COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.593   0.159  -1.358  1.00  0.00           C  
HETATM    2  C   UNL     1       3.793  -0.072   0.212  1.00  0.00           C  
HETATM    3  C   UNL     1       3.263  -1.354   0.210  1.00  0.00           C  
HETATM    4  C   UNL     1       2.060  -1.607  -0.446  1.00  0.00           C  
HETATM    5  C   UNL     1       3.127   0.957  -0.441  1.00  0.00           C  
HETATM    6  C   UNL     1       0.063  -4.759  -0.195  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.085  -4.705   0.631  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.949  -0.697   2.863  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.874   4.739  -0.177  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.731   5.687  -0.976  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.133   3.409   0.072  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.220   2.504  -0.301  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.181   0.328  -0.212  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.940  -0.696  -1.118  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.952  -1.573  -1.453  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.206  -1.433  -0.887  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.450  -0.414   0.015  1.00  0.00           C  
HETATM   18  S   UNL     1       6.169   1.093   0.138  1.00  0.00           S  
HETATM   19  O   UNL     1       7.252   1.079   1.058  1.00  0.00           O  
HETATM   20  O   UNL     1       5.512   2.307  -0.201  1.00  0.00           O  
HETATM   21  N   UNL     1       4.996   0.185   0.874  1.00  0.00           N  
HETATM   22  C   UNL     1       1.394  -0.571  -1.099  1.00  0.00           C  
HETATM   23  C   UNL     1       1.929   0.707  -1.095  1.00  0.00           C  
HETATM   24  O   UNL     1       1.280   1.717  -1.731  1.00  0.00           O  
HETATM   25  C   UNL     1       1.490  -2.975  -0.450  1.00  0.00           C  
HETATM   26  C   UNL     1       2.108  -4.110  -0.859  1.00  0.00           C  
HETATM   27  N   UNL     1       1.261  -5.174  -0.711  1.00  0.00           N  
HETATM   28  N   UNL     1      -1.069  -5.379   0.136  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.046  -3.399   0.826  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.960  -2.693   0.527  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.923  -1.326   0.734  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.071  -0.645   1.339  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.099   0.792   0.886  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.127   1.569   1.229  1.00  0.00           N  
HETATM   35  N   UNL     1      -1.096   2.913   0.839  1.00  0.00           N  
HETATM   36  C   UNL     1      -0.217   3.910   1.059  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.660   5.038   0.447  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.155   2.894  -0.976  1.00  0.00           O  
HETATM   39  N   UNL     1      -3.159   1.223   0.125  1.00  0.00           N  
HETATM   40  C   UNL     1      -5.442   0.467   0.355  1.00  0.00           C  
HETATM   41  C   UNL     1       0.148  -3.369  -0.003  1.00  0.00           C  
HETATM   42  H   UNL     1       7.304   0.731  -1.955  1.00  0.00           H  
HETATM   43  H   UNL     1       7.039  -0.795  -1.077  1.00  0.00           H  
HETATM   44  H   UNL     1       5.690  -0.020  -1.942  1.00  0.00           H  
HETATM   45  H   UNL     1       3.781  -2.154   0.717  1.00  0.00           H  
HETATM   46  H   UNL     1       3.541   1.955  -0.438  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.987  -5.241   0.887  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.754  -0.115   3.312  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.019  -1.732   3.198  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.988  -0.282   3.165  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.447   6.175  -0.314  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.099   6.440  -1.446  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.268   5.131  -1.745  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.961  -0.806  -1.561  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.765  -2.369  -2.158  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.996  -2.120  -1.151  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.431  -0.306   0.455  1.00  0.00           H  
HETATM   58  H   UNL     1       5.144  -0.168   1.765  1.00  0.00           H  
HETATM   59  H   UNL     1       0.462  -0.765  -1.609  1.00  0.00           H  
HETATM   60  H   UNL     1       1.478   1.778  -2.676  1.00  0.00           H  
HETATM   61  H   UNL     1       3.115  -4.166  -1.245  1.00  0.00           H  
HETATM   62  H   UNL     1       1.478  -6.091  -0.940  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.138  -0.817   0.478  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.991  -1.141   1.031  1.00  0.00           H  
HETATM   65  H   UNL     1       0.697   3.824   1.629  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.165   5.998   0.447  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.633   1.262   1.060  1.00  0.00           H  
CONECT    1   18   42   43   44                                       
CONECT    2   21    5    5    3                                       
CONECT    3    2    4    4   45                                       
CONECT    4    3    3   22   25                                       
CONECT    5    2    2   23   46                                       
CONECT    6   27   41   41   28                                       
CONECT    7   28   28   29   47                                       
CONECT    8   32   48   49   50                                       
CONECT    9   37   10   11   11                                       
CONECT   10    9   51   52   53                                       
CONECT   11    9    9   35   12                                       
CONECT   12   11   38   38   39                                       
CONECT   13   39   40   40   14                                       
CONECT   14   13   15   15   54                                       
CONECT   15   14   14   16   55                                       
CONECT   16   17   17   15   56                                       
CONECT   17   40   16   16   57                                       
CONECT   18    1   19   19   20                                       
CONECT   18   20   21                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18    2   58                                            
CONECT   22   23   23    4   59                                       
CONECT   23    5   24   22   22                                       
CONECT   24   23   60                                                 
CONECT   25   26   26    4   41                                       
CONECT   26   27   25   25   61                                       
CONECT   27   26    6   62                                            
CONECT   28    6    7    7                                            
CONECT   29   30   30    7                                            
CONECT   30   41   31   29   29                                       
CONECT   31   30   32   63                                            
CONECT   32   33   31    8   64                                       
CONECT   33   34   34   39   32                                       
CONECT   34   35   33   33                                            
CONECT   35   36   11   34                                            
CONECT   36   37   37   35   65                                       
CONECT   37   36   36    9   66                                       
CONECT   38   12   12                                                 
CONECT   39   12   33   13                                            
CONECT   40   13   13   17   67                                       
CONECT   41   25    6    6   30                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   24                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   40                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
