COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.957   3.256   1.645  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.796   2.712   0.854  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.785   2.021   1.499  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.719   1.521   0.778  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.662   1.713  -0.598  1.00  0.00           C  
HETATM    6  S   UNL     1      -6.304   1.076  -1.523  1.00  0.00           S  
HETATM    7  C   UNL     1      -5.349   0.304  -0.188  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.085  -0.335  -0.768  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.314  -0.958   0.310  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.112  -1.608   0.022  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.706  -1.772  -1.297  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.517  -2.415  -1.578  1.00  0.00           C  
HETATM   13  C   UNL     1       0.270  -2.897  -0.548  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.130  -2.736   0.766  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.316  -2.089   1.054  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.743  -1.917   2.461  1.00  0.00           N1+
HETATM   17  O   UNL     1      -2.298  -0.890   2.807  1.00  0.00           O1-
HETATM   18  O   UNL     1      -1.541  -2.803   3.271  1.00  0.00           O  
HETATM   19  S   UNL     1       1.786  -3.718  -0.911  1.00  0.00           S  
HETATM   20  O   UNL     1       1.660  -4.189  -2.246  1.00  0.00           O  
HETATM   21  O   UNL     1       2.068  -4.526   0.223  1.00  0.00           O  
HETATM   22  N   UNL     1       2.976  -2.567  -0.950  1.00  0.00           N  
HETATM   23  C   UNL     1       3.297  -1.891   0.172  1.00  0.00           C  
HETATM   24  O   UNL     1       2.713  -2.127   1.212  1.00  0.00           O  
HETATM   25  C   UNL     1       4.358  -0.864   0.137  1.00  0.00           C  
HETATM   26  C   UNL     1       4.691  -0.164   1.299  1.00  0.00           C  
HETATM   27  C   UNL     1       5.680   0.793   1.265  1.00  0.00           C  
HETATM   28  C   UNL     1       6.349   1.064   0.071  1.00  0.00           C  
HETATM   29  C   UNL     1       6.017   0.365  -1.090  1.00  0.00           C  
HETATM   30  C   UNL     1       5.033  -0.596  -1.057  1.00  0.00           C  
HETATM   31  C   UNL     1       7.413   2.096   0.036  1.00  0.00           C  
HETATM   32  C   UNL     1       8.570   1.881  -0.711  1.00  0.00           C  
HETATM   33  C   UNL     1       9.558   2.844  -0.741  1.00  0.00           C  
HETATM   34  C   UNL     1       9.401   4.022  -0.029  1.00  0.00           C  
HETATM   35  F   UNL     1      10.371   4.962  -0.061  1.00  0.00           F  
HETATM   36  C   UNL     1       8.253   4.240   0.715  1.00  0.00           C  
HETATM   37  C   UNL     1       7.257   3.286   0.746  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.679   2.407  -1.242  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.622   2.617  -2.733  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.745   2.899  -0.515  1.00  0.00           C  
HETATM   41  H   UNL     1     -10.727   4.268   1.979  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.848   3.275   1.016  1.00  0.00           H  
HETATM   43  H   UNL     1     -11.137   2.619   2.511  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.830   1.873   2.568  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.931   0.982   1.282  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.070   1.061   0.544  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.954  -0.463   0.296  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.364  -1.092  -1.501  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.480   0.432  -1.252  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.638  -0.919   1.223  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.321  -1.396  -2.102  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.202  -2.543  -2.603  1.00  0.00           H  
HETATM   53  H   UNL     1       0.487  -3.114   1.568  1.00  0.00           H  
HETATM   54  H   UNL     1       3.441  -2.378  -1.779  1.00  0.00           H  
HETATM   55  H   UNL     1       4.173  -0.373   2.223  1.00  0.00           H  
HETATM   56  H   UNL     1       5.938   1.335   2.164  1.00  0.00           H  
HETATM   57  H   UNL     1       6.535   0.576  -2.013  1.00  0.00           H  
HETATM   58  H   UNL     1       4.776  -1.138  -1.956  1.00  0.00           H  
HETATM   59  H   UNL     1       8.694   0.963  -1.266  1.00  0.00           H  
HETATM   60  H   UNL     1      10.455   2.679  -1.320  1.00  0.00           H  
HETATM   61  H   UNL     1       8.135   5.160   1.269  1.00  0.00           H  
HETATM   62  H   UNL     1       6.363   3.456   1.326  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.118   1.787  -3.237  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.124   3.550  -2.988  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.581   2.666  -3.054  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.536   3.439  -1.015  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    1    3    3   40                                       
CONECT    3    2    2    4   44                                       
CONECT    4    3    5    5   45                                       
CONECT    5    4    4    6   38                                       
CONECT    6    5    7                                                 
CONECT    7    6    8   46   47                                       
CONECT    8    7    9   48   49                                       
CONECT    9    8   10   50                                            
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   51                                       
CONECT   12   11   13   13   52                                       
CONECT   13   12   12   14   19                                       
CONECT   14   13   15   15   53                                       
CONECT   15   10   14   14   16                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16                                                      
CONECT   18   16   16                                                 
CONECT   19   13   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   54                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   26   30                                       
CONECT   26   25   25   27   55                                       
CONECT   27   26   28   28   56                                       
CONECT   28   27   27   29   31                                       
CONECT   29   28   30   30   57                                       
CONECT   30   25   29   29   58                                       
CONECT   31   28   32   32   37                                       
CONECT   32   31   31   33   59                                       
CONECT   33   32   34   34   60                                       
CONECT   34   33   33   35   36                                       
CONECT   35   34                                                      
CONECT   36   34   37   37   61                                       
CONECT   37   31   36   36   62                                       
CONECT   38    5   39   40   40                                       
CONECT   39   38   63   64   65                                       
CONECT   40    2   38   38   66                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   22                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   36                                                      
CONECT   62   37                                                      
CONECT   63   39                                                      
CONECT   64   39                                                      
CONECT   65   39                                                      
CONECT   66   40                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
