COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.172  -0.877  -2.846  1.00  0.00           C  
HETATM    2  N   UNL     1       5.372  -0.061  -0.531  1.00  0.00           N  
HETATM    3  S   UNL     1       4.578  -0.826   2.155  1.00  0.00           S  
HETATM    4  C   UNL     1       4.637   0.093  -1.790  1.00  0.00           C  
HETATM    5  N   UNL     1       3.259  -0.581   0.030  1.00  0.00           N  
HETATM    6  S   UNL     1       0.114   0.440   0.536  1.00  0.00           S  
HETATM    7  C   UNL     1       4.729   1.535  -2.293  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.862  -1.413   0.251  1.00  0.00           N  
HETATM    9  C   UNL     1       4.558  -0.431   0.422  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.512   0.815   0.281  1.00  0.00           N  
HETATM   11  C   UNL     1       2.842  -1.166   2.239  1.00  0.00           C  
HETATM   12  C   UNL     1       3.187  -0.261  -1.420  1.00  0.00           C  
HETATM   13  C   UNL     1       2.381  -0.972   1.022  1.00  0.00           C  
HETATM   14  C   UNL     1       0.919  -1.171   0.716  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.560  -0.074   0.341  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.254  -1.840   0.088  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.417  -3.264   0.623  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.870  -3.711   0.453  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.244  -3.677  -1.031  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.082  -2.252  -1.565  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.628  -1.806  -1.395  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.182   2.243   0.260  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.606   2.844  -1.081  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.261   4.335  -1.104  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.000   5.046   0.031  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.576   4.444   1.373  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.921   2.954   1.395  1.00  0.00           C  
HETATM   28  H   UNL     1       5.080  -1.900  -2.480  1.00  0.00           H  
HETATM   29  H   UNL     1       4.597  -0.767  -3.765  1.00  0.00           H  
HETATM   30  H   UNL     1       6.221  -0.655  -3.044  1.00  0.00           H  
HETATM   31  H   UNL     1       4.129   1.644  -3.196  1.00  0.00           H  
HETATM   32  H   UNL     1       4.356   2.212  -1.525  1.00  0.00           H  
HETATM   33  H   UNL     1       5.768   1.776  -2.516  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.154  -2.074   0.295  1.00  0.00           H  
HETATM   35  H   UNL     1       2.279  -1.470   3.109  1.00  0.00           H  
HETATM   36  H   UNL     1       2.530   0.592  -1.592  1.00  0.00           H  
HETATM   37  H   UNL     1       2.848  -1.127  -1.987  1.00  0.00           H  
HETATM   38  H   UNL     1       0.449  -1.723   1.530  1.00  0.00           H  
HETATM   39  H   UNL     1       0.815  -1.735  -0.212  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.908  -1.167   0.643  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.763  -3.937   0.068  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.150  -3.289   1.679  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.986  -4.725   0.834  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.524  -3.038   1.008  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.590  -4.350  -1.585  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.279  -3.995  -1.152  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.348  -2.228  -2.622  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.735  -1.579  -1.010  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.513  -0.791  -1.776  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.974  -2.479  -1.950  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.107   2.368   0.391  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.080   2.337  -1.890  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.681   2.718  -1.212  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.186   4.461  -0.973  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.563   4.764  -2.059  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.754   6.108   0.016  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.075   4.920  -0.100  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.501   4.570   1.503  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.102   4.951   2.181  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.996   2.828   1.264  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.618   2.525   2.350  1.00  0.00           H  
CONECT    1    4   28   29   30                                       
CONECT    2    4    9    9                                            
CONECT    3   11    9                                                 
CONECT    4    1    2   12    7                                       
CONECT    5   13    9   12                                            
CONECT    6   15   14                                                 
CONECT    7    4   31   32   33                                       
CONECT    8   16   15   34                                            
CONECT    9    2    2    3    5                                       
CONECT   10   15   15   22                                            
CONECT   11    3   13   13   35                                       
CONECT   12    4    5   36   37                                       
CONECT   13    5   11   11   14                                       
CONECT   14   13    6   38   39                                       
CONECT   15    6   10   10    8                                       
CONECT   16    8   17   21   40                                       
CONECT   17   16   18   41   42                                       
CONECT   18   17   19   43   44                                       
CONECT   19   18   20   45   46                                       
CONECT   20   19   21   47   48                                       
CONECT   21   16   20   49   50                                       
CONECT   22   10   23   27   51                                       
CONECT   23   22   24   52   53                                       
CONECT   24   23   25   54   55                                       
CONECT   25   24   26   56   57                                       
CONECT   26   25   27   58   59                                       
CONECT   27   26   22   60   61                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
