COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.278   5.444   0.594  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.894   4.479   1.034  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.955   3.885   0.410  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.345   4.461  -0.842  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.163   4.374  -1.806  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.530   3.656  -1.370  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.748   5.916  -0.604  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.626   3.828   2.222  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.566   4.205   3.122  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.882   3.836   4.576  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.819   4.818   5.237  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.294   5.913   5.906  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.160   6.820   6.517  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.539   6.621   6.451  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.383   7.506   7.048  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.052   5.515   5.774  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.187   4.608   5.163  1.00  0.00           C  
HETATM   18  C   UNL     1       0.697   3.489   2.657  1.00  0.00           C  
HETATM   19  O   UNL     1       0.685   2.361   2.168  1.00  0.00           O  
HETATM   20  N   UNL     1       1.832   4.278   2.806  1.00  0.00           N  
HETATM   21  C   UNL     1       3.149   3.860   2.399  1.00  0.00           C  
HETATM   22  C   UNL     1       3.756   3.083   3.562  1.00  0.00           C  
HETATM   23  N   UNL     1       4.519   2.009   3.127  1.00  0.00           N  
HETATM   24  C   UNL     1       5.167   1.080   4.025  1.00  0.00           C  
HETATM   25  O   UNL     1       3.544   3.367   4.739  1.00  0.00           O  
HETATM   26  C   UNL     1       4.044   5.048   2.026  1.00  0.00           C  
HETATM   27  C   UNL     1       3.478   5.874   0.898  1.00  0.00           C  
HETATM   28  C   UNL     1       3.808   5.554  -0.410  1.00  0.00           C  
HETATM   29  C   UNL     1       3.285   6.318  -1.454  1.00  0.00           C  
HETATM   30  C   UNL     1       2.638   6.937   1.189  1.00  0.00           C  
HETATM   31  C   UNL     1       2.115   7.701   0.145  1.00  0.00           C  
HETATM   32  C   UNL     1       2.438   7.391  -1.176  1.00  0.00           C  
HETATM   33  N   UNL     1       1.902   8.173  -2.244  1.00  0.00           N  
HETATM   34  S   UNL     1       0.232   7.921  -2.630  1.00  0.00           S  
HETATM   35  O   UNL     1       0.209   6.498  -3.427  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.512   7.748  -1.396  1.00  0.00           O  
HETATM   37  O   UNL     1      -0.166   8.947  -3.577  1.00  0.00           O  
HETATM   38  H   UNL     1      -1.843   3.334  -1.937  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.413   4.787  -2.789  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.296   4.917  -1.413  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.364   3.676  -0.658  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.259   2.601  -1.498  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.885   4.042  -2.331  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.911   6.491  -0.190  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.076   6.400  -1.529  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.560   5.981   0.130  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.211   3.036   2.476  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.428   5.286   3.007  1.00  0.00           H  
HETATM   49  H   UNL     1       0.045   3.760   5.160  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.338   2.838   4.629  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.221   6.076   5.963  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.754   7.679   7.043  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.114   8.416   6.848  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.126   5.354   5.719  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.596   3.749   4.637  1.00  0.00           H  
HETATM   56  H   UNL     1       1.726   5.199   3.225  1.00  0.00           H  
HETATM   57  H   UNL     1       3.013   3.183   1.547  1.00  0.00           H  
HETATM   58  H   UNL     1       4.629   1.868   2.127  1.00  0.00           H  
HETATM   59  H   UNL     1       4.425   0.606   4.674  1.00  0.00           H  
HETATM   60  H   UNL     1       5.897   1.603   4.649  1.00  0.00           H  
HETATM   61  H   UNL     1       5.684   0.303   3.457  1.00  0.00           H  
HETATM   62  H   UNL     1       5.050   4.697   1.759  1.00  0.00           H  
HETATM   63  H   UNL     1       4.190   5.705   2.894  1.00  0.00           H  
HETATM   64  H   UNL     1       4.467   4.720  -0.636  1.00  0.00           H  
HETATM   65  H   UNL     1       3.543   6.068  -2.479  1.00  0.00           H  
HETATM   66  H   UNL     1       2.381   7.186   2.215  1.00  0.00           H  
HETATM   67  H   UNL     1       1.456   8.535   0.372  1.00  0.00           H  
HETATM   68  H   UNL     1       2.517   8.220  -3.074  1.00  0.00           H  
HETATM   69  H   UNL     1       0.776   6.457  -4.233  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4                                                 
CONECT    4    3    6    5    7                                       
CONECT    5    4   38   39   40                                       
CONECT    6    4   41   42   43                                       
CONECT    7    4   44   45   46                                       
CONECT    8    2    9   47                                            
CONECT    9    8   10   18   48                                       
CONECT   10    9   11   49   50                                       
CONECT   11   10   12   12   17                                       
CONECT   12   11   11   13   51                                       
CONECT   13   12   14   14   52                                       
CONECT   14   13   13   15   16                                       
CONECT   15   14   53                                                 
CONECT   16   14   17   17   54                                       
CONECT   17   11   16   16   55                                       
CONECT   18    9   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   56                                            
CONECT   21   20   26   22   57                                       
CONECT   22   21   25   25   23                                       
CONECT   23   22   24   58                                            
CONECT   24   23   59   60   61                                       
CONECT   25   22   22                                                 
CONECT   26   21   27   62   63                                       
CONECT   27   26   28   28   30                                       
CONECT   28   27   27   29   64                                       
CONECT   29   28   32   32   65                                       
CONECT   30   27   31   31   66                                       
CONECT   31   30   30   32   67                                       
CONECT   32   29   29   31   33                                       
CONECT   33   32   34   68                                            
CONECT   34   33   36   36   37                                       
CONECT   34   37   35                                                 
CONECT   35   34   69                                                 
CONECT   36   34   34                                                 
CONECT   37   34   34                                                 
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   33                                                      
CONECT   69   35                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
