COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.052   2.771  -0.152  1.00  0.00           O  
HETATM    2  C   UNL     1       7.054   2.102  -0.284  1.00  0.00           C  
HETATM    3  N   UNL     1       8.176   2.659  -0.781  1.00  0.00           N  
HETATM    4  C   UNL     1       8.155   4.042  -1.265  1.00  0.00           C  
HETATM    5  C   UNL     1       7.048   0.648   0.113  1.00  0.00           C  
HETATM    6  C   UNL     1       7.487   0.516   1.573  1.00  0.00           C  
HETATM    7  C   UNL     1       7.574  -0.965   1.947  1.00  0.00           C  
HETATM    8  C   UNL     1       8.859   1.169   1.753  1.00  0.00           C  
HETATM    9  N   UNL     1       5.695   0.106  -0.040  1.00  0.00           N  
HETATM   10  C   UNL     1       5.517  -1.215  -0.241  1.00  0.00           C  
HETATM   11  O   UNL     1       6.480  -1.957  -0.295  1.00  0.00           O  
HETATM   12  C   UNL     1       4.164  -1.757  -0.394  1.00  0.00           C  
HETATM   13  O   UNL     1       3.017  -1.046  -0.356  1.00  0.00           O  
HETATM   14  C   UNL     1       1.974  -1.875  -0.533  1.00  0.00           C  
HETATM   15  C   UNL     1       2.447  -3.146  -0.690  1.00  0.00           C  
HETATM   16  C   UNL     1       3.842  -3.079  -0.609  1.00  0.00           C  
HETATM   17  C   UNL     1       0.552  -1.477  -0.555  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.443  -2.438  -0.743  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.769  -2.059  -0.762  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.115  -0.730  -0.595  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.134   0.228  -0.409  1.00  0.00           C  
HETATM   22  C   UNL     1       0.196  -0.137  -0.382  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.566  -0.323  -0.617  1.00  0.00           C  
HETATM   24  S   UNL     1      -4.238  -0.396   1.062  1.00  0.00           S  
HETATM   25  C   UNL     1      -5.896   0.113   0.749  1.00  0.00           C  
HETATM   26  N   UNL     1      -6.774   0.203   1.786  1.00  0.00           N  
HETATM   27  C   UNL     1      -8.045   0.592   1.551  1.00  0.00           C  
HETATM   28  O   UNL     1      -8.847   0.679   2.467  1.00  0.00           O  
HETATM   29  C   UNL     1      -8.429   0.896   0.232  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.758   1.350  -0.329  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.661   1.092  -1.848  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.138   1.163  -2.092  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.508   0.789  -0.768  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.262   0.405  -0.482  1.00  0.00           N  
HETATM   35  H   UNL     1       8.998   2.145  -0.817  1.00  0.00           H  
HETATM   36  H   UNL     1       7.868   4.707  -0.451  1.00  0.00           H  
HETATM   37  H   UNL     1       9.146   4.316  -1.626  1.00  0.00           H  
HETATM   38  H   UNL     1       7.435   4.131  -2.078  1.00  0.00           H  
HETATM   39  H   UNL     1       7.735   0.094  -0.525  1.00  0.00           H  
HETATM   40  H   UNL     1       6.761   1.012   2.217  1.00  0.00           H  
HETATM   41  H   UNL     1       8.300  -1.460   1.303  1.00  0.00           H  
HETATM   42  H   UNL     1       7.888  -1.059   2.987  1.00  0.00           H  
HETATM   43  H   UNL     1       6.597  -1.430   1.819  1.00  0.00           H  
HETATM   44  H   UNL     1       8.809   2.211   1.437  1.00  0.00           H  
HETATM   45  H   UNL     1       9.149   1.121   2.803  1.00  0.00           H  
HETATM   46  H   UNL     1       9.595   0.641   1.148  1.00  0.00           H  
HETATM   47  H   UNL     1       4.928   0.698   0.003  1.00  0.00           H  
HETATM   48  H   UNL     1       1.856  -4.035  -0.851  1.00  0.00           H  
HETATM   49  H   UNL     1       4.533  -3.904  -0.695  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.175  -3.476  -0.873  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.539  -2.802  -0.907  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.410   1.265  -0.281  1.00  0.00           H  
HETATM   53  H   UNL     1       0.960   0.611  -0.232  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.652   0.693  -1.000  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.123  -1.003  -1.262  1.00  0.00           H  
HETATM   56  H   UNL     1     -10.571   0.765   0.103  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.049   0.105  -2.100  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.845   0.451  -2.865  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.489  -0.011   2.688  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.909   2.411  -0.133  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.180   1.870  -2.408  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.847   2.173  -2.379  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    5    3                                       
CONECT    3    2    4   35                                            
CONECT    4    3   36   37   38                                       
CONECT    5    6    2    9   39                                       
CONECT    6    8    5    7   40                                       
CONECT    7    6   41   42   43                                       
CONECT    8    6   44   45   46                                       
CONECT    9    5   10   47                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   16   16                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   15   17                                       
CONECT   15   16   14   14   48                                       
CONECT   16   12   12   15   49                                       
CONECT   17   14   18   18   22                                       
CONECT   18   17   17   19   50                                       
CONECT   19   18   20   20   51                                       
CONECT   20   19   19   21   23                                       
CONECT   21   22   22   20   52                                       
CONECT   22   17   21   21   53                                       
CONECT   23   24   20   54   55                                       
CONECT   24   25   23                                                 
CONECT   25   26   24   34   34                                       
CONECT   26   27   25   59                                            
CONECT   27   28   28   26   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   33   33                                       
CONECT   30   29   31   56   60                                       
CONECT   31   30   32   57   61                                       
CONECT   32   33   31   58   62                                       
CONECT   33   29   29   34   32                                       
CONECT   34   25   25   33                                            
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   26                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
