COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.099  -0.429   0.146  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.567  -0.316  -0.433  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.789   1.507   0.532  1.00  0.00           C  
HETATM    4  C   UNL     1       1.250   2.800  -1.040  1.00  0.00           C  
HETATM    5  C   UNL     1       3.128   4.509  -1.887  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.888   3.409   1.437  1.00  0.00           C  
HETATM    7  C   UNL     1       5.483   0.113   2.775  1.00  0.00           C  
HETATM    8  C   UNL     1       5.744  -1.117   1.902  1.00  0.00           C  
HETATM    9  C   UNL     1       6.960  -0.861   1.010  1.00  0.00           C  
HETATM   10  C   UNL     1       6.013  -2.329   2.797  1.00  0.00           C  
HETATM   11  C   UNL     1       4.537  -1.386   1.041  1.00  0.00           C  
HETATM   12  C   UNL     1       3.868  -2.591   1.147  1.00  0.00           C  
HETATM   13  C   UNL     1       2.761  -2.839   0.356  1.00  0.00           C  
HETATM   14  C   UNL     1       2.323  -1.881  -0.540  1.00  0.00           C  
HETATM   15  C   UNL     1       2.988  -0.674  -0.640  1.00  0.00           C  
HETATM   16  S   UNL     1       0.913  -2.197  -1.548  1.00  0.00           S  
HETATM   17  O   UNL     1       1.035  -1.352  -2.684  1.00  0.00           O  
HETATM   18  O   UNL     1       0.793  -3.610  -1.639  1.00  0.00           O  
HETATM   19  N   UNL     1      -0.415  -1.668  -0.712  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.682   0.141   0.277  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.837   2.322   0.096  1.00  0.00           N  
HETATM   22  C   UNL     1       0.208   1.853  -0.570  1.00  0.00           C  
HETATM   23  N   UNL     1       0.347   0.561  -0.832  1.00  0.00           N  
HETATM   24  N   UNL     1       1.111   4.093  -0.783  1.00  0.00           N  
HETATM   25  C   UNL     1       2.020   4.964  -1.188  1.00  0.00           C  
HETATM   26  C   UNL     1       3.247   3.148  -2.129  1.00  0.00           C  
HETATM   27  N   UNL     1       2.299   2.332  -1.701  1.00  0.00           N  
HETATM   28  O   UNL     1      -2.853   1.997   1.217  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.152   3.771   2.220  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.090   3.187   3.522  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.637  -0.726   0.707  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.683  -0.987  -0.122  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.752  -0.377  -1.365  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.816  -0.644  -2.207  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.811  -1.518  -1.813  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.748  -2.130  -0.574  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.682  -1.872   0.273  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.619  -2.473   1.491  1.00  0.00           O  
HETATM   39  C   UNL     1      -5.685  -3.360   1.833  1.00  0.00           C  
HETATM   40  H   UNL     1       4.621   0.513   0.064  1.00  0.00           H  
HETATM   41  H   UNL     1       3.886   5.198  -2.230  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.009   3.710   2.007  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.894   3.926   0.478  1.00  0.00           H  
HETATM   44  H   UNL     1       6.356   0.308   3.398  1.00  0.00           H  
HETATM   45  H   UNL     1       5.291   0.976   2.138  1.00  0.00           H  
HETATM   46  H   UNL     1       4.617  -0.069   3.410  1.00  0.00           H  
HETATM   47  H   UNL     1       7.833  -0.666   1.633  1.00  0.00           H  
HETATM   48  H   UNL     1       7.146  -1.737   0.389  1.00  0.00           H  
HETATM   49  H   UNL     1       6.768   0.002   0.373  1.00  0.00           H  
HETATM   50  H   UNL     1       5.146  -2.511   3.432  1.00  0.00           H  
HETATM   51  H   UNL     1       6.199  -3.205   2.175  1.00  0.00           H  
HETATM   52  H   UNL     1       6.886  -2.134   3.420  1.00  0.00           H  
HETATM   53  H   UNL     1       4.210  -3.340   1.846  1.00  0.00           H  
HETATM   54  H   UNL     1       2.238  -3.780   0.438  1.00  0.00           H  
HETATM   55  H   UNL     1       2.646   0.075  -1.340  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.087  -2.303  -0.417  1.00  0.00           H  
HETATM   57  H   UNL     1       1.902   6.016  -0.975  1.00  0.00           H  
HETATM   58  H   UNL     1       4.097   2.761  -2.671  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.225   4.855   2.311  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.027   3.391   1.692  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.860   3.376   4.075  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.976   0.307  -1.675  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.869  -0.168  -3.175  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.640  -1.724  -2.474  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.527  -2.813  -0.269  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.512  -3.770   2.828  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.629  -2.814   1.825  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.729  -4.172   1.108  1.00  0.00           H  
CONECT    1   15   15   11   40                                       
CONECT    2   20   19   23   23                                       
CONECT    3   28   20   20   21                                       
CONECT    4   22   27   27   24                                       
CONECT    5   26   26   25   41                                       
CONECT    6   29   28   42   43                                       
CONECT    7    8   44   45   46                                       
CONECT    8   11    9    7   10                                       
CONECT    9    8   47   48   49                                       
CONECT   10    8   50   51   52                                       
CONECT   11    1    8   12   12                                       
CONECT   12   11   11   13   53                                       
CONECT   13   14   14   12   54                                       
CONECT   14   16   15   13   13                                       
CONECT   15    1    1   14   55                                       
CONECT   16   19   17   17   18                                       
CONECT   16   18   14                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19    2   16   56                                            
CONECT   20   31    3    3    2                                       
CONECT   21    3   22   22                                            
CONECT   22   21   21   23    4                                       
CONECT   23    2    2   22                                            
CONECT   24    4   25   25                                            
CONECT   25   24   24    5   57                                       
CONECT   26   27    5    5   58                                       
CONECT   27    4    4   26                                            
CONECT   28    6    3                                                 
CONECT   29   30    6   59   60                                       
CONECT   30   29   61                                                 
CONECT   31   32   20                                                 
CONECT   32   37   31   33   33                                       
CONECT   33   32   32   34   62                                       
CONECT   34   35   35   33   63                                       
CONECT   35   36   34   34   64                                       
CONECT   36   37   37   35   65                                       
CONECT   37   38   36   36   32                                       
CONECT   38   39   37                                                 
CONECT   39   38   66   67   68                                       
CONECT   40    1                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   19                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   39                                                      
CONECT   67   39                                                      
CONECT   68   39                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
