COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.445  -1.839   3.979  1.00  0.00           O  
HETATM    2  S   UNL     1      -0.792  -1.002   4.924  1.00  0.00           S  
HETATM    3  O   UNL     1      -0.433  -1.378   6.247  1.00  0.00           O  
HETATM    4  N   UNL     1      -1.756   0.335   5.082  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.174   1.081   3.893  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.051   2.262   4.315  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.533   2.210   3.938  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.592   3.170   3.209  1.00  0.00           C  
HETATM    9  C   UNL     1       0.704  -0.484   4.151  1.00  0.00           C  
HETATM   10  C   UNL     1       1.769  -0.062   4.924  1.00  0.00           C  
HETATM   11  C   UNL     1       2.946   0.344   4.324  1.00  0.00           C  
HETATM   12  C   UNL     1       0.809  -0.500   2.773  1.00  0.00           C  
HETATM   13  C   UNL     1       1.985  -0.087   2.163  1.00  0.00           C  
HETATM   14  C   UNL     1       3.060   0.331   2.943  1.00  0.00           C  
HETATM   15  O   UNL     1       4.217   0.731   2.351  1.00  0.00           O  
HETATM   16  C   UNL     1       5.113   1.100   3.401  1.00  0.00           C  
HETATM   17  N   UNL     1       2.094  -0.103   0.767  1.00  0.00           N  
HETATM   18  C   UNL     1       0.983  -0.364  -0.009  1.00  0.00           C  
HETATM   19  O   UNL     1       0.985  -0.542  -1.339  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.292  -0.774  -1.725  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.057  -0.732  -0.606  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.245  -0.483   0.433  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.762  -1.025  -3.102  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.225  -0.302  -4.167  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.670  -0.548  -5.462  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.656  -1.508  -5.687  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.190  -2.218  -4.629  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.750  -1.984  -3.342  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.099   0.212  -6.601  1.00  0.00           C  
HETATM   30  C   UNL     1       1.262   0.498  -6.649  1.00  0.00           C  
HETATM   31  N   UNL     1       1.771   1.168  -7.663  1.00  0.00           N  
HETATM   32  C   UNL     1       1.021   1.602  -8.657  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.340   1.363  -8.679  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.921   0.658  -7.640  1.00  0.00           C  
HETATM   35  H   UNL     1      -2.044   0.624   5.962  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.740   0.425   3.233  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.293   1.452   3.369  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.789   2.727   5.265  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.883   1.335   3.390  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.246   2.641   4.641  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.685   4.233   3.431  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.322   2.927   2.181  1.00  0.00           H  
HETATM   43  H   UNL     1       1.683  -0.051   6.001  1.00  0.00           H  
HETATM   44  H   UNL     1       3.777   0.672   4.931  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.024  -0.830   2.171  1.00  0.00           H  
HETATM   46  H   UNL     1       6.059   1.430   2.973  1.00  0.00           H  
HETATM   47  H   UNL     1       4.675   1.912   3.983  1.00  0.00           H  
HETATM   48  H   UNL     1       5.287   0.241   4.049  1.00  0.00           H  
HETATM   49  H   UNL     1       2.951   0.069   0.346  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.127  -0.876  -0.559  1.00  0.00           H  
HETATM   51  H   UNL     1       0.538   0.439  -3.988  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.004  -1.696  -6.692  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.954  -2.960  -4.809  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.170  -2.542  -2.518  1.00  0.00           H  
HETATM   55  H   UNL     1       1.909   0.159  -5.853  1.00  0.00           H  
HETATM   56  H   UNL     1       1.478   2.152  -9.466  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.944   1.723  -9.499  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.982   0.456  -7.632  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    9                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5   35                                            
CONECT    5    4    6   36   37                                       
CONECT    6    5    7    8   38                                       
CONECT    7    6    8   39   40                                       
CONECT    8    6    7   41   42                                       
CONECT    9    2   10   10   12                                       
CONECT   10    9    9   11   43                                       
CONECT   11   10   14   14   44                                       
CONECT   12    9   13   13   45                                       
CONECT   13   12   12   14   17                                       
CONECT   14   11   11   13   15                                       
CONECT   15   14   16                                                 
CONECT   16   15   46   47   48                                       
CONECT   17   13   18   49                                            
CONECT   18   17   19   22   22                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   21   23                                       
CONECT   21   20   20   22   50                                       
CONECT   22   18   18   21                                            
CONECT   23   20   24   24   28                                       
CONECT   24   23   23   25   51                                       
CONECT   25   24   26   26   29                                       
CONECT   26   25   25   27   52                                       
CONECT   27   26   28   28   53                                       
CONECT   28   23   27   27   54                                       
CONECT   29   25   30   30   34                                       
CONECT   30   29   29   31   55                                       
CONECT   31   30   32   32                                            
CONECT   32   31   31   33   56                                       
CONECT   33   32   34   34   57                                       
CONECT   34   29   33   33   58                                       
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   21                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
