COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.531  -2.094  -0.505  1.00  0.00           O  
HETATM    2  S   UNL     1      -5.290  -0.893  -0.497  1.00  0.00           S  
HETATM    3  O   UNL     1      -6.275  -0.589  -1.474  1.00  0.00           O  
HETATM    4  N   UNL     1      -6.053  -0.833   0.972  1.00  0.00           N  
HETATM    5  C   UNL     1      -7.283  -0.045   1.154  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.336  -0.940   1.818  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.778  -1.530   2.995  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.661  -2.386   2.748  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.525  -1.570   2.131  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.127   0.430  -0.535  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.572   1.742  -0.504  1.00  0.00           C  
HETATM   12 CL   UNL     1      -6.274   2.076  -0.428  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -3.665   2.788  -0.533  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.310   2.529  -0.594  1.00  0.00           C  
HETATM   15 CL   UNL     1      -1.174   3.841  -0.631  1.00  0.00          Cl  
HETATM   16  C   UNL     1      -2.777   0.158  -0.590  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.856   1.207  -0.626  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.409   0.922  -0.691  1.00  0.00           C  
HETATM   19  O   UNL     1       0.391   1.838  -0.717  1.00  0.00           O  
HETATM   20  N   UNL     1       0.026  -0.353  -0.722  1.00  0.00           N  
HETATM   21  C   UNL     1       1.385  -0.621  -0.783  1.00  0.00           C  
HETATM   22  C   UNL     1       1.929  -1.875  -0.818  1.00  0.00           C  
HETATM   23  C   UNL     1       1.146  -3.074  -0.795  1.00  0.00           C  
HETATM   24  N   UNL     1       0.525  -4.024  -0.777  1.00  0.00           N  
HETATM   25  S   UNL     1       2.605   0.567  -0.832  1.00  0.00           S  
HETATM   26  C   UNL     1       3.885  -0.630  -0.895  1.00  0.00           C  
HETATM   27  C   UNL     1       3.376  -1.871  -0.882  1.00  0.00           C  
HETATM   28  C   UNL     1       5.370  -0.331  -0.959  1.00  0.00           C  
HETATM   29  N   UNL     1       6.109  -1.551  -0.601  1.00  0.00           N  
HETATM   30  C   UNL     1       5.648  -2.698  -1.396  1.00  0.00           C  
HETATM   31  C   UNL     1       4.250  -3.114  -0.933  1.00  0.00           C  
HETATM   32  C   UNL     1       7.556  -1.353  -0.753  1.00  0.00           C  
HETATM   33  C   UNL     1       8.033  -0.337   0.253  1.00  0.00           C  
HETATM   34  C   UNL     1       8.454  -0.750   1.503  1.00  0.00           C  
HETATM   35  C   UNL     1       8.891   0.180   2.428  1.00  0.00           C  
HETATM   36  C   UNL     1       8.907   1.528   2.100  1.00  0.00           C  
HETATM   37  O   UNL     1       9.336   2.444   3.007  1.00  0.00           O  
HETATM   38  C   UNL     1       8.484   1.939   0.844  1.00  0.00           C  
HETATM   39  C   UNL     1       8.053   1.005  -0.078  1.00  0.00           C  
HETATM   40  H   UNL     1      -7.077   0.814   1.792  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.648   0.295   0.185  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.727  -2.239   1.808  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.139  -0.866   2.868  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.205  -0.341   2.088  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.635  -1.726   1.125  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.325  -2.827   3.687  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.954  -3.177   2.058  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.432  -0.866  -0.609  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.018   3.808  -0.508  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.612  -1.084  -0.701  1.00  0.00           H  
HETATM   51  H   UNL     1       5.638  -0.024  -1.970  1.00  0.00           H  
HETATM   52  H   UNL     1       5.613   0.464  -0.255  1.00  0.00           H  
HETATM   53  H   UNL     1       4.313  -3.561   0.059  1.00  0.00           H  
HETATM   54  H   UNL     1       3.827  -3.833  -1.635  1.00  0.00           H  
HETATM   55  H   UNL     1       5.608  -2.419  -2.449  1.00  0.00           H  
HETATM   56  H   UNL     1       6.338  -3.532  -1.267  1.00  0.00           H  
HETATM   57  H   UNL     1       8.072  -2.299  -0.587  1.00  0.00           H  
HETATM   58  H   UNL     1       7.770  -0.995  -1.760  1.00  0.00           H  
HETATM   59  H   UNL     1       8.441  -1.799   1.758  1.00  0.00           H  
HETATM   60  H   UNL     1       7.728   1.324  -1.058  1.00  0.00           H  
HETATM   61  H   UNL     1       9.219  -0.143   3.405  1.00  0.00           H  
HETATM   62  H   UNL     1      10.285   2.625   2.964  1.00  0.00           H  
HETATM   63  H   UNL     1       8.495   2.988   0.587  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4   10                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5    9                                            
CONECT    5    4    6   40   41                                       
CONECT    6    5    7   44   45                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   46   47                                       
CONECT    9    4    8   42   43                                       
CONECT   10    2   11   16   16                                       
CONECT   11   10   12   13   13                                       
CONECT   12   11                                                      
CONECT   13   11   11   14   49                                       
CONECT   14   13   15   17   17                                       
CONECT   15   14                                                      
CONECT   16   10   10   17   48                                       
CONECT   17   14   14   16   18                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   50                                            
CONECT   21   20   22   22   25                                       
CONECT   22   21   21   23   27                                       
CONECT   23   22   24   24   24                                       
CONECT   24   23   23   23                                            
CONECT   25   21   26                                                 
CONECT   26   25   27   27   28                                       
CONECT   27   22   26   26   31                                       
CONECT   28   26   29   51   52                                       
CONECT   29   28   30   32                                            
CONECT   30   29   31   55   56                                       
CONECT   31   27   30   53   54                                       
CONECT   32   29   33   57   58                                       
CONECT   33   32   34   39   39                                       
CONECT   34   33   35   35   59                                       
CONECT   35   34   34   36   61                                       
CONECT   36   35   37   38   38                                       
CONECT   37   36   62                                                 
CONECT   38   36   36   39   63                                       
CONECT   39   33   33   38   60                                       
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   16                                                      
CONECT   49   13                                                      
CONECT   50   20                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   34                                                      
CONECT   60   39                                                      
CONECT   61   35                                                      
CONECT   62   37                                                      
CONECT   63   38                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
