COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.395   3.029   0.676  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.320   4.217   1.373  1.00  0.00           C  
HETATM    3  C   UNL     1       0.049  -2.329   0.909  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.653   4.271   2.584  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.058   3.136   3.104  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.127   1.941   2.417  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.798   1.880   1.196  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.880   0.602   0.457  1.00  0.00           C  
HETATM    9  C   UNL     1       6.830   2.557  -1.633  1.00  0.00           C  
HETATM   10  C   UNL     1       5.376   2.808  -2.038  1.00  0.00           C  
HETATM   11  C   UNL     1       4.465   1.816  -1.311  1.00  0.00           C  
HETATM   12  C   UNL     1       3.011   2.067  -1.716  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.551  -1.051  -1.159  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.250   0.350  -0.677  1.00  0.00           C  
HETATM   15  C   UNL     1       0.647   1.326  -1.394  1.00  0.00           C  
HETATM   16  C   UNL     1       2.101   1.075  -0.988  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.123  -1.781   0.079  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.006  -0.311   1.671  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.166  -0.388   0.648  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.674  -0.275  -0.735  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.119   0.955  -1.220  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.592   1.054  -2.513  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.626  -0.064  -3.327  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.187  -1.287  -2.852  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.705  -1.397  -1.564  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.694  -0.590   0.896  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.109  -1.796   2.339  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.381  -0.931   2.362  1.00  0.00           C  
HETATM   29  N   UNL     1       2.142  -4.064  -0.662  1.00  0.00           N  
HETATM   30  O   UNL     1       1.287  -1.878   0.357  1.00  0.00           O  
HETATM   31  O   UNL     1       2.276  -3.511   1.739  1.00  0.00           O  
HETATM   32  O   UNL     1       3.602  -2.213   0.065  1.00  0.00           O  
HETATM   33  S   UNL     1       2.420  -2.888   0.470  1.00  0.00           S  
HETATM   34  H   UNL     1      -1.920   2.987  -0.267  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.782   5.107   0.972  1.00  0.00           H  
HETATM   36  H   UNL     1       0.021  -3.418   0.914  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.596   5.204   3.125  1.00  0.00           H  
HETATM   38  H   UNL     1       0.462   3.184   4.050  1.00  0.00           H  
HETATM   39  H   UNL     1       0.338   1.055   2.824  1.00  0.00           H  
HETATM   40  H   UNL     1       7.112   1.539  -1.903  1.00  0.00           H  
HETATM   41  H   UNL     1       7.478   3.263  -2.151  1.00  0.00           H  
HETATM   42  H   UNL     1       6.935   2.689  -0.556  1.00  0.00           H  
HETATM   43  H   UNL     1       5.094   3.825  -1.768  1.00  0.00           H  
HETATM   44  H   UNL     1       5.271   2.675  -3.114  1.00  0.00           H  
HETATM   45  H   UNL     1       4.747   0.798  -1.581  1.00  0.00           H  
HETATM   46  H   UNL     1       4.570   1.949  -0.234  1.00  0.00           H  
HETATM   47  H   UNL     1       2.729   3.085  -1.446  1.00  0.00           H  
HETATM   48  H   UNL     1       2.906   1.934  -2.792  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.291  -1.025  -1.960  1.00  0.00           H  
HETATM   50  H   UNL     1       0.361  -1.538  -1.502  1.00  0.00           H  
HETATM   51  H   UNL     1       0.542   1.194  -2.470  1.00  0.00           H  
HETATM   52  H   UNL     1       0.365   2.344  -1.123  1.00  0.00           H  
HETATM   53  H   UNL     1       2.383   0.058  -1.259  1.00  0.00           H  
HETATM   54  H   UNL     1       2.206   1.208   0.088  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.861  -2.542  -0.174  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.070  -0.258   1.493  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.627  -0.303   2.682  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.094   1.828  -0.585  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.936   2.006  -2.889  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.997   0.019  -4.338  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.216  -2.156  -3.493  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.358  -2.352  -1.196  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.212  -2.629   3.036  1.00  0.00           H  
HETATM   64  H   UNL     1       0.758  -1.194   2.608  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.203  -0.018   2.930  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.206  -1.491   2.801  1.00  0.00           H  
HETATM   67  H   UNL     1       1.362  -4.010  -1.237  1.00  0.00           H  
HETATM   68  H   UNL     1       2.759  -4.808  -0.751  1.00  0.00           H  
CONECT    1    2    7    7   34                                       
CONECT    2    4    4    1   35                                       
CONECT    3   27   17   30   36                                       
CONECT    4    2    2    5   37                                       
CONECT    5    4    6    6   38                                       
CONECT    6    5    5    7   39                                       
CONECT    7    1    1    6    8                                       
CONECT    8    7   26   14   14                                       
CONECT    9   10   40   41   42                                       
CONECT   10   11    9   43   44                                       
CONECT   11   12   10   45   46                                       
CONECT   12   11   16   47   48                                       
CONECT   13   14   17   49   50                                       
CONECT   14    8    8   15   13                                       
CONECT   15   14   16   51   52                                       
CONECT   16   15   12   53   54                                       
CONECT   17   26   13    3   55                                       
CONECT   18   19   19   56   57                                       
CONECT   19   18   18   26   20                                       
CONECT   20   19   25   25   21                                       
CONECT   21   20   22   22   58                                       
CONECT   22   21   21   23   59                                       
CONECT   23   24   24   22   60                                       
CONECT   24   25   23   23   61                                       
CONECT   25   20   20   24   62                                       
CONECT   26    8   19   28   17                                       
CONECT   27   28    3   63   64                                       
CONECT   28   26   27   65   66                                       
CONECT   29   33   67   68                                            
CONECT   30    3   33                                                 
CONECT   31   33   33                                                 
CONECT   32   33   33                                                 
CONECT   33   30   32   32   29                                       
CONECT   33   31   31                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
