COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.026   0.750   0.106  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.523   2.729   2.093  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.467   1.922   3.391  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.626   4.220   2.423  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.395   0.719  -0.051  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.718   0.054  -0.368  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.852  -2.167   0.769  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.445  -2.951  -0.501  1.00  0.00           C  
HETATM    9  C   UNL     1       2.168   0.502   0.778  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.734  -3.130   1.532  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.587  -4.414  -0.027  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.215   1.008   0.840  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.254   2.474   1.278  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.634  -0.907   0.392  1.00  0.00           C  
HETATM   15  O   UNL     1       2.150   0.401   1.989  1.00  0.00           O  
HETATM   16  O   UNL     1      -5.482  -2.820   2.435  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.509   1.299  -0.772  1.00  0.00           C  
HETATM   18  C   UNL     1       4.517   0.100   0.896  1.00  0.00           C  
HETATM   19  C   UNL     1       5.727  -0.023  -0.032  1.00  0.00           C  
HETATM   20  C   UNL     1       8.481  -0.462  -0.266  1.00  0.00           C  
HETATM   21  C   UNL     1       8.172  -0.290  -1.610  1.00  0.00           C  
HETATM   22  C   UNL     1       9.169  -0.369  -2.562  1.00  0.00           C  
HETATM   23  C   UNL     1      10.474  -0.620  -2.180  1.00  0.00           C  
HETATM   24  C   UNL     1      10.786  -0.792  -0.843  1.00  0.00           C  
HETATM   25  C   UNL     1       9.794  -0.714   0.114  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.598   0.444   0.492  1.00  0.00           N  
HETATM   27  N   UNL     1      -4.570  -4.379   1.063  1.00  0.00           N  
HETATM   28  O   UNL     1      -3.630   2.242  -1.390  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.263   0.733  -1.256  1.00  0.00           O  
HETATM   30  O   UNL     1       3.327   0.366   0.108  1.00  0.00           O  
HETATM   31  S   UNL     1       7.214  -0.355   0.953  1.00  0.00           S  
HETATM   32  S   UNL     1      -5.814   0.834  -1.942  1.00  0.00           S  
HETATM   33  H   UNL     1       1.027   0.762  -0.864  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.394   2.425   1.513  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.321   2.181   4.017  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.496   0.858   3.159  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.544   2.153   3.923  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.666   4.795   1.498  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.530   4.402   3.003  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.754   4.524   3.003  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.335  -0.440  -1.262  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.971  -1.909   1.357  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.126  -2.740  -1.325  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.415  -2.730  -0.781  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.950  -5.041  -0.842  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.631  -4.787   0.340  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.257   0.365   1.719  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.252   3.116   0.397  1.00  0.00           H  
HETATM   49  H   UNL     1       0.621   2.693   1.890  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.999  -0.422   1.298  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.479  -1.180  -0.240  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.958   1.748   0.114  1.00  0.00           H  
HETATM   53  H   UNL     1       4.387  -0.831   1.448  1.00  0.00           H  
HETATM   54  H   UNL     1       4.679   0.918   1.597  1.00  0.00           H  
HETATM   55  H   UNL     1       5.566  -0.841  -0.734  1.00  0.00           H  
HETATM   56  H   UNL     1       5.858   0.908  -0.584  1.00  0.00           H  
HETATM   57  H   UNL     1       7.153  -0.094  -1.909  1.00  0.00           H  
HETATM   58  H   UNL     1       8.929  -0.235  -3.606  1.00  0.00           H  
HETATM   59  H   UNL     1      11.252  -0.682  -2.927  1.00  0.00           H  
HETATM   60  H   UNL     1      11.806  -0.989  -0.549  1.00  0.00           H  
HETATM   61  H   UNL     1      10.038  -0.848   1.158  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.722   0.504   1.452  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.041  -5.157   1.401  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.905   2.536  -0.821  1.00  0.00           H  
HETATM   65  O   UNL     1      -5.323  -0.102  -2.892  1.00  0.00           O  
HETATM   66  O   UNL     1      -6.805   0.035  -1.107  1.00  0.00           O  
HETATM   67  O   UNL     1      -6.547   1.980  -2.354  1.00  0.00           O  
HETATM   68  H   UNL     1      -7.570  -0.286  -1.605  1.00  0.00           H  
CONECT    1   12    9   33                                            
CONECT    2    3    4   13   34                                       
CONECT    3    2   35   36   37                                       
CONECT    4    2   38   39   40                                       
CONECT    5   12   29   29   26                                       
CONECT    6   26   17   14   41                                       
CONECT    7   14    8   10   42                                       
CONECT    8    7   11   43   44                                       
CONECT    9    1   30   15   15                                       
CONECT   10    7   16   16   27                                       
CONECT   11    8   27   45   46                                       
CONECT   12   13    1    5   47                                       
CONECT   13    2   12   48   49                                       
CONECT   14    6    7   50   51                                       
CONECT   15    9    9                                                 
CONECT   16   10   10                                                 
CONECT   17   32    6   28   52                                       
CONECT   18   19   30   53   54                                       
CONECT   19   31   18   55   56                                       
CONECT   20   21   31   25   25                                       
CONECT   21   22   22   20   57                                       
CONECT   22   21   21   23   58                                       
CONECT   23   22   24   24   59                                       
CONECT   24   23   23   25   60                                       
CONECT   25   20   20   24   61                                       
CONECT   26    5    6   62                                            
CONECT   27   10   11   63                                            
CONECT   28   17   64                                                 
CONECT   29    5    5                                                 
CONECT   30    9   18                                                 
CONECT   31   20   19                                                 
CONECT   32   17   65   65   66                                       
CONECT   32   67   67                                                 
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   32   32                                                 
CONECT   66   32   68                                                 
CONECT   67   32   32                                                 
CONECT   68   66                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
