COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.922   2.638   0.235  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.021   3.659  -0.112  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.429   4.992   0.063  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.040   1.767  -0.516  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.645   5.223   0.547  1.00  0.00           N  
HETATM    6  N   UNL     1      -5.118   2.967   0.712  1.00  0.00           N  
HETATM    7  O   UNL     1       6.832  -0.031  -1.687  1.00  0.00           O  
HETATM    8  C   UNL     1       6.578   1.142  -1.498  1.00  0.00           C  
HETATM    9  O   UNL     1       6.695   2.027  -2.507  1.00  0.00           O  
HETATM   10  C   UNL     1       6.140   1.597  -0.162  1.00  0.00           C  
HETATM   11  C   UNL     1       6.814   2.630   0.482  1.00  0.00           C  
HETATM   12  C   UNL     1       6.401   3.053   1.732  1.00  0.00           C  
HETATM   13  C   UNL     1       5.318   2.456   2.352  1.00  0.00           C  
HETATM   14  C   UNL     1       4.633   1.429   1.729  1.00  0.00           C  
HETATM   15  C   UNL     1       5.031   0.993   0.466  1.00  0.00           C  
HETATM   16  C   UNL     1       4.302  -0.097  -0.206  1.00  0.00           C  
HETATM   17  O   UNL     1       4.582  -0.401  -1.346  1.00  0.00           O  
HETATM   18  C   UNL     1       3.210  -0.835   0.525  1.00  0.00           C  
HETATM   19  C   UNL     1       2.620  -1.909  -0.391  1.00  0.00           C  
HETATM   20  C   UNL     1       1.527  -2.646   0.339  1.00  0.00           C  
HETATM   21  O   UNL     1       1.247  -2.342   1.479  1.00  0.00           O  
HETATM   22  N   UNL     1       0.860  -3.644  -0.275  1.00  0.00           N  
HETATM   23  S   UNL     1      -0.341  -4.454   0.527  1.00  0.00           S  
HETATM   24  O   UNL     1      -0.863  -5.406  -0.389  1.00  0.00           O  
HETATM   25  O   UNL     1       0.192  -4.807   1.796  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.459  -3.455   0.792  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.238  -3.135  -0.362  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.325  -2.128   0.021  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.738  -0.844   0.323  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.258  -1.862  -1.181  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.450  -2.643  -1.073  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.586  -0.356  -1.076  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.990  -0.161  -0.899  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.812   0.109   0.178  1.00  0.00           C  
HETATM   35  N   UNL     1      -3.274   1.457  -0.026  1.00  0.00           N  
HETATM   36  N   UNL     1      -1.893   3.059  -0.564  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.458   4.230   0.859  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.585   6.039  -0.261  1.00  0.00           N  
HETATM   39  H   UNL     1      -1.294   1.046  -0.815  1.00  0.00           H  
HETATM   40  H   UNL     1       6.985   1.681  -3.363  1.00  0.00           H  
HETATM   41  H   UNL     1       7.661   3.101   0.005  1.00  0.00           H  
HETATM   42  H   UNL     1       6.928   3.855   2.228  1.00  0.00           H  
HETATM   43  H   UNL     1       5.004   2.795   3.328  1.00  0.00           H  
HETATM   44  H   UNL     1       3.789   0.968   2.218  1.00  0.00           H  
HETATM   45  H   UNL     1       3.622  -1.304   1.417  1.00  0.00           H  
HETATM   46  H   UNL     1       2.427  -0.132   0.812  1.00  0.00           H  
HETATM   47  H   UNL     1       2.207  -1.439  -1.284  1.00  0.00           H  
HETATM   48  H   UNL     1       3.402  -2.611  -0.679  1.00  0.00           H  
HETATM   49  H   UNL     1       1.083  -3.887  -1.187  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.594  -2.701  -1.126  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.702  -4.041  -0.750  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.899  -2.496   0.872  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.745  -2.079  -2.118  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.072  -2.515  -1.802  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.236   0.174  -1.962  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.529  -0.491  -1.631  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.461   0.087   1.054  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.437   4.463   1.249  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.699   5.857  -0.613  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.878   6.955  -0.136  1.00  0.00           H  
CONECT    1    2   35    6    6                                       
CONECT    2   36    3    3    1                                       
CONECT    3   38    2    2    5                                       
CONECT    4   36   36   35   39                                       
CONECT    5    3   37   37                                            
CONECT    6    1    1   37                                            
CONECT    7    8    8                                                 
CONECT    8    7    7    9   10                                       
CONECT    9    8   40                                                 
CONECT   10    8   11   11   15                                       
CONECT   11   10   10   12   41                                       
CONECT   12   11   13   13   42                                       
CONECT   13   12   12   14   43                                       
CONECT   14   15   15   13   44                                       
CONECT   15   10   16   14   14                                       
CONECT   16   17   17   15   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   45   46                                       
CONECT   19   18   20   47   48                                       
CONECT   20   19   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   49                                            
CONECT   23   22   24   24   25                                       
CONECT   23   25   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   50   51                                       
CONECT   28   27   29   30   52                                       
CONECT   29   28   34                                                 
CONECT   30   28   31   32   53                                       
CONECT   31   30   54                                                 
CONECT   32   30   34   33   55                                       
CONECT   33   32   56                                                 
CONECT   34   29   35   32   57                                       
CONECT   35    4    1   34                                            
CONECT   36    4    4    2                                            
CONECT   37    5    5    6   58                                       
CONECT   38    3   59   60                                            
CONECT   39    4                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   22                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   33                                                      
CONECT   57   34                                                      
CONECT   58   37                                                      
CONECT   59   38                                                      
CONECT   60   38                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
