COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.189   0.582  -1.310  1.00  0.00           C  
HETATM    2  C   UNL     1       1.172   0.198   0.170  1.00  0.00           C  
HETATM    3  C   UNL     1       1.842   1.283   0.991  1.00  0.00           C  
HETATM    4  C   UNL     1       3.240   1.506   0.394  1.00  0.00           C  
HETATM    5  C   UNL     1       4.062   0.220   0.385  1.00  0.00           C  
HETATM    6  C   UNL     1       5.388   0.470  -0.340  1.00  0.00           C  
HETATM    7  C   UNL     1       5.062   0.882  -1.777  1.00  0.00           C  
HETATM    8  C   UNL     1       6.135   1.591   0.297  1.00  0.00           C  
HETATM    9  C   UNL     1       7.389   1.505   0.712  1.00  0.00           C  
HETATM   10  C   UNL     1       8.126   0.239   0.562  1.00  0.00           C  
HETATM   11  O   UNL     1       9.291   0.153   0.903  1.00  0.00           O  
HETATM   12  C   UNL     1       7.422  -0.919  -0.010  1.00  0.00           C  
HETATM   13  C   UNL     1       6.164  -0.811  -0.414  1.00  0.00           C  
HETATM   14  C   UNL     1       5.463  -2.038  -0.967  1.00  0.00           C  
HETATM   15  C   UNL     1       4.139  -2.211  -0.216  1.00  0.00           C  
HETATM   16  C   UNL     1       3.317  -0.925  -0.320  1.00  0.00           C  
HETATM   17  C   UNL     1       1.986  -1.106   0.385  1.00  0.00           C  
HETATM   18  C   UNL     1       1.052  -2.159  -0.223  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.348  -1.714   0.280  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.242  -0.194   0.586  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.274   0.585  -0.233  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.130   2.080   0.055  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.661   0.132   0.145  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.809  -0.729   0.987  1.00  0.00           O  
HETATM   25  S   UNL     1      -4.026   0.832  -0.613  1.00  0.00           S  
HETATM   26  C   UNL     1      -5.350  -0.079   0.220  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.706   0.392  -0.312  1.00  0.00           C  
HETATM   28  N   UNL     1      -7.777  -0.345   0.362  1.00  0.00           N  
HETATM   29  C   UNL     1      -9.065  -0.095   0.053  1.00  0.00           C  
HETATM   30  O   UNL     1      -9.337   0.739  -0.784  1.00  0.00           O  
HETATM   31  C   UNL     1     -10.167  -0.854   0.746  1.00  0.00           C  
HETATM   32  C   UNL     1     -11.523  -0.383   0.215  1.00  0.00           C  
HETATM   33  H   UNL     1       2.219   0.728  -1.636  1.00  0.00           H  
HETATM   34  H   UNL     1       0.731  -0.213  -1.898  1.00  0.00           H  
HETATM   35  H   UNL     1       0.629   1.507  -1.452  1.00  0.00           H  
HETATM   36  H   UNL     1       1.262   2.204   0.932  1.00  0.00           H  
HETATM   37  H   UNL     1       1.928   0.964   2.030  1.00  0.00           H  
HETATM   38  H   UNL     1       3.136   1.868  -0.629  1.00  0.00           H  
HETATM   39  H   UNL     1       3.763   2.258   0.984  1.00  0.00           H  
HETATM   40  H   UNL     1       4.266  -0.082   1.412  1.00  0.00           H  
HETATM   41  H   UNL     1       4.458   1.790  -1.767  1.00  0.00           H  
HETATM   42  H   UNL     1       5.988   1.067  -2.321  1.00  0.00           H  
HETATM   43  H   UNL     1       4.507   0.082  -2.267  1.00  0.00           H  
HETATM   44  H   UNL     1       5.621   2.532   0.428  1.00  0.00           H  
HETATM   45  H   UNL     1       7.871   2.362   1.159  1.00  0.00           H  
HETATM   46  H   UNL     1       7.934  -1.866  -0.101  1.00  0.00           H  
HETATM   47  H   UNL     1       5.267  -1.901  -2.031  1.00  0.00           H  
HETATM   48  H   UNL     1       6.089  -2.918  -0.819  1.00  0.00           H  
HETATM   49  H   UNL     1       3.579  -3.036  -0.654  1.00  0.00           H  
HETATM   50  H   UNL     1       4.343  -2.427   0.833  1.00  0.00           H  
HETATM   51  H   UNL     1       3.162  -0.672  -1.369  1.00  0.00           H  
HETATM   52  H   UNL     1       2.139  -1.289   1.449  1.00  0.00           H  
HETATM   53  H   UNL     1       1.097  -2.131  -1.312  1.00  0.00           H  
HETATM   54  H   UNL     1       1.299  -3.154   0.147  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.096  -1.888  -0.493  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.611  -2.260   1.186  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.389  -0.013   1.651  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.109   0.401  -1.294  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.127   2.408  -0.218  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.865   2.635  -0.528  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.295   2.263   1.117  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.235  -1.145   0.026  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.298   0.104   1.293  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.821   1.459  -0.118  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.759   0.210  -1.385  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.560  -1.013   1.031  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.052  -1.921   0.553  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.115  -0.672   1.819  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.638   0.683   0.408  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.575  -0.566  -0.859  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.320  -0.932   0.716  1.00  0.00           H  
CONECT    1    2   33   34   35                                       
CONECT    2    1   20    3   17                                       
CONECT    3    2    4   36   37                                       
CONECT    4    3    5   38   39                                       
CONECT    5    4   16    6   40                                       
CONECT    6    5    7    8   13                                       
CONECT    7    6   41   42   43                                       
CONECT    8    6    9    9   44                                       
CONECT    9    8    8   10   45                                       
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   13   13   10   46                                       
CONECT   13    6   14   12   12                                       
CONECT   14   15   13   47   48                                       
CONECT   15   16   14   49   50                                       
CONECT   16   17    5   15   51                                       
CONECT   17    2   18   16   52                                       
CONECT   18   19   17   53   54                                       
CONECT   19   20   18   55   56                                       
CONECT   20   21   19    2   57                                       
CONECT   21   23   22   20   58                                       
CONECT   22   21   59   60   61                                       
CONECT   23   25   24   24   21                                       
CONECT   24   23   23                                                 
CONECT   25   26   23                                                 
CONECT   26   27   25   62   63                                       
CONECT   27   28   26   64   65                                       
CONECT   28   29   27   66                                            
CONECT   29   31   30   30   28                                       
CONECT   30   29   29                                                 
CONECT   31   32   29   67   68                                       
CONECT   32   31   69   70   71                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
