COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.384  -3.341   2.000  1.00  0.00           O  
HETATM    2  S   UNL     1      -2.483  -2.488   1.714  1.00  0.00           S  
HETATM    3  O   UNL     1      -3.750  -3.021   1.352  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.668  -1.230   3.008  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.002  -1.637   0.377  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.641  -1.434   0.130  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.032  -0.265   0.556  1.00  0.00           C  
HETATM    8  C   UNL     1       1.319  -0.058   0.313  1.00  0.00           C  
HETATM    9  O   UNL     1       2.156   0.960   0.605  1.00  0.00           O  
HETATM   10  C   UNL     1       0.093  -2.412  -0.536  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.582  -3.679  -0.994  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.053  -5.002  -0.438  1.00  0.00           C  
HETATM   13  C   UNL     1       0.219  -4.620  -1.896  1.00  0.00           C  
HETATM   14  C   UNL     1       1.436  -2.222  -0.779  1.00  0.00           C  
HETATM   15  C   UNL     1       2.053  -1.045  -0.364  1.00  0.00           C  
HETATM   16  C   UNL     1       3.431  -0.524  -0.456  1.00  0.00           C  
HETATM   17  C   UNL     1       4.591  -1.185  -1.063  1.00  0.00           C  
HETATM   18  N   UNL     1       5.379  -1.984  -0.315  1.00  0.00           N  
HETATM   19  C   UNL     1       6.538  -2.644  -0.921  1.00  0.00           C  
HETATM   20  O   UNL     1       4.843  -1.013  -2.241  1.00  0.00           O  
HETATM   21  C   UNL     1       3.401   0.714   0.165  1.00  0.00           C  
HETATM   22  C   UNL     1       4.555   1.618   0.321  1.00  0.00           C  
HETATM   23  C   UNL     1       5.806   1.252  -0.184  1.00  0.00           C  
HETATM   24  C   UNL     1       6.881   2.102  -0.036  1.00  0.00           C  
HETATM   25  C   UNL     1       4.401   2.847   0.968  1.00  0.00           C  
HETATM   26  C   UNL     1       5.483   3.688   1.111  1.00  0.00           C  
HETATM   27  C   UNL     1       6.723   3.317   0.613  1.00  0.00           C  
HETATM   28  F   UNL     1       7.781   4.145   0.757  1.00  0.00           F  
HETATM   29  C   UNL     1      -3.002  -1.096  -0.547  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.303   0.358  -0.180  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.347   0.923  -1.145  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.582   0.229  -0.969  1.00  0.00           O  
HETATM   33  B   UNL     1      -6.582   1.164  -0.587  1.00  0.00           B  
HETATM   34  O   UNL     1      -7.946   0.877  -0.316  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.893   2.573  -0.521  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.363   3.844  -0.209  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.497   4.920  -0.238  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.169   4.732  -0.577  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.698   3.469  -0.888  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.553   2.386  -0.862  1.00  0.00           C  
HETATM   41  H   UNL     1      -1.760  -0.630   3.064  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.515  -0.587   2.771  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.841  -1.719   3.967  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.609   0.486   1.076  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.655  -3.601  -1.174  1.00  0.00           H  
HETATM   46  H   UNL     1       0.784  -4.956   0.258  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.777  -5.795  -0.252  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.327  -5.163  -2.668  1.00  0.00           H  
HETATM   49  H   UNL     1       1.234  -4.324  -2.158  1.00  0.00           H  
HETATM   50  H   UNL     1       2.005  -2.978  -1.299  1.00  0.00           H  
HETATM   51  H   UNL     1       5.179  -2.121   0.624  1.00  0.00           H  
HETATM   52  H   UNL     1       7.222  -1.891  -1.312  1.00  0.00           H  
HETATM   53  H   UNL     1       7.050  -3.243  -0.168  1.00  0.00           H  
HETATM   54  H   UNL     1       6.205  -3.289  -1.734  1.00  0.00           H  
HETATM   55  H   UNL     1       5.930   0.306  -0.689  1.00  0.00           H  
HETATM   56  H   UNL     1       7.848   1.821  -0.425  1.00  0.00           H  
HETATM   57  H   UNL     1       3.435   3.137   1.356  1.00  0.00           H  
HETATM   58  H   UNL     1       5.365   4.638   1.611  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.618  -1.142  -1.566  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.917  -1.685  -0.477  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.687   0.404   0.839  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.388   0.947  -0.250  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.002   0.795  -2.171  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.178  -0.057  -0.412  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.400   3.989   0.055  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.858   5.909   0.004  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.496   5.576  -0.598  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.660   3.330  -1.152  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    3    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2   41   42   43                                       
CONECT    5    6   29    2                                            
CONECT    6   10   10    7    5                                       
CONECT    7    8    8    6   44                                       
CONECT    8   15    9    7    7                                       
CONECT    9   21    8                                                 
CONECT   10   14   11    6    6                                       
CONECT   11   13   12   10   45                                       
CONECT   12   13   11   46   47                                       
CONECT   13   12   11   48   49                                       
CONECT   14   15   15   10   50                                       
CONECT   15   16   14   14    8                                       
CONECT   16   17   15   21   21                                       
CONECT   17   18   20   20   16                                       
CONECT   18   19   17   51                                            
CONECT   19   18   52   53   54                                       
CONECT   20   17   17                                                 
CONECT   21   16   16   22    9                                       
CONECT   22   23   21   25   25                                       
CONECT   23   24   24   22   55                                       
CONECT   24   23   23   27   56                                       
CONECT   25   22   22   26   57                                       
CONECT   26   27   27   25   58                                       
CONECT   27   24   28   26   26                                       
CONECT   28   27                                                      
CONECT   29   30    5   59   60                                       
CONECT   30   31   29   61   62                                       
CONECT   31   32   40   30   63                                       
CONECT   32   33   31                                                 
CONECT   33   34   32   35                                            
CONECT   34   33   64                                                 
CONECT   35   33   36   36   40                                       
CONECT   36   35   35   37   65                                       
CONECT   37   36   38   38   66                                       
CONECT   38   37   37   39   67                                       
CONECT   39   40   40   38   68                                       
CONECT   40   35   31   39   39                                       
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    7                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   34                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
