COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -6.849  -2.833   0.300  1.00  0.00           C  
HETATM    2  O   UNL     1      -6.928  -1.648   1.095  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.020  -0.773   0.588  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.244  -1.132  -0.504  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.322  -0.242  -1.017  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.478  -0.631  -2.204  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.172   1.008  -0.444  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.944   1.368   0.645  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.778   2.730   1.267  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.872   0.483   1.158  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.713   0.876   2.345  1.00  0.00           C  
HETATM   12  S   UNL     1      -2.995   2.142  -1.102  1.00  0.00           S  
HETATM   13  O   UNL     1      -3.453   3.434  -0.727  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.746   1.712  -2.433  1.00  0.00           O  
HETATM   15  N   UNL     1      -1.575   1.913  -0.282  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.856   0.643  -0.403  1.00  0.00           C  
HETATM   17  C   UNL     1       0.570   0.811   0.127  1.00  0.00           C  
HETATM   18  O   UNL     1       0.527   1.089   1.528  1.00  0.00           O  
HETATM   19  C   UNL     1       1.358  -0.478  -0.114  1.00  0.00           C  
HETATM   20  C   UNL     1       0.749  -1.611   0.715  1.00  0.00           C  
HETATM   21  C   UNL     1       1.479  -2.896   0.422  1.00  0.00           C  
HETATM   22  C   UNL     1       2.512  -3.308   1.243  1.00  0.00           C  
HETATM   23  C   UNL     1       3.181  -4.487   0.974  1.00  0.00           C  
HETATM   24  C   UNL     1       2.817  -5.255  -0.116  1.00  0.00           C  
HETATM   25  C   UNL     1       1.783  -4.844  -0.937  1.00  0.00           C  
HETATM   26  C   UNL     1       1.111  -3.667  -0.665  1.00  0.00           C  
HETATM   27  N   UNL     1       2.758  -0.277   0.285  1.00  0.00           N  
HETATM   28  C   UNL     1       3.452   0.285  -0.881  1.00  0.00           C  
HETATM   29  C   UNL     1       4.926   0.390  -0.586  1.00  0.00           C  
HETATM   30  C   UNL     1       5.768  -0.665  -0.883  1.00  0.00           C  
HETATM   31  C   UNL     1       7.120  -0.569  -0.612  1.00  0.00           C  
HETATM   32  C   UNL     1       7.631   0.583  -0.044  1.00  0.00           C  
HETATM   33  C   UNL     1       6.789   1.640   0.254  1.00  0.00           C  
HETATM   34 CL   UNL     1       7.430   3.087   0.967  1.00  0.00          Cl  
HETATM   35  C   UNL     1       5.437   1.544  -0.022  1.00  0.00           C  
HETATM   36  H   UNL     1      -5.841  -3.243   0.360  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.563  -3.568   0.671  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.082  -2.591  -0.737  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.360  -2.108  -0.952  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.927  -0.235  -3.115  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.474  -0.223  -2.086  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.423  -1.718  -2.269  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.373   3.458   0.715  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.114   2.699   2.304  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.728   3.020   1.234  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.631   1.352   1.999  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.962  -0.013   2.925  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.156   1.573   2.971  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.219   2.620   0.279  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.371  -0.123   0.177  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.822   0.343  -1.450  1.00  0.00           H  
HETATM   52  H   UNL     1       1.055   1.636  -0.393  1.00  0.00           H  
HETATM   53  H   UNL     1       0.091   0.336   1.949  1.00  0.00           H  
HETATM   54  H   UNL     1       1.315  -0.738  -1.171  1.00  0.00           H  
HETATM   55  H   UNL     1       0.841  -1.375   1.776  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.304  -1.724   0.458  1.00  0.00           H  
HETATM   57  H   UNL     1       2.796  -2.708   2.095  1.00  0.00           H  
HETATM   58  H   UNL     1       3.988  -4.808   1.615  1.00  0.00           H  
HETATM   59  H   UNL     1       3.340  -6.176  -0.327  1.00  0.00           H  
HETATM   60  H   UNL     1       1.499  -5.444  -1.789  1.00  0.00           H  
HETATM   61  H   UNL     1       0.304  -3.346  -1.307  1.00  0.00           H  
HETATM   62  H   UNL     1       2.757   0.439   0.995  1.00  0.00           H  
HETATM   63  H   UNL     1       3.300  -0.366  -1.743  1.00  0.00           H  
HETATM   64  H   UNL     1       3.053   1.275  -1.099  1.00  0.00           H  
HETATM   65  H   UNL     1       5.369  -1.565  -1.327  1.00  0.00           H  
HETATM   66  H   UNL     1       7.777  -1.394  -0.844  1.00  0.00           H  
HETATM   67  H   UNL     1       8.687   0.658   0.169  1.00  0.00           H  
HETATM   68  H   UNL     1       4.779   2.369   0.210  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   10                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   40   41   42                                       
CONECT    7    5    5    8   12                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8   43   44   45                                       
CONECT   10    3    8    8   11                                       
CONECT   11   10   46   47   48                                       
CONECT   12    7   13   13   14                                       
CONECT   12   14   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   16   49                                            
CONECT   16   15   17   50   51                                       
CONECT   17   16   18   19   52                                       
CONECT   18   17   53                                                 
CONECT   19   17   20   27   54                                       
CONECT   20   19   21   55   56                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   57                                       
CONECT   23   22   24   24   58                                       
CONECT   24   23   23   25   59                                       
CONECT   25   24   26   26   60                                       
CONECT   26   21   25   25   61                                       
CONECT   27   19   28   62                                            
CONECT   28   27   29   63   64                                       
CONECT   29   28   30   30   35                                       
CONECT   30   29   29   31   65                                       
CONECT   31   30   32   32   66                                       
CONECT   32   31   31   33   67                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33                                                      
CONECT   35   29   33   33   68                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   35                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
