COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   1       5.030   3.360  -0.654  1.00  0.00           N  
HETATM    2  C   UNK A   1       3.852   4.147  -0.266  1.00  0.00           C  
HETATM    3  C   UNK A   1       4.213   5.060   0.877  1.00  0.00           C  
HETATM    4  O   UNK A   1       5.183   4.823   1.557  1.00  0.00           O  
HETATM    5  C   UNK A   1       2.729   3.203   0.170  1.00  0.00           C  
HETATM    6  C   UNK A   1       2.278   2.361  -1.025  1.00  0.00           C  
HETATM    7  C   UNK A   1       1.172   1.432  -0.596  1.00  0.00           C  
HETATM    8  O   UNK A   1       0.783   1.442   0.553  1.00  0.00           O  
HETATM    9  O   UNK A   1       3.456   6.137   1.141  1.00  0.00           O  
HETATM   10  N   UNK A   1       0.615   0.590  -1.489  1.00  0.00           N  
HETATM   11  C   UNK A   1      -0.460  -0.314  -1.071  1.00  0.00           C  
HETATM   12  C   UNK A   1       0.050  -1.236   0.038  1.00  0.00           C  
HETATM   13  S   UNK A   1       1.451  -2.208  -0.581  1.00  0.00           S  
HETATM   14  C   UNK A   1       1.909  -3.221   0.852  1.00  0.00           C  
HETATM   15  C   UNK A   1       3.079  -4.100   0.493  1.00  0.00           C  
HETATM   16  C   UNK A   1       4.370  -3.648   0.692  1.00  0.00           C  
HETATM   17  C   UNK A   1       2.862  -5.361  -0.031  1.00  0.00           C  
HETATM   18  C   UNK A   1       5.444  -4.454   0.362  1.00  0.00           C  
HETATM   19  C   UNK A   1       3.935  -6.167  -0.361  1.00  0.00           C  
HETATM   20  C   UNK A   1       5.226  -5.713  -0.167  1.00  0.00           C  
HETATM   21  C   UNK A   1      -1.624   0.494  -0.557  1.00  0.00           C  
HETATM   22  O   UNK A   1      -1.455   1.640  -0.198  1.00  0.00           O  
HETATM   23  N   UNK A   2      -2.852  -0.057  -0.497  1.00  0.00           N  
HETATM   24  C   UNK A   2      -3.984   0.728   0.003  1.00  0.00           C  
HETATM   25  C   UNK A   2      -5.039  -0.201   0.545  1.00  0.00           C  
HETATM   26  C   UNK A   2      -5.718   0.126   1.704  1.00  0.00           C  
HETATM   27  C   UNK A   2      -6.687  -0.726   2.202  1.00  0.00           C  
HETATM   28  C   UNK A   2      -6.976  -1.905   1.541  1.00  0.00           C  
HETATM   29  C   UNK A   2      -6.297  -2.232   0.381  1.00  0.00           C  
HETATM   30  C   UNK A   2      -5.332  -1.378  -0.119  1.00  0.00           C  
HETATM   31  C   UNK A   2      -4.564   1.545  -1.122  1.00  0.00           C  
HETATM   32  O   UNK A   2      -4.082   1.478  -2.228  1.00  0.00           O  
HETATM   33  O   UNK A   2      -5.616   2.347  -0.896  1.00  0.00           O  
HETATM   34  H   UNK A   1       5.360   2.799   0.117  1.00  0.00           H  
HETATM   35  H   UNK A   1       4.832   2.786  -1.460  1.00  0.00           H  
HETATM   36  H   UNK A   1       3.517   4.742  -1.115  1.00  0.00           H  
HETATM   37  H   UNK A   1       3.093   2.546   0.960  1.00  0.00           H  
HETATM   38  H   UNK A   1       1.888   3.787   0.542  1.00  0.00           H  
HETATM   39  H   UNK A   1       1.914   3.018  -1.816  1.00  0.00           H  
HETATM   40  H   UNK A   1       3.120   1.777  -1.397  1.00  0.00           H  
HETATM   41  H   UNK A   1       3.727   6.693   1.884  1.00  0.00           H  
HETATM   42  H   UNK A   1       0.926   0.582  -2.408  1.00  0.00           H  
HETATM   43  H   UNK A   1      -0.782  -0.913  -1.923  1.00  0.00           H  
HETATM   44  H   UNK A   1       0.372  -0.636   0.889  1.00  0.00           H  
HETATM   45  H   UNK A   1      -0.750  -1.908   0.348  1.00  0.00           H  
HETATM   46  H   UNK A   1       2.184  -2.572   1.684  1.00  0.00           H  
HETATM   47  H   UNK A   1       1.063  -3.844   1.142  1.00  0.00           H  
HETATM   48  H   UNK A   1       4.540  -2.664   1.105  1.00  0.00           H  
HETATM   49  H   UNK A   1       1.853  -5.716  -0.182  1.00  0.00           H  
HETATM   50  H   UNK A   1       6.452  -4.100   0.516  1.00  0.00           H  
HETATM   51  H   UNK A   1       3.765  -7.152  -0.769  1.00  0.00           H  
HETATM   52  H   UNK A   1       6.065  -6.342  -0.425  1.00  0.00           H  
HETATM   53  H   UNK A   2      -2.987  -0.974  -0.784  1.00  0.00           H  
HETATM   54  H   UNK A   2      -3.642   1.393   0.796  1.00  0.00           H  
HETATM   55  H   UNK A   2      -5.492   1.047   2.221  1.00  0.00           H  
HETATM   56  H   UNK A   2      -7.217  -0.471   3.108  1.00  0.00           H  
HETATM   57  H   UNK A   2      -7.732  -2.571   1.930  1.00  0.00           H  
HETATM   58  H   UNK A   2      -6.523  -3.153  -0.135  1.00  0.00           H  
HETATM   59  H   UNK A   2      -4.805  -1.631  -1.026  1.00  0.00           H  
HETATM   60  H   UNK A   2      -5.954   2.851  -1.649  1.00  0.00           H  
CONECT    1    2   34   35                                            
CONECT    2    1    3    5   36                                       
CONECT    3    2    4    4    9                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   37   38                                       
CONECT    6    5    7   39   40                                       
CONECT    7    6    8    8   10                                       
CONECT    8    7    7                                                 
CONECT    9    3   41                                                 
CONECT   10   11   42    7                                            
CONECT   11   10   12   21   43                                       
CONECT   12   11   13   44   45                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   46   47                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15   18   48                                       
CONECT   17   15   19   19   49                                       
CONECT   18   16   20   20   50                                       
CONECT   19   17   17   20   51                                       
CONECT   20   18   18   19   52                                       
CONECT   21   11   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   24   53   21                                            
CONECT   24   23   25   31   54                                       
CONECT   25   24   26   30   30                                       
CONECT   26   25   27   27   55                                       
CONECT   27   26   26   28   56                                       
CONECT   28   27   29   29   57                                       
CONECT   29   28   28   30   58                                       
CONECT   30   25   25   29   59                                       
CONECT   31   24   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   60                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   33                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
