COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.600  -2.070  -2.054  1.00  0.00           O  
HETATM    2  S   UNL     1      -5.180  -3.459  -2.070  1.00  0.00           S  
HETATM    3  O   UNL     1      -6.000  -4.460  -1.414  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.019  -3.940  -3.767  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.768  -2.971  -4.720  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.643  -3.350  -6.057  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.771  -4.692  -6.416  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.650  -5.062  -7.720  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.391  -4.027  -8.667  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.025  -5.655  -5.438  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.150  -5.275  -4.102  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.557  -3.572  -1.492  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.889  -4.898  -1.567  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.897  -5.101  -0.415  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.570  -5.001   0.955  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.131  -6.418  -0.543  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.629  -2.462  -1.810  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.720  -1.384  -0.726  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.416  -1.962   0.543  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.759  -0.203  -0.989  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.048   0.546  -2.305  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.443   1.926  -2.368  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.175   3.011  -1.914  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.616   4.288  -1.973  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.331   4.463  -2.486  1.00  0.00           C  
HETATM   26  C   UNL     1       0.395   3.362  -2.940  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.164   2.085  -2.881  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.383  -0.656  -1.001  1.00  0.00           N  
HETATM   29  C   UNL     1       0.388  -0.750   0.139  1.00  0.00           C  
HETATM   30  O   UNL     1       0.038  -0.477   1.282  1.00  0.00           O  
HETATM   31  C   UNL     1       1.777  -1.241  -0.108  1.00  0.00           C  
HETATM   32  O   UNL     1       2.459  -1.242   1.145  1.00  0.00           O  
HETATM   33  C   UNL     1       3.149  -2.424   1.286  1.00  0.00           C  
HETATM   34  O   UNL     1       3.901  -2.609   2.233  1.00  0.00           O  
HETATM   35  C   UNL     1       1.818  -2.669  -0.594  1.00  0.00           C  
HETATM   36  N   UNL     1       2.818  -3.279   0.240  1.00  0.00           N  
HETATM   37  C   UNL     1       3.305  -4.599   0.011  1.00  0.00           C  
HETATM   38  C   UNL     1       4.226  -5.173   0.894  1.00  0.00           C  
HETATM   39  C   UNL     1       4.703  -6.464   0.669  1.00  0.00           C  
HETATM   40  C   UNL     1       4.263  -7.187  -0.439  1.00  0.00           C  
HETATM   41  C   UNL     1       2.868  -5.329  -1.099  1.00  0.00           C  
HETATM   42  C   UNL     1       3.346  -6.620  -1.323  1.00  0.00           C  
HETATM   43  C   UNL     1       2.887  -7.375  -2.478  1.00  0.00           C  
HETATM   44  O   UNL     1       2.083  -6.964  -3.318  1.00  0.00           O  
HETATM   45  C   UNL     1       3.438  -8.759  -2.666  1.00  0.00           C  
HETATM   46  H   UNL     1      -4.666  -1.923  -4.451  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.446  -2.596  -6.813  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.385  -3.060  -8.159  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.163  -4.039  -9.441  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.415  -4.201  -9.126  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.126  -6.701  -5.712  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.348  -6.033  -3.349  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.379  -4.975  -2.533  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.664  -5.672  -1.537  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.163  -4.287  -0.477  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.269  -5.825   1.127  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.820  -5.030   1.753  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.121  -4.059   1.050  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.792  -7.285  -0.439  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.360  -6.492   0.232  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.632  -6.485  -1.516  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.620  -2.882  -1.877  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.914  -2.061  -2.788  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.748  -1.006  -0.674  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.824  -1.390   1.210  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.831   0.498  -0.148  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.716  -0.052  -3.164  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.134   0.650  -2.438  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.177   2.885  -1.512  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.181   5.145  -1.619  1.00  0.00           H  
HETATM   71  H   UNL     1       0.105   5.457  -2.532  1.00  0.00           H  
HETATM   72  H   UNL     1       1.396   3.498  -3.339  1.00  0.00           H  
HETATM   73  H   UNL     1       0.409   1.233  -3.237  1.00  0.00           H  
HETATM   74  H   UNL     1       0.033  -0.915  -1.889  1.00  0.00           H  
HETATM   75  H   UNL     1       2.282  -0.550  -0.789  1.00  0.00           H  
HETATM   76  H   UNL     1       0.869  -3.199  -0.456  1.00  0.00           H  
HETATM   77  H   UNL     1       2.111  -2.732  -1.648  1.00  0.00           H  
HETATM   78  H   UNL     1       4.576  -4.618   1.761  1.00  0.00           H  
HETATM   79  H   UNL     1       5.418  -6.906   1.357  1.00  0.00           H  
HETATM   80  H   UNL     1       4.642  -8.193  -0.605  1.00  0.00           H  
HETATM   81  H   UNL     1       2.152  -4.886  -1.788  1.00  0.00           H  
HETATM   82  H   UNL     1       3.288  -9.417  -1.796  1.00  0.00           H  
HETATM   83  H   UNL     1       4.511  -8.771  -2.909  1.00  0.00           H  
HETATM   84  H   UNL     1       2.963  -9.308  -3.499  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2   12    4                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5    5   11                                       
CONECT    5    4    4    6   46                                       
CONECT    6    5    7    7   47                                       
CONECT    7    6    6   10    8                                       
CONECT    8    7    9                                                 
CONECT    9    8   48   49   50                                       
CONECT   10    7   11   11   51                                       
CONECT   11    4   10   10   52                                       
CONECT   12    2   17   13                                            
CONECT   13   12   14   53   54                                       
CONECT   14   13   15   16   55                                       
CONECT   15   14   56   57   58                                       
CONECT   16   14   59   60   61                                       
CONECT   17   12   18   62   63                                       
CONECT   18   17   20   19   64                                       
CONECT   19   18   65                                                 
CONECT   20   18   28   21   66                                       
CONECT   21   20   22   67   68                                       
CONECT   22   21   27   27   23                                       
CONECT   23   22   24   24   69                                       
CONECT   24   23   23   25   70                                       
CONECT   25   24   26   26   71                                       
CONECT   26   25   25   27   72                                       
CONECT   27   22   22   26   73                                       
CONECT   28   20   29   74                                            
CONECT   29   28   31   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   29   35   32   75                                       
CONECT   32   31   33                                                 
CONECT   33   32   36   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   31   36   76   77                                       
CONECT   36   33   35   37                                            
CONECT   37   36   41   41   38                                       
CONECT   38   37   39   39   78                                       
CONECT   39   38   38   40   79                                       
CONECT   40   39   42   42   80                                       
CONECT   41   37   37   42   81                                       
CONECT   42   40   40   41   43                                       
CONECT   43   42   45   44   44                                       
CONECT   44   43   43                                                 
CONECT   45   43   82   83   84                                       
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   31                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   45                                                      
CONECT   83   45                                                      
CONECT   84   45                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
