COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.027   1.808 -10.875  1.00  0.00           C  
HETATM    2  S   UNL     1       3.219   0.434  -9.706  1.00  0.00           S  
HETATM    3  O   UNL     1       3.256  -0.787 -10.431  1.00  0.00           O  
HETATM    4  O   UNL     1       4.267   0.743  -8.797  1.00  0.00           O  
HETATM    5  C   UNL     1       1.630   0.559  -8.839  1.00  0.00           C  
HETATM    6  C   UNL     1       1.547  -0.529  -7.768  1.00  0.00           C  
HETATM    7  N   UNL     1       0.261  -0.429  -7.066  1.00  0.00           N  
HETATM    8  C   UNL     1       0.246  -1.496  -6.057  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.053  -1.449  -5.295  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.183  -2.103  -5.630  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.148  -1.785  -4.653  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.550  -0.939  -3.772  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.279  -0.745  -4.174  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.184  -0.339  -2.580  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.513   0.110  -2.648  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.118   0.665  -1.565  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.413   0.796  -0.359  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.974   1.339   0.731  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.292   1.449   1.846  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.038   1.044   1.968  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.387   0.493   0.952  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.081   0.074   1.091  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.462   0.117   2.346  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.199  -0.145   3.493  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.589  -0.103   4.731  1.00  0.00           C  
HETATM   26  C   UNL     1       0.760   0.201   4.829  1.00  0.00           C  
HETATM   27  O   UNL     1       1.361   0.242   6.049  1.00  0.00           O  
HETATM   28  C   UNL     1       0.355  -0.067   7.015  1.00  0.00           C  
HETATM   29  C   UNL     1       0.958  -0.038   8.396  1.00  0.00           C  
HETATM   30  C   UNL     1       0.966   1.138   9.122  1.00  0.00           C  
HETATM   31  C   UNL     1       1.519   1.166  10.388  1.00  0.00           C  
HETATM   32  C   UNL     1       2.065   0.018  10.930  1.00  0.00           C  
HETATM   33  C   UNL     1       2.059  -1.160  10.204  1.00  0.00           C  
HETATM   34  F   UNL     1       2.592  -2.283  10.733  1.00  0.00           F  
HETATM   35  C   UNL     1       1.499  -1.188   8.938  1.00  0.00           C  
HETATM   36  C   UNL     1       1.498   0.463   3.683  1.00  0.00           C  
HETATM   37 CL   UNL     1       3.187   0.844   3.807  1.00  0.00          Cl  
HETATM   38  C   UNL     1       0.889   0.417   2.444  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.072   0.346  -0.280  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.464  -0.227  -1.399  1.00  0.00           C  
HETATM   41  H   UNL     1       3.919   1.883 -11.497  1.00  0.00           H  
HETATM   42  H   UNL     1       2.158   1.629 -11.507  1.00  0.00           H  
HETATM   43  H   UNL     1       2.890   2.738 -10.323  1.00  0.00           H  
HETATM   44  H   UNL     1       1.549   1.539  -8.369  1.00  0.00           H  
HETATM   45  H   UNL     1       0.816   0.430  -9.552  1.00  0.00           H  
HETATM   46  H   UNL     1       1.629  -1.509  -8.238  1.00  0.00           H  
HETATM   47  H   UNL     1       2.361  -0.400  -7.055  1.00  0.00           H  
HETATM   48  H   UNL     1       0.273   0.445  -6.563  1.00  0.00           H  
HETATM   49  H   UNL     1       0.344  -2.463  -6.549  1.00  0.00           H  
HETATM   50  H   UNL     1       1.077  -1.354  -5.366  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.321  -2.753  -6.481  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.167  -2.141  -4.614  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.062   0.013  -3.573  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.141   1.006  -1.633  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.776   1.891   2.704  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.590  -0.249   0.319  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.250  -0.382   3.417  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.162  -0.307   5.623  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.447   0.667   6.954  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.046  -1.060   6.815  1.00  0.00           H  
HETATM   61  H   UNL     1       0.539   2.035   8.699  1.00  0.00           H  
HETATM   62  H   UNL     1       1.525   2.086  10.955  1.00  0.00           H  
HETATM   63  H   UNL     1       2.498   0.040  11.920  1.00  0.00           H  
HETATM   64  H   UNL     1       1.493  -2.107   8.370  1.00  0.00           H  
HETATM   65  H   UNL     1       1.463   0.620   1.552  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.443  -0.576  -1.347  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    1    3    3    4                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6   44   45                                       
CONECT    6    5    7   46   47                                       
CONECT    7    6    8   48                                            
CONECT    8    7    9   49   50                                       
CONECT    9    8   10   10   13                                       
CONECT   10    9    9   11   51                                       
CONECT   11   10   12   12   52                                       
CONECT   12   11   11   13   14                                       
CONECT   13    9   12                                                 
CONECT   14   12   15   40   40                                       
CONECT   15   14   16   16   53                                       
CONECT   16   15   15   17   54                                       
CONECT   17   16   18   18   39                                       
CONECT   18   17   17   19                                            
CONECT   19   18   20   20   55                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   39   39                                       
CONECT   22   21   23   56                                            
CONECT   23   22   24   24   38                                       
CONECT   24   23   23   25   57                                       
CONECT   25   24   26   26   58                                       
CONECT   26   25   25   27   36                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   59   60                                       
CONECT   29   28   30   30   35                                       
CONECT   30   29   29   31   61                                       
CONECT   31   30   32   32   62                                       
CONECT   32   31   31   33   63                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33                                                      
CONECT   35   29   33   33   64                                       
CONECT   36   26   37   38   38                                       
CONECT   37   36                                                      
CONECT   38   23   36   36   65                                       
CONECT   39   17   21   21   40                                       
CONECT   40   14   14   39   66                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   19                                                      
CONECT   56   22                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   35                                                      
CONECT   65   38                                                      
CONECT   66   40                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
