COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.984   7.906  -3.835  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.279   9.809  -3.219  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.716   9.130  -4.355  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.764   9.941  -5.054  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.486   9.295  -4.995  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.538   8.362  -3.807  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.997   9.048  -2.037  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.642   7.651  -2.501  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.808   6.991  -1.575  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.406   5.733  -1.926  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.722   5.166  -2.967  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.603   5.213  -0.937  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.009   3.892  -0.998  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.645   3.928  -0.282  1.00  0.00           C  
HETATM   15  C   UNL     1       0.443   4.613  -1.071  1.00  0.00           C  
HETATM   16  C   UNL     1       1.229   3.866  -1.936  1.00  0.00           C  
HETATM   17  C   UNL     1       2.235   4.499  -2.666  1.00  0.00           C  
HETATM   18  C   UNL     1       2.443   5.871  -2.522  1.00  0.00           C  
HETATM   19  C   UNL     1       1.645   6.610  -1.649  1.00  0.00           C  
HETATM   20  C   UNL     1       0.639   5.977  -0.919  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.977   2.831  -0.430  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.177   2.831  -1.204  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.321   3.083   1.040  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.265   2.045   1.518  1.00  0.00           N  
HETATM   25  S   UNL     1      -3.604   0.588   2.164  1.00  0.00           S  
HETATM   26  O   UNL     1      -2.384   0.255   1.451  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.652  -0.408   2.289  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.139   1.069   3.804  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.868   1.569   4.024  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.502   1.947   5.316  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.412   1.818   6.365  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.055   2.187   7.625  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.734   2.696   7.803  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.689   1.311   6.122  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.055   0.933   4.830  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.441   2.636   2.210  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.377   3.353   1.230  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.905   2.417   0.142  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.533   4.051   1.947  1.00  0.00           C  
HETATM   40  H   UNL     1      -4.078   7.053  -4.517  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.535   8.872  -5.035  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.696  10.045  -4.910  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.344   8.741  -5.930  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.823   7.538  -3.884  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.309   8.920  -2.892  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.875   9.054  -1.383  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.177   9.530  -1.493  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.555   7.062  -2.642  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.417   5.785  -0.121  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.855   3.688  -2.065  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.745   4.396   0.707  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.312   2.902  -0.074  1.00  0.00           H  
HETATM   53  H   UNL     1       1.074   2.797  -2.054  1.00  0.00           H  
HETATM   54  H   UNL     1       2.856   3.924  -3.346  1.00  0.00           H  
HETATM   55  H   UNL     1       3.226   6.364  -3.091  1.00  0.00           H  
HETATM   56  H   UNL     1       1.807   7.678  -1.537  1.00  0.00           H  
HETATM   57  H   UNL     1       0.022   6.561  -0.240  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.523   1.839  -0.534  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.983   2.326  -2.009  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.800   4.057   1.181  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.426   3.031   1.668  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.152   1.675   3.214  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.506   2.341   5.498  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.195   2.653   6.853  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.212   2.103   8.557  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.796   3.735   8.137  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.402   1.208   6.935  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.052   0.539   4.653  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.079   3.330   2.977  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.977   1.828   2.721  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.783   4.130   0.731  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.571   1.650   0.551  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.471   2.981  -0.608  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.080   1.914  -0.374  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.204   3.333   2.430  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.127   4.638   1.239  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.158   4.736   2.715  1.00  0.00           H  
CONECT    1    6    8    3   40                                       
CONECT    2    3    7                                                 
CONECT    3    1    2    4   41                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   42   43                                       
CONECT    6    1    5   44   45                                       
CONECT    7    2    8   46   47                                       
CONECT    8    1    7    9   48                                       
CONECT    9    8   10                                                 
CONECT   10    9   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   49                                            
CONECT   13   12   14   21   50                                       
CONECT   14   13   15   51   52                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   53                                       
CONECT   17   16   18   18   54                                       
CONECT   18   17   17   19   55                                       
CONECT   19   18   20   20   56                                       
CONECT   20   15   19   19   57                                       
CONECT   21   13   23   22   58                                       
CONECT   22   21   59                                                 
CONECT   23   21   24   60   61                                       
CONECT   24   23   25   36                                            
CONECT   25   24   27   27   28                                       
CONECT   25   26   26                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   35   35   29                                       
CONECT   29   28   30   30   62                                       
CONECT   30   29   29   31   63                                       
CONECT   31   30   32   34   34                                       
CONECT   32   31   33                                                 
CONECT   33   32   64   65   66                                       
CONECT   34   31   31   35   67                                       
CONECT   35   28   28   34   68                                       
CONECT   36   24   37   69   70                                       
CONECT   37   36   39   38   71                                       
CONECT   38   37   72   73   74                                       
CONECT   39   37   75   76   77                                       
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
