COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.142  -2.175  -1.752  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.039   0.489   1.635  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.442  -0.845  -1.956  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.325   0.064  -0.911  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.833   3.507  -0.223  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.347   1.594  -2.401  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.448   3.068  -2.834  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.777   3.993  -1.693  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.459   4.511  -1.074  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.450   2.230  -0.994  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.902  -0.367   0.350  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.629   1.407  -1.122  1.00  0.00           N  
HETATM   13  N   UNL     1      -3.780   0.552   1.400  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.725  -2.613  -0.493  1.00  0.00           C  
HETATM   15  N   UNL     1      10.193  -0.527  -0.728  1.00  0.00           N  
HETATM   16  O   UNL     1      -3.047  -4.417   0.822  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.409  -4.036  -0.274  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.523  -4.916  -1.289  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.196  -6.301  -1.001  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.601  -1.699   0.559  1.00  0.00           C  
HETATM   21  S   UNL     1      -2.564   0.383   2.511  1.00  0.00           S  
HETATM   22  O   UNL     1      -2.653  -0.947   3.003  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.625   1.528   3.350  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.428   1.716   1.457  1.00  0.00           C  
HETATM   25  C   UNL     1       0.769   1.798   0.769  1.00  0.00           C  
HETATM   26  C   UNL     1       1.354   0.654   0.259  1.00  0.00           C  
HETATM   27  C   UNL     1       0.742  -0.573   0.438  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.451  -0.656   1.130  1.00  0.00           C  
HETATM   29  C   UNL     1       2.657   0.745  -0.491  1.00  0.00           C  
HETATM   30  C   UNL     1       3.822   0.595   0.489  1.00  0.00           C  
HETATM   31  C   UNL     1       5.145   0.687  -0.273  1.00  0.00           C  
HETATM   32  C   UNL     1       6.310   0.537   0.708  1.00  0.00           C  
HETATM   33  C   UNL     1       7.634   0.628  -0.054  1.00  0.00           C  
HETATM   34  C   UNL     1       7.760  -0.564  -1.006  1.00  0.00           C  
HETATM   35  C   UNL     1       9.111  -0.500  -1.720  1.00  0.00           C  
HETATM   36  C   UNL     1      11.506  -0.606  -1.381  1.00  0.00           C  
HETATM   37  C   UNL     1      10.120   0.634   0.169  1.00  0.00           C  
HETATM   38  C   UNL     1       8.799   0.604   0.939  1.00  0.00           C  
HETATM   39  H   UNL     1      -4.233  -2.879  -2.566  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.768  -0.509  -2.929  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.933   3.933   0.221  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.525   3.240   0.576  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.354   1.190  -2.299  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.825   1.036  -3.178  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.496   3.372  -3.269  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.224   3.158  -3.594  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.363   4.835  -2.063  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.349   3.453  -0.939  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.671   5.400  -0.480  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.771   4.778  -1.876  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.079   2.496  -1.984  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.680   1.687  -0.446  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.408   1.288   1.476  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.853  -6.674  -0.215  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.329  -6.900  -1.901  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.159  -6.368  -0.669  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.274  -2.033   1.532  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.885   2.609   1.855  1.00  0.00           H  
HETATM   59  H   UNL     1       1.246   2.757   0.630  1.00  0.00           H  
HETATM   60  H   UNL     1       1.199  -1.467   0.039  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.929  -1.615   1.269  1.00  0.00           H  
HETATM   62  H   UNL     1       2.704  -0.051  -1.235  1.00  0.00           H  
HETATM   63  H   UNL     1       2.724   1.712  -0.989  1.00  0.00           H  
HETATM   64  H   UNL     1       3.775   1.390   1.233  1.00  0.00           H  
HETATM   65  H   UNL     1       3.756  -0.373   0.987  1.00  0.00           H  
HETATM   66  H   UNL     1       5.192  -0.109  -1.017  1.00  0.00           H  
HETATM   67  H   UNL     1       5.212   1.654  -0.770  1.00  0.00           H  
HETATM   68  H   UNL     1       6.263   1.332   1.452  1.00  0.00           H  
HETATM   69  H   UNL     1       6.244  -0.431   1.206  1.00  0.00           H  
HETATM   70  H   UNL     1       7.662   1.556  -0.626  1.00  0.00           H  
HETATM   71  H   UNL     1       7.692  -1.492  -0.438  1.00  0.00           H  
HETATM   72  H   UNL     1       6.956  -0.529  -1.742  1.00  0.00           H  
HETATM   73  H   UNL     1       9.173   0.422  -2.299  1.00  0.00           H  
HETATM   74  H   UNL     1       9.210  -1.355  -2.389  1.00  0.00           H  
HETATM   75  H   UNL     1      11.644   0.263  -2.025  1.00  0.00           H  
HETATM   76  H   UNL     1      12.289  -0.624  -0.623  1.00  0.00           H  
HETATM   77  H   UNL     1      11.559  -1.515  -1.981  1.00  0.00           H  
HETATM   78  H   UNL     1      10.952   0.603   0.872  1.00  0.00           H  
HETATM   79  H   UNL     1      10.177   1.551  -0.419  1.00  0.00           H  
HETATM   80  H   UNL     1       8.738   1.474   1.593  1.00  0.00           H  
HETATM   81  H   UNL     1       8.748  -0.306   1.538  1.00  0.00           H  
CONECT    1   14   14    3   39                                       
CONECT    2   24   24   28   21                                       
CONECT    3    4    4    1   40                                       
CONECT    4   11   12    3    3                                       
CONECT    5   10    9   41   42                                       
CONECT    6   12    7   43   44                                       
CONECT    7    6    8   45   46                                       
CONECT    8    9    7   47   48                                       
CONECT    9    5    8   49   50                                       
CONECT   10   12    5   51   52                                       
CONECT   11   13   20   20    4                                       
CONECT   12   10    4    6                                            
CONECT   13   21   11   53                                            
CONECT   14   20   17    1    1                                       
CONECT   15   36   37   35                                            
CONECT   16   17   17                                                 
CONECT   17   18   14   16   16                                       
CONECT   18   19   17                                                 
CONECT   19   18   54   55   56                                       
CONECT   20   11   11   14   57                                       
CONECT   21   23   23    2   22                                       
CONECT   21   22   13                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   25    2    2   58                                       
CONECT   25   26   26   24   59                                       
CONECT   26   29   25   25   27                                       
CONECT   27   26   28   28   60                                       
CONECT   28   27   27    2   61                                       
CONECT   29   30   26   62   63                                       
CONECT   30   31   29   64   65                                       
CONECT   31   32   30   66   67                                       
CONECT   32   33   31   68   69                                       
CONECT   33   38   34   32   70                                       
CONECT   34   35   33   71   72                                       
CONECT   35   15   34   73   74                                       
CONECT   36   15   75   76   77                                       
CONECT   37   15   38   78   79                                       
CONECT   38   37   33   80   81                                       
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   13                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
