COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.511  -1.554   8.498  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.566  -0.921   7.711  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.733  -0.055   8.288  1.00  0.00           N  
HETATM    4  C   UNL     1       0.192   0.582   7.592  1.00  0.00           C  
HETATM    5  O   UNL     1       1.029   1.457   8.194  1.00  0.00           O  
HETATM    6  C   UNL     1       0.286   0.327   6.204  1.00  0.00           C  
HETATM    7  N   UNL     1       1.044   0.747   5.206  1.00  0.00           N  
HETATM    8  N   UNL     1       0.666   0.155   4.126  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.316  -0.648   4.343  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.624  -0.606   5.627  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.523  -1.203   6.425  1.00  0.00           N  
HETATM   12  C   UNL     1       1.250   0.362   2.870  1.00  0.00           C  
HETATM   13  C   UNL     1       2.309   1.252   2.734  1.00  0.00           C  
HETATM   14  C   UNL     1       2.890   1.459   1.497  1.00  0.00           C  
HETATM   15  C   UNL     1       2.422   0.783   0.388  1.00  0.00           C  
HETATM   16  C   UNL     1       1.359  -0.113   0.514  1.00  0.00           C  
HETATM   17  C   UNL     1       0.777  -0.326   1.764  1.00  0.00           C  
HETATM   18  C   UNL     1       0.856  -0.839  -0.671  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.068  -1.619  -0.559  1.00  0.00           O  
HETATM   20  N   UNL     1       1.424  -0.635  -1.876  1.00  0.00           N  
HETATM   21  C   UNL     1       0.925  -1.354  -3.052  1.00  0.00           C  
HETATM   22  C   UNL     1       1.637  -0.858  -4.284  1.00  0.00           C  
HETATM   23  C   UNL     1       2.655  -1.606  -4.843  1.00  0.00           C  
HETATM   24  C   UNL     1       3.309  -1.151  -5.973  1.00  0.00           C  
HETATM   25  C   UNL     1       2.947   0.053  -6.548  1.00  0.00           C  
HETATM   26  C   UNL     1       1.931   0.806  -5.994  1.00  0.00           C  
HETATM   27  C   UNL     1       1.267   0.349  -4.861  1.00  0.00           C  
HETATM   28  S   UNL     1      -0.029   1.307  -4.152  1.00  0.00           S  
HETATM   29  C   UNL     1      -1.426   0.376  -4.689  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.256  -0.693  -5.560  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.353  -1.420  -5.979  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.618  -1.085  -5.533  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.791  -0.021  -4.666  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.698   0.706  -4.238  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.886   1.865  -3.294  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.275   2.011  -2.990  1.00  0.00           O  
HETATM   37  H   UNL     1      -2.558  -1.364   9.448  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.130  -2.185   8.098  1.00  0.00           H  
HETATM   39  H   UNL     1       1.801   0.952   8.484  1.00  0.00           H  
HETATM   40  H   UNL     1       2.679   1.785   3.597  1.00  0.00           H  
HETATM   41  H   UNL     1       3.712   2.152   1.397  1.00  0.00           H  
HETATM   42  H   UNL     1       2.878   0.947  -0.576  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.044  -1.018   1.867  1.00  0.00           H  
HETATM   44  H   UNL     1       2.162  -0.013  -1.966  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.145  -1.181  -3.156  1.00  0.00           H  
HETATM   46  H   UNL     1       1.111  -2.421  -2.930  1.00  0.00           H  
HETATM   47  H   UNL     1       2.940  -2.547  -4.396  1.00  0.00           H  
HETATM   48  H   UNL     1       4.104  -1.738  -6.408  1.00  0.00           H  
HETATM   49  H   UNL     1       3.460   0.406  -7.430  1.00  0.00           H  
HETATM   50  H   UNL     1       1.650   1.747  -6.443  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.268  -0.955  -5.909  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.222  -2.251  -6.655  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.474  -1.655  -5.862  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.780   0.238  -4.321  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.519   2.779  -3.762  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.331   1.679  -2.375  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.352   2.761  -2.384  1.00  0.00           H  
CONECT    1    2   37   38                                            
CONECT    2    1    3   11   11                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5    6                                       
CONECT    5    4   39                                                 
CONECT    6    4    7    7   10                                       
CONECT    7    6    6    8                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10   10                                            
CONECT   10    6    9    9   11                                       
CONECT   11    2    2   10                                            
CONECT   12    8   13   17   17                                       
CONECT   13   12   14   14   40                                       
CONECT   14   13   13   15   41                                       
CONECT   15   14   16   16   42                                       
CONECT   16   15   15   17   18                                       
CONECT   17   12   12   16   43                                       
CONECT   18   16   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   44                                            
CONECT   21   20   22   45   46                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   47                                       
CONECT   24   23   25   25   48                                       
CONECT   25   24   24   26   49                                       
CONECT   26   25   27   27   50                                       
CONECT   27   22   26   26   28                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   30   34                                       
CONECT   30   29   29   31   51                                       
CONECT   31   30   32   32   52                                       
CONECT   32   31   31   33   53                                       
CONECT   33   32   34   34   54                                       
CONECT   34   29   33   33   35                                       
CONECT   35   34   36   55   56                                       
CONECT   36   35   57                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    5                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
CONECT   55   35                                                      
CONECT   56   35                                                      
CONECT   57   36                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
