COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.142  -2.751  -0.680  1.00  0.00           C  
HETATM    2  S   UNL     1      -9.027  -1.173  -0.557  1.00  0.00           S  
HETATM    3  O   UNL     1     -10.154  -1.164  -1.423  1.00  0.00           O  
HETATM    4  O   UNL     1      -9.144  -0.770   0.800  1.00  0.00           O  
HETATM    5  N   UNL     1      -7.992  -0.065  -1.224  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.744   0.169  -0.635  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.657   0.912   0.535  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.426   1.143   1.116  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.593  -0.345  -1.217  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.362  -0.113  -0.635  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.276   0.634   0.531  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.063   0.863   1.103  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.921   0.309   0.446  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.658   0.668   1.231  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.699   0.039   2.513  1.00  0.00           O  
HETATM   16  C   UNL     1       0.574   0.183   0.464  1.00  0.00           C  
HETATM   17  N   UNL     1       1.789   0.619   1.164  1.00  0.00           N  
HETATM   18  C   UNL     1       1.927   2.081   1.120  1.00  0.00           C  
HETATM   19  C   UNL     1       1.911   2.551  -0.336  1.00  0.00           C  
HETATM   20  C   UNL     1       2.168   4.058  -0.389  1.00  0.00           C  
HETATM   21  C   UNL     1       2.152   4.528  -1.845  1.00  0.00           C  
HETATM   22  C   UNL     1       2.980  -0.039   0.610  1.00  0.00           C  
HETATM   23  C   UNL     1       4.184   0.241   1.513  1.00  0.00           C  
HETATM   24  C   UNL     1       5.406  -0.433   0.944  1.00  0.00           C  
HETATM   25  C   UNL     1       6.214   0.241   0.048  1.00  0.00           C  
HETATM   26  C   UNL     1       7.335  -0.377  -0.474  1.00  0.00           C  
HETATM   27 CL   UNL     1       8.350   0.470  -1.599  1.00  0.00          Cl  
HETATM   28  C   UNL     1       7.648  -1.673  -0.097  1.00  0.00           C  
HETATM   29 CL   UNL     1       9.056  -2.451  -0.750  1.00  0.00          Cl  
HETATM   30  C   UNL     1       6.839  -2.346   0.799  1.00  0.00           C  
HETATM   31  C   UNL     1       5.721  -1.725   1.324  1.00  0.00           C  
HETATM   32  H   UNL     1      -7.890  -2.947  -1.722  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.228  -2.702  -0.088  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.776  -3.553  -0.302  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.250   0.420  -2.023  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.552   1.309   0.991  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.358   1.720   2.026  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.660  -0.927  -2.125  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.467  -0.513  -1.087  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.022  -0.775   0.396  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.850   0.715  -0.563  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.604   1.749   1.358  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.747  -0.926   2.477  1.00  0.00           H  
HETATM   44  H   UNL     1       0.559  -0.905   0.404  1.00  0.00           H  
HETATM   45  H   UNL     1       0.564   0.602  -0.542  1.00  0.00           H  
HETATM   46  H   UNL     1       1.098   2.540   1.659  1.00  0.00           H  
HETATM   47  H   UNL     1       2.869   2.372   1.585  1.00  0.00           H  
HETATM   48  H   UNL     1       2.689   2.030  -0.895  1.00  0.00           H  
HETATM   49  H   UNL     1       0.939   2.332  -0.778  1.00  0.00           H  
HETATM   50  H   UNL     1       1.390   4.579   0.170  1.00  0.00           H  
HETATM   51  H   UNL     1       3.141   4.276   0.053  1.00  0.00           H  
HETATM   52  H   UNL     1       2.930   4.007  -2.403  1.00  0.00           H  
HETATM   53  H   UNL     1       1.180   4.310  -2.286  1.00  0.00           H  
HETATM   54  H   UNL     1       2.336   5.602  -1.882  1.00  0.00           H  
HETATM   55  H   UNL     1       2.810  -1.114   0.556  1.00  0.00           H  
HETATM   56  H   UNL     1       3.178   0.349  -0.389  1.00  0.00           H  
HETATM   57  H   UNL     1       4.355   1.316   1.567  1.00  0.00           H  
HETATM   58  H   UNL     1       3.987  -0.146   2.512  1.00  0.00           H  
HETATM   59  H   UNL     1       5.969   1.251  -0.245  1.00  0.00           H  
HETATM   60  H   UNL     1       7.083  -3.357   1.093  1.00  0.00           H  
HETATM   61  H   UNL     1       5.092  -2.249   2.027  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    3    3    4                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6   35                                            
CONECT    6    7    5    9    9                                       
CONECT    7    8    8    6   36                                       
CONECT    8    7    7   11   37                                       
CONECT    9    6    6   10   38                                       
CONECT   10   11   11    9   39                                       
CONECT   11    8   12   10   10                                       
CONECT   12   13   11                                                 
CONECT   13   14   12   40   41                                       
CONECT   14   16   13   15   42                                       
CONECT   15   14   43                                                 
CONECT   16   17   14   44   45                                       
CONECT   17   16   18   22                                            
CONECT   18   19   17   46   47                                       
CONECT   19   20   18   48   49                                       
CONECT   20   21   19   50   51                                       
CONECT   21   20   52   53   54                                       
CONECT   22   17   23   55   56                                       
CONECT   23   22   24   57   58                                       
CONECT   24   23   31   31   25                                       
CONECT   25   24   26   26   59                                       
CONECT   26   25   25   28   27                                       
CONECT   27   26                                                      
CONECT   28   30   30   29   26                                       
CONECT   29   28                                                      
CONECT   30   31   28   28   60                                       
CONECT   31   24   24   30   61                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
