COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.848  -1.940   0.349  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.163  -7.849   1.318  1.00  0.00           C  
HETATM    3  C   UNL     1       1.583   1.829   0.219  1.00  0.00           C  
HETATM    4  C   UNL     1       3.033   1.544   0.516  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.368   2.668  -2.140  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.541   1.484  -1.866  1.00  0.00           N  
HETATM    7  C   UNL     1      -6.070   1.482  -0.475  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.369   0.152  -0.179  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.322  -0.060  -1.191  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.059  -0.359  -0.827  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.228  -0.620  -1.676  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.717  -0.369   0.476  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.321  -0.580   0.866  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.635  -3.052   1.046  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.161  -4.412   0.529  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.897  -5.451   1.179  1.00  0.00           O  
HETATM   17  N   UNL     1      -1.533  -6.757   0.770  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.810  -9.117   0.920  1.00  0.00           N  
HETATM   19  N   UNL     1      -3.095  -7.683   2.214  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.464   0.508   0.273  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.867   1.149  -0.675  1.00  0.00           O  
HETATM   22  N   UNL     1       0.750   0.770   0.796  1.00  0.00           N  
HETATM   23  C   UNL     1       3.884   1.382  -0.467  1.00  0.00           C  
HETATM   24  S   UNL     1       5.579   1.049  -0.119  1.00  0.00           S  
HETATM   25  O   UNL     1       6.336   1.945  -0.921  1.00  0.00           O  
HETATM   26  O   UNL     1       5.694   0.987   1.296  1.00  0.00           O  
HETATM   27  C   UNL     1       5.926  -0.570  -0.719  1.00  0.00           C  
HETATM   28  N   UNL     1       5.752  -1.602   0.082  1.00  0.00           N  
HETATM   29  C   UNL     1       6.003  -2.833  -0.333  1.00  0.00           C  
HETATM   30  C   UNL     1       6.454  -3.029  -1.629  1.00  0.00           C  
HETATM   31  C   UNL     1       6.625  -1.919  -2.442  1.00  0.00           C  
HETATM   32  N   UNL     1       6.349  -0.718  -1.959  1.00  0.00           N  
HETATM   33  C   UNL     1       1.192   3.175   0.830  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.242   3.523   0.424  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.627   4.849   1.026  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.211   4.897   2.278  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.559   6.114   2.832  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.324   7.284   2.134  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.740   7.237   0.882  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.392   6.019   0.328  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.691   0.063  -2.609  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.419   1.396  -2.809  1.00  0.00           C  
HETATM   43  H   UNL     1      -1.012  -1.997  -0.727  1.00  0.00           H  
HETATM   44  H   UNL     1       0.215  -2.059   0.561  1.00  0.00           H  
HETATM   45  H   UNL     1       1.434   1.862  -0.860  1.00  0.00           H  
HETATM   46  H   UNL     1       3.371   1.475   1.540  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.766   2.606  -3.153  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.191   2.708  -1.427  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.759   3.566  -2.043  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.369   2.303  -0.327  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.919   1.602   0.197  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.918   0.188   0.812  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.093  -0.662  -0.225  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.396  -0.236   1.156  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.239  -0.555   1.952  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.470  -2.995   2.122  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.697  -2.933   0.834  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.326  -4.470  -0.547  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.099  -4.532   0.741  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.840  -6.881   0.103  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.117  -9.241   0.254  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.255  -9.888   1.307  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.344  -6.788   2.494  1.00  0.00           H  
HETATM   64  H   UNL     1       1.072   0.258   1.554  1.00  0.00           H  
HETATM   65  H   UNL     1       3.546   1.452  -1.490  1.00  0.00           H  
HETATM   66  H   UNL     1       5.858  -3.674   0.328  1.00  0.00           H  
HETATM   67  H   UNL     1       6.667  -4.021  -1.997  1.00  0.00           H  
HETATM   68  H   UNL     1       6.976  -2.033  -3.457  1.00  0.00           H  
HETATM   69  H   UNL     1       1.257   3.114   1.917  1.00  0.00           H  
HETATM   70  H   UNL     1       1.870   3.949   0.469  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.306   3.584  -0.663  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.919   2.749   0.785  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.394   3.983   2.823  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.016   6.151   3.810  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.597   8.235   2.567  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.556   8.151   0.337  1.00  0.00           H  
HETATM   77  H   UNL     1       0.068   5.982  -0.649  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.791   0.041  -3.225  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.347  -0.761  -2.890  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.796   1.455  -3.830  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.727   2.219  -2.629  1.00  0.00           H  
CONECT    1   13   14   43   44                                       
CONECT    2   19   19   18   17                                       
CONECT    3   33   22    4   45                                       
CONECT    4   23   23    3   46                                       
CONECT    5    6   47   48   49                                       
CONECT    6    5    7   42                                            
CONECT    7    6    8   50   51                                       
CONECT    8    7    9   52   53                                       
CONECT    9    8   10   41                                            
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   54                                            
CONECT   13   12   20    1   55                                       
CONECT   14   15    1   56   57                                       
CONECT   15   16   14   58   59                                       
CONECT   16   17   15                                                 
CONECT   17    2   16   60                                            
CONECT   18    2   61   62                                            
CONECT   19    2    2   63                                            
CONECT   20   22   13   21   21                                       
CONECT   21   20   20                                                 
CONECT   22    3   20   64                                            
CONECT   23    4    4   24   65                                       
CONECT   24   23   27   25   25                                       
CONECT   24   26   26                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   28   24   32   32                                       
CONECT   28   29   29   27                                            
CONECT   29   28   28   30   66                                       
CONECT   30   29   31   31   67                                       
CONECT   31   30   30   32   68                                       
CONECT   32   27   27   31                                            
CONECT   33   34    3   69   70                                       
CONECT   34   35   33   71   72                                       
CONECT   35   36   36   40   34                                       
CONECT   36   37   35   35   73                                       
CONECT   37   38   38   36   74                                       
CONECT   38   37   37   39   75                                       
CONECT   39   38   40   40   76                                       
CONECT   40   39   39   35   77                                       
CONECT   41   42    9   78   79                                       
CONECT   42    6   41   80   81                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
