COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.063   3.145  -1.534  1.00  0.00           C  
HETATM    2  C   UNL     1       3.284   0.925  -0.648  1.00  0.00           C  
HETATM    3  C   UNL     1       4.687  -3.890   0.497  1.00  0.00           C  
HETATM    4  C   UNL     1       2.539  -4.591  -0.373  1.00  0.00           C  
HETATM    5  C   UNL     1       2.666   2.286   2.769  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.378  -2.326  -0.479  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.274  -1.054   0.164  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.060  -0.443   0.128  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.888   0.794   0.732  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.654   1.414   0.694  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.591   0.802   0.056  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.760  -0.431  -0.547  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.991  -1.057  -0.507  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.246   1.480   0.016  1.00  0.00           C  
HETATM   15  S   UNL     1      -0.573   1.424  -1.679  1.00  0.00           S  
HETATM   16  C   UNL     1       1.146   1.716  -1.415  1.00  0.00           C  
HETATM   17  C   UNL     1       1.713   2.935  -1.749  1.00  0.00           C  
HETATM   18  C   UNL     1       3.846   2.143  -0.990  1.00  0.00           C  
HETATM   19  C   UNL     1       1.931   0.712  -0.851  1.00  0.00           C  
HETATM   20  N   UNL     1       1.339  -0.509  -0.490  1.00  0.00           N  
HETATM   21  C   UNL     1       1.931  -1.772  -0.936  1.00  0.00           C  
HETATM   22  C   UNL     1       2.949  -2.252   0.101  1.00  0.00           C  
HETATM   23  N   UNL     1       3.543  -3.519  -0.346  1.00  0.00           N  
HETATM   24  C   UNL     1       0.232  -0.516   0.263  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.383  -1.551   0.409  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.258   0.735   0.929  1.00  0.00           C  
HETATM   27  O   UNL     1       0.873   1.599   1.218  1.00  0.00           O  
HETATM   28  C   UNL     1       1.485   1.426   2.400  1.00  0.00           C  
HETATM   29  O   UNL     1       1.089   0.581   3.168  1.00  0.00           O  
HETATM   30  H   UNL     1       3.509   4.093  -1.797  1.00  0.00           H  
HETATM   31  H   UNL     1       3.898   0.145  -0.224  1.00  0.00           H  
HETATM   32  H   UNL     1       5.109  -4.832   0.145  1.00  0.00           H  
HETATM   33  H   UNL     1       5.446  -3.110   0.444  1.00  0.00           H  
HETATM   34  H   UNL     1       4.356  -4.005   1.530  1.00  0.00           H  
HETATM   35  H   UNL     1       2.181  -4.779   0.640  1.00  0.00           H  
HETATM   36  H   UNL     1       1.703  -4.290  -1.004  1.00  0.00           H  
HETATM   37  H   UNL     1       2.989  -5.500  -0.774  1.00  0.00           H  
HETATM   38  H   UNL     1       2.317   3.180   3.286  1.00  0.00           H  
HETATM   39  H   UNL     1       3.334   1.725   3.423  1.00  0.00           H  
HETATM   40  H   UNL     1       3.202   2.576   1.865  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.396  -2.703  -0.377  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.134  -2.220  -1.536  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.684  -3.026  -0.014  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.718   1.272   1.231  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.519   2.377   1.164  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.929  -0.907  -1.046  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.122  -2.022  -0.974  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.343   2.515   0.343  1.00  0.00           H  
HETATM   49  H   UNL     1       1.103   3.719  -2.174  1.00  0.00           H  
HETATM   50  H   UNL     1       4.901   2.311  -0.832  1.00  0.00           H  
HETATM   51  H   UNL     1       1.148  -2.521  -1.050  1.00  0.00           H  
HETATM   52  H   UNL     1       2.431  -1.621  -1.893  1.00  0.00           H  
HETATM   53  H   UNL     1       3.733  -1.503   0.215  1.00  0.00           H  
HETATM   54  H   UNL     1       2.449  -2.403   1.058  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.758   0.474   1.862  1.00  0.00           H  
CONECT    1   17   18   18   30                                       
CONECT    2   19   19   18   31                                       
CONECT    3   23   32   33   34                                       
CONECT    4   23   35   36   37                                       
CONECT    5   28   38   39   40                                       
CONECT    6    7   41   42   43                                       
CONECT    7    8    6                                                 
CONECT    8    7   13   13    9                                       
CONECT    9    8   10   10   44                                       
CONECT   10    9    9   11   45                                       
CONECT   11   12   12   10   14                                       
CONECT   12   13   11   11   46                                       
CONECT   13    8    8   12   47                                       
CONECT   14   15   11   26   48                                       
CONECT   15   16   14                                                 
CONECT   16   15   17   17   19                                       
CONECT   17   16   16    1   49                                       
CONECT   18    1    1    2   50                                       
CONECT   19   16   20    2    2                                       
CONECT   20   21   19   24                                            
CONECT   21   22   20   51   52                                       
CONECT   22   23   21   53   54                                       
CONECT   23    3    4   22                                            
CONECT   24   20   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   14   24   27   55                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   29    5                                       
CONECT   29   28   28                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   26                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
