COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.432   3.952   1.128  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.386   4.954  -0.029  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.206   4.476  -1.099  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.814   3.193  -1.595  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.864   2.173  -0.454  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.002   2.632   0.644  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.977   1.653   1.739  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.293   0.370   1.260  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.922   0.643   0.965  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.167  -0.398   0.525  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.729  -1.651   0.378  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.960  -2.715  -0.072  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.588  -4.076  -0.227  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.445  -4.855   1.082  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.080  -6.238   0.924  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.071  -3.917  -0.567  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.214  -3.155  -1.886  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.932  -4.787  -1.279  1.00  0.00           O  
HETATM   19  C   UNL     1       0.372  -2.541  -0.380  1.00  0.00           C  
HETATM   20  C   UNL     1       0.962  -1.288  -0.240  1.00  0.00           C  
HETATM   21  N   UNL     1       2.238  -0.817  -0.463  1.00  0.00           N  
HETATM   22  C   UNL     1       0.186  -0.205   0.210  1.00  0.00           C  
HETATM   23  C   UNL     1       1.078   0.953   0.250  1.00  0.00           C  
HETATM   24  C   UNL     1       2.297   0.526  -0.164  1.00  0.00           C  
HETATM   25  C   UNL     1       3.504   1.372  -0.278  1.00  0.00           C  
HETATM   26  C   UNL     1       4.838   0.958  -0.019  1.00  0.00           C  
HETATM   27  S   UNL     1       5.801  -0.428   0.478  1.00  0.00           S  
HETATM   28  C   UNL     1       7.282   0.509   0.368  1.00  0.00           C  
HETATM   29  C   UNL     1       7.017   1.750  -0.014  1.00  0.00           C  
HETATM   30  C   UNL     1       5.664   2.038  -0.239  1.00  0.00           C  
HETATM   31  N   UNL     1       4.847   3.090  -0.625  1.00  0.00           N  
HETATM   32  N   UNL     1       3.526   2.634  -0.640  1.00  0.00           N  
HETATM   33  H   UNL     1      -3.764   4.284   1.924  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.450   3.885   1.512  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.759   5.920   0.312  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.359   5.062  -0.376  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.496   2.886  -2.388  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.799   3.249  -1.989  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.889   2.078  -0.096  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.512   1.207  -0.814  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.425   2.065   2.583  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.998   1.427   2.047  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.354  -0.387   2.041  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.793   0.006   0.362  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.771  -1.804   0.614  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.389  -4.966   1.325  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.948  -4.314   1.883  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.650  -6.738   0.056  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.887  -6.831   1.818  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.156  -6.130   0.785  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.529  -4.901  -0.664  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.569  -3.362   0.229  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.633  -3.657  -2.660  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.263  -3.129  -2.179  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.846  -2.137  -1.760  1.00  0.00           H  
HETATM   56  H   UNL     1       0.014  -4.924  -1.130  1.00  0.00           H  
HETATM   57  H   UNL     1       0.959  -3.377  -0.729  1.00  0.00           H  
HETATM   58  H   UNL     1       2.982  -1.350  -0.782  1.00  0.00           H  
HETATM   59  H   UNL     1       0.816   1.957   0.550  1.00  0.00           H  
HETATM   60  H   UNL     1       8.270   0.128   0.581  1.00  0.00           H  
HETATM   61  H   UNL     1       7.793   2.490  -0.143  1.00  0.00           H  
HETATM   62  H   UNL     1       5.142   3.987  -0.850  1.00  0.00           H  
CONECT    1    2    6   33   34                                       
CONECT    2    3    1   35   36                                       
CONECT    3    4    2                                                 
CONECT    4    3    5   37   38                                       
CONECT    5    4    6   39   40                                       
CONECT    6    5    1    7                                            
CONECT    7    6    8   41   42                                       
CONECT    8    7    9   43   44                                       
CONECT    9    8   10                                                 
CONECT   10   22    9   11   11                                       
CONECT   11   10   10   12   45                                       
CONECT   12   19   19   11   13                                       
CONECT   13   12   16   18   14                                       
CONECT   14   13   15   46   47                                       
CONECT   15   14   48   49   50                                       
CONECT   16   17   13   51   52                                       
CONECT   17   16   53   54   55                                       
CONECT   18   13   56                                                 
CONECT   19   20   12   12   57                                       
CONECT   20   21   22   22   19                                       
CONECT   21   24   20   58                                            
CONECT   22   23   20   20   10                                       
CONECT   23   24   24   22   59                                       
CONECT   24   25   23   23   21                                       
CONECT   25   26   32   32   24                                       
CONECT   26   30   30   27   25                                       
CONECT   27   28   26                                                 
CONECT   28   29   29   27   60                                       
CONECT   29   28   28   30   61                                       
CONECT   30   29   31   26   26                                       
CONECT   31   30   32   62                                            
CONECT   32   31   25   25                                            
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   31                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
