C  
HETATM   30  O   UNL     1       3.741  -2.683   1.112  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.255   0.241   0.083  1.00  0.00           O  
HETATM   32  H   UNL     1       4.408   3.691   1.429  1.00  0.00           H  
HETATM   33  H   UNL     1       3.208   3.091   0.260  1.00  0.00           H  
HETATM   34  H   UNL     1       3.774   1.383   1.992  1.00  0.00           H  
HETATM   35  H   UNL     1       5.471   1.431   1.458  1.00  0.00           H  
HETATM   36  H   UNL     1       4.888   0.146  -1.826  1.00  0.00           H  
HETATM   37  H   UNL     1       6.088   0.746  -0.657  1.00  0.00           H  
HETATM   38  H   UNL     1       3.826   2.405  -1.855  1.00  0.00           H  
HETATM   39  H   UNL     1       5.522   2.453  -2.389  1.00  0.00           H  
HETATM   40  H   UNL     1       3.781   4.609  -1.265  1.00  0.00           H  
HETATM   41  H   UNL     1       5.051   5.328  -0.246  1.00  0.00           H  
HETATM   42  H   UNL     1       5.439   4.772  -1.892  1.00  0.00           H  
HETATM   43  H   UNL     1       5.327  -0.826   0.902  1.00  0.00           H  
HETATM   44  H   UNL     1       2.063  -0.512  -0.303  1.00  0.00           H  
HETATM   45  H   UNL     1       2.856  -3.968  -0.113  1.00  0.00           H  
HETATM   46  H   UNL     1       1.230  -5.799  -0.264  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.183  -5.326  -0.288  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.295  -1.678  -0.148  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.333   0.779  -2.600  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.871  -0.319  -1.306  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.739   1.208  -1.597  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.569   5.353   0.211  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.234   5.172   0.814  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.857   4.881   1.903  1.00  0.00           H  
CONECT    1    2    6   32   33                                       
CONECT    2    1    3   34   35                                       
CONECT    3    2    4    8                                            
CONECT    4    3    5   36   37                                       
CONECT    5    4    6   38   39                                       
CONECT    6    1    5    7                                            
CONECT    7    6   40   41   42                                       
CONECT    8    3    9   43                                            
CONECT    9    8   10   30   30                                       
CONECT   10    9   11   44                                            
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   45                                       
CONECT   13   12   14   14   46                                       
CONECT   14   13   13   15   47                                       
CONECT   15   14   16   16   17                                       
CONECT   16   11   15   15   19                                       
CONECT   17   15   18   20   20                                       
CONECT   18   17   19   22   22                                       
CONECT   19   16   18   31   31                                       
CONECT   20   17   17   21                                            
CONECT   21   20   22   48                                            
CONECT   22   18   18   21   23                                       
CONECT   23   22   24   27   27                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   26   29                                       
CONECT   26   25   25   27                                            
CONECT   27   23   23   26   28                                       
CONECT   28   27   49   50   51                                       
CONECT   29   25   52   53   54                                       
CONECT   30    9    9                                                 
CONECT   31   19   19                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   21                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
