COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.061   0.856  -0.854  1.00  0.00           C  
HETATM    2  C   UNL     1       5.157  -0.802   0.018  1.00  0.00           C  
HETATM    3  C   UNL     1      10.117  -0.122   0.184  1.00  0.00           C  
HETATM    4  N   UNL     1       6.227  -1.586   0.444  1.00  0.00           N  
HETATM    5  O   UNL     1      -6.369   3.427   0.659  1.00  0.00           O  
HETATM    6  N   UNL     1       3.890  -1.112   0.147  1.00  0.00           N  
HETATM    7  C   UNL     1       9.064   0.750   0.390  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.543  -1.780  -0.160  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.172  -1.919  -0.176  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.357  -0.809   0.014  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.923   0.444   0.219  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.473  -1.166  -0.124  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.604  -0.482  -1.245  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.942  -0.830  -0.082  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.113  -0.524   0.040  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.294   0.587   0.235  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.357  -0.105   0.070  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.543   1.022   0.263  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.155   0.882   0.252  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.589  -0.370   0.052  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.407  -1.486  -0.139  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.779  -1.352  -0.124  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.153   2.347   0.474  1.00  0.00           C  
HETATM   24  C   UNL     1     -13.634  -0.204  -0.004  1.00  0.00           C  
HETATM   25  C   UNL     1     -12.950  -0.169  -1.206  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.626  -0.871   1.118  1.00  0.00           C  
HETATM   27  C   UNL     1     -12.974  -0.564   1.156  1.00  0.00           C  
HETATM   28  C   UNL     1       9.881  -1.479   0.063  1.00  0.00           C  
HETATM   29  C   UNL     1       8.593  -1.968   0.149  1.00  0.00           C  
HETATM   30  C   UNL     1       7.532  -1.095   0.357  1.00  0.00           C  
HETATM   31  C   UNL     1       7.773   0.268   0.482  1.00  0.00           C  
HETATM   32  C   UNL     1       1.808   0.037  -0.489  1.00  0.00           C  
HETATM   33  N   UNL     1       3.150  -0.056  -0.410  1.00  0.00           N  
HETATM   34  N   UNL     1       5.260   0.388  -0.587  1.00  0.00           N  
HETATM   35  N   UNL     1       3.776   2.053  -1.478  1.00  0.00           N  
HETATM   36  N   UNL     1      12.392   0.509   1.598  1.00  0.00           N  
HETATM   37  N   UNL     1       1.034  -0.953  -0.002  1.00  0.00           N  
HETATM   38  O   UNL     1      12.504  -0.467  -0.666  1.00  0.00           O  
HETATM   39  O   UNL     1      11.651   1.858  -0.331  1.00  0.00           O  
HETATM   40  O   UNL     1       1.296   1.014  -1.000  1.00  0.00           O  
HETATM   41  O   UNL     1      -8.362   2.466   0.482  1.00  0.00           O  
HETATM   42  O   UNL     1      -8.707   0.024   0.079  1.00  0.00           O  
HETATM   43  S   UNL     1      11.762   0.499   0.067  1.00  0.00           S  
HETATM   44  H   UNL     1       6.066  -2.474   0.802  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.814   4.275   0.794  1.00  0.00           H  
HETATM   46  H   UNL     1       9.251   1.810   0.479  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.176  -2.643  -0.308  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.730  -2.891  -0.335  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.289   1.304   0.370  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.242  -1.885   0.662  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.226  -1.596  -1.094  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.070  -0.451  -2.182  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.734   1.561   0.395  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.523   1.745   0.399  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.964  -2.459  -0.290  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.406  -2.218  -0.272  1.00  0.00           H  
HETATM   57  H   UNL     1     -14.686   0.036   0.025  1.00  0.00           H  
HETATM   58  H   UNL     1     -13.468   0.103  -2.114  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.109  -1.143   2.026  1.00  0.00           H  
HETATM   60  H   UNL     1     -13.507  -0.592   2.094  1.00  0.00           H  
HETATM   61  H   UNL     1      10.706  -2.158  -0.098  1.00  0.00           H  
HETATM   62  H   UNL     1       8.409  -3.028   0.051  1.00  0.00           H  
HETATM   63  H   UNL     1       6.952   0.949   0.648  1.00  0.00           H  
HETATM   64  H   UNL     1       2.854   2.310  -1.636  1.00  0.00           H  
HETATM   65  H   UNL     1       4.497   2.638  -1.759  1.00  0.00           H  
HETATM   66  H   UNL     1      13.345   0.389   1.731  1.00  0.00           H  
HETATM   67  H   UNL     1      11.808   0.637   2.362  1.00  0.00           H  
HETATM   68  H   UNL     1       1.441  -1.765   0.337  1.00  0.00           H  
CONECT    1   35   34   34   33                                       
CONECT    2   34    4    6    6                                       
CONECT    3   28   28    7   43                                       
CONECT    4    2   30   44                                            
CONECT    5   23   45                                                 
CONECT    6    2    2   33                                            
CONECT    7   31   31    3   46                                       
CONECT    8   15   15    9   47                                       
CONECT    9   10   10    8   48                                       
CONECT   10   11   37    9    9                                       
CONECT   11   16   16   10   49                                       
CONECT   12   14   42   50   51                                       
CONECT   13   25   25   14   52                                       
CONECT   14   13   12   26   26                                       
CONECT   15   16   20    8    8                                       
CONECT   16   11   11   15   53                                       
CONECT   17   22   42   18   18                                       
CONECT   18   17   17   19   23                                       
CONECT   19   20   20   18   54                                       
CONECT   20   21   15   19   19                                       
CONECT   21   22   22   20   55                                       
CONECT   22   21   21   17   56                                       
CONECT   23   18   41   41    5                                       
CONECT   24   25   27   27   57                                       
CONECT   25   13   13   24   58                                       
CONECT   26   14   14   27   59                                       
CONECT   27   24   24   26   60                                       
CONECT   28   29    3    3   61                                       
CONECT   29   30   30   28   62                                       
CONECT   30    4   29   29   31                                       
CONECT   31   30    7    7   63                                       
CONECT   32   33   40   40   37                                       
CONECT   33    1   32    6                                            
CONECT   34    1    1    2                                            
CONECT   35    1   64   65                                            
CONECT   36   43   66   67                                            
CONECT   37   32   10   68                                            
CONECT   38   43   43                                                 
CONECT   39   43   43                                                 
CONECT   40   32   32                                                 
CONECT   41   23   23                                                 
CONECT   42   12   17                                                 
CONECT   43   36    3   39   39                                       
CONECT   43   38   38                                                 
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   16                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
