COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.829  -0.751   0.327  1.00  0.00           C  
HETATM    2  C   UNL     1       0.657   0.705   0.152  1.00  0.00           C  
HETATM    3  C   UNL     1       7.228   0.695   0.022  1.00  0.00           C  
HETATM    4  C   UNL     1       6.267   1.648   0.739  1.00  0.00           C  
HETATM    5  C   UNL     1       1.980   2.531  -1.474  1.00  0.00           C  
HETATM    6  C   UNL     1       4.431  -0.078   0.523  1.00  0.00           C  
HETATM    7  C   UNL     1       5.413  -1.011  -0.193  1.00  0.00           C  
HETATM    8  C   UNL     1       4.063   2.250  -0.140  1.00  0.00           C  
HETATM    9  C   UNL     1       2.649   1.924  -0.408  1.00  0.00           C  
HETATM   10  C   UNL     1       0.663   2.220  -1.725  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.006   1.311  -0.911  1.00  0.00           C  
HETATM   12  N   UNL     1       4.890   1.308   0.356  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.342   1.007  -1.160  1.00  0.00           N  
HETATM   14  C   UNL     1       9.156  -1.443   0.147  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.803   1.067   1.131  1.00  0.00           N  
HETATM   16  O   UNL     1       4.482   3.369  -0.365  1.00  0.00           O  
HETATM   17  N   UNL     1       7.768  -1.667  -0.333  1.00  0.00           N  
HETATM   18  C   UNL     1       7.480  -3.078   0.030  1.00  0.00           C  
HETATM   19  C   UNL     1       8.796  -3.832  -0.260  1.00  0.00           C  
HETATM   20  C   UNL     1       9.899  -2.756  -0.183  1.00  0.00           C  
HETATM   21  C   UNL     1       1.976   1.007   0.405  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.222   0.832  -0.104  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.458   0.435  -0.355  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.329   0.257   0.639  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.914   0.498   1.954  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.612   0.912   2.167  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.710  -0.186   0.357  1.00  0.00           C  
HETATM   28  S   UNL     1      -6.936  -0.442   1.583  1.00  0.00           S  
HETATM   29  C   UNL     1      -8.136  -0.908   0.384  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.574  -0.854  -0.896  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.186  -0.437  -0.862  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.472  -1.293   0.539  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.230  -1.618  -0.561  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.675  -1.566  -1.833  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.378  -1.193  -2.008  1.00  0.00           C  
HETATM   36  H   UNL     1       6.857  -0.916   1.404  1.00  0.00           H  
HETATM   37  H   UNL     1       0.135   0.000   0.782  1.00  0.00           H  
HETATM   38  H   UNL     1       8.245   0.873   0.371  1.00  0.00           H  
HETATM   39  H   UNL     1       7.176   0.868  -1.053  1.00  0.00           H  
HETATM   40  H   UNL     1       6.383   1.540   1.818  1.00  0.00           H  
HETATM   41  H   UNL     1       6.485   2.675   0.447  1.00  0.00           H  
HETATM   42  H   UNL     1       2.499   3.237  -2.106  1.00  0.00           H  
HETATM   43  H   UNL     1       3.438  -0.189   0.087  1.00  0.00           H  
HETATM   44  H   UNL     1       4.396  -0.328   1.583  1.00  0.00           H  
HETATM   45  H   UNL     1       5.379  -0.822  -1.265  1.00  0.00           H  
HETATM   46  H   UNL     1       5.139  -2.047   0.004  1.00  0.00           H  
HETATM   47  H   UNL     1       0.146   2.689  -2.549  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.656   0.917  -2.074  1.00  0.00           H  
HETATM   49  H   UNL     1       9.611  -0.606  -0.383  1.00  0.00           H  
HETATM   50  H   UNL     1       9.163  -1.263   1.222  1.00  0.00           H  
HETATM   51  H   UNL     1       7.224  -3.154   1.087  1.00  0.00           H  
HETATM   52  H   UNL     1       6.671  -3.472  -0.586  1.00  0.00           H  
HETATM   53  H   UNL     1       8.965  -4.602   0.493  1.00  0.00           H  
HETATM   54  H   UNL     1       8.766  -4.276  -1.255  1.00  0.00           H  
HETATM   55  H   UNL     1      10.411  -2.671  -1.141  1.00  0.00           H  
HETATM   56  H   UNL     1      10.609  -2.998   0.607  1.00  0.00           H  
HETATM   57  H   UNL     1       2.490   0.536   1.230  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.594   0.365   2.782  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.259   1.107   3.169  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.586  -0.333  -1.755  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.909  -1.335   1.525  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.261  -1.915  -0.435  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.278  -1.824  -2.691  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.961  -1.157  -3.003  1.00  0.00           H  
CONECT    1   17    3    7   36                                       
CONECT    2   21   21   11   37                                       
CONECT    3    1    4   38   39                                       
CONECT    4    3   12   40   41                                       
CONECT    5    9    9   10   42                                       
CONECT    6    7   12   43   44                                       
CONECT    7    1    6   45   46                                       
CONECT    8   12   16   16    9                                       
CONECT    9    8    5    5   21                                       
CONECT   10    5   11   11   47                                       
CONECT   11   10   10    2   13                                       
CONECT   12    4    6    8                                            
CONECT   13   11   22   48                                            
CONECT   14   20   17   49   50                                       
CONECT   15   22   26   26                                            
CONECT   16    8    8                                                 
CONECT   17   14   18    1                                            
CONECT   18   19   17   51   52                                       
CONECT   19   20   18   53   54                                       
CONECT   20   14   19   55   56                                       
CONECT   21    9    2    2   57                                       
CONECT   22   13   23   23   15                                       
CONECT   23   22   22   24                                            
CONECT   24   27   23   25   25                                       
CONECT   25   24   24   26   58                                       
CONECT   26   15   15   25   59                                       
CONECT   27   28   31   31   24                                       
CONECT   28   29   27                                                 
CONECT   29   32   28   30   30                                       
CONECT   30   29   29   35   31                                       
CONECT   31   30   27   27   60                                       
CONECT   32   33   33   29   61                                       
CONECT   33   32   32   34   62                                       
CONECT   34   33   35   35   63                                       
CONECT   35   34   34   30   64                                       
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47   10                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
