COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.092   2.165  -1.932  1.00  0.00           O  
HETATM    2  S   UNL     1      -3.997   1.577  -1.243  1.00  0.00           S  
HETATM    3  O   UNL     1      -2.938   0.897  -1.904  1.00  0.00           O  
HETATM    4  N   UNL     1      -3.295   2.789  -0.360  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.879   2.855   0.031  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.693   4.142   0.862  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.128   4.438   1.371  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.985   3.984   0.160  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.687   0.429  -0.098  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.057   0.256  -0.035  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.599  -0.645   0.864  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.770  -1.372   1.698  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.400  -1.199   1.633  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.858  -0.302   0.732  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.365  -0.117   0.659  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.721  -1.418   0.464  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.351  -1.491   0.268  1.00  0.00           C  
HETATM   18  N   UNL     1       0.401  -0.399   0.352  1.00  0.00           N  
HETATM   19  C   UNL     1       1.711  -0.466   0.165  1.00  0.00           C  
HETATM   20  N   UNL     1       2.316  -1.611  -0.111  1.00  0.00           N  
HETATM   21  C   UNL     1       1.627  -2.739  -0.209  1.00  0.00           C  
HETATM   22  C   UNL     1       0.260  -2.715  -0.015  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.555  -3.979  -0.113  1.00  0.00           C  
HETATM   24  F   UNL     1       0.294  -5.062  -0.370  1.00  0.00           F  
HETATM   25  F   UNL     1      -1.231  -4.192   1.092  1.00  0.00           F  
HETATM   26  F   UNL     1      -1.482  -3.856  -1.154  1.00  0.00           F  
HETATM   27  N   UNL     1       2.466   0.691   0.260  1.00  0.00           N  
HETATM   28  C   UNL     1       3.840   0.655  -0.014  1.00  0.00           C  
HETATM   29  C   UNL     1       4.290   0.050  -1.196  1.00  0.00           C  
HETATM   30  C   UNL     1       5.626  -0.020  -1.528  1.00  0.00           C  
HETATM   31  C   UNL     1       6.594   0.520  -0.681  1.00  0.00           C  
HETATM   32  N   UNL     1       7.933   0.595  -0.747  1.00  0.00           N  
HETATM   33  C   UNL     1       6.147   1.166   0.575  1.00  0.00           C  
HETATM   34  C   UNL     1       4.714   1.215   0.871  1.00  0.00           C  
HETATM   35  C   UNL     1       7.267   1.605   1.212  1.00  0.00           C  
HETATM   36  C   UNL     1       8.420   1.219   0.329  1.00  0.00           C  
HETATM   37  O   UNL     1       9.593   1.439   0.554  1.00  0.00           O  
HETATM   38  H   UNL     1      -1.620   1.984   0.634  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.250   2.893  -0.858  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.016   3.967   1.698  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.330   4.956   0.235  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.357   3.850   2.259  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.262   5.503   1.564  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.016   4.764  -0.600  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.994   3.728   0.484  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.704   0.824  -0.686  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.669  -0.780   0.914  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.194  -2.075   2.400  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.753  -1.767   2.286  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.120   0.538  -0.178  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.007   0.330   1.587  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.253  -2.229   0.472  1.00  0.00           H  
HETATM   53  H   UNL     1       2.130  -3.668  -0.434  1.00  0.00           H  
HETATM   54  H   UNL     1       2.044   1.526   0.516  1.00  0.00           H  
HETATM   55  H   UNL     1       3.563  -0.378  -1.871  1.00  0.00           H  
HETATM   56  H   UNL     1       5.925  -0.497  -2.449  1.00  0.00           H  
HETATM   57  H   UNL     1       4.355   1.683   1.776  1.00  0.00           H  
HETATM   58  H   UNL     1       7.317   2.123   2.158  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    9                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5    8                                            
CONECT    5    4    6   38   39                                       
CONECT    6    5    7   40   41                                       
CONECT    7    6    8   42   43                                       
CONECT    8    4    7   44   45                                       
CONECT    9    2   10   10   14                                       
CONECT   10    9    9   11   46                                       
CONECT   11   10   12   12   47                                       
CONECT   12   11   11   13   48                                       
CONECT   13   12   14   14   49                                       
CONECT   14    9   13   13   15                                       
CONECT   15   14   16   50   51                                       
CONECT   16   15   17   52                                            
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19                                            
CONECT   19   18   20   20   27                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   22   53                                       
CONECT   22   17   21   21   23                                       
CONECT   23   22   24   25   26                                       
CONECT   24   23                                                      
CONECT   25   23                                                      
CONECT   26   23                                                      
CONECT   27   19   28   54                                            
CONECT   28   27   29   34   34                                       
CONECT   29   28   30   30   55                                       
CONECT   30   29   29   31   56                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31   36                                            
CONECT   33   31   34   35   35                                       
CONECT   34   28   28   33   57                                       
CONECT   35   33   33   36   58                                       
CONECT   36   32   35   37   37                                       
CONECT   37   36   36                                                 
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   21                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
