COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.908  -0.144   0.124  1.00  0.00           C  
HETATM    2  C   UNL     1       1.273  -0.334  -0.470  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.154  -0.530  -0.372  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.500  -1.760  -1.214  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.769  -1.484  -2.023  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.489  -0.386  -3.051  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.175  -0.369   0.725  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.349   0.392   1.519  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.352   1.451   1.055  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.620   2.770   0.804  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.674   2.636  -0.369  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.535   3.767  -1.176  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.617   3.867   0.363  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.097  -0.891   1.889  1.00  0.00           C  
HETATM   15  C   UNL     1       4.821   0.734   1.375  1.00  0.00           C  
HETATM   16  C   UNL     1       7.719   0.148   0.181  1.00  0.00           C  
HETATM   17  C   UNL     1       9.479  -1.238   1.027  1.00  0.00           C  
HETATM   18  C   UNL     1       5.080  -1.606   0.539  1.00  0.00           C  
HETATM   19  C   UNL     1       3.624   0.007  -0.695  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.201  -2.761  -2.746  1.00  0.00           C  
HETATM   21  C   UNL     1       8.388  -1.062   0.196  1.00  0.00           C  
HETATM   22  C   UNL     1       9.900  -0.204   1.843  1.00  0.00           C  
HETATM   23  C   UNL     1       9.237   1.009   1.820  1.00  0.00           C  
HETATM   24  C   UNL     1       8.143   1.183   0.993  1.00  0.00           C  
HETATM   25  N   UNL     1       0.175  -0.702   0.220  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.402   0.110   0.438  1.00  0.00           N  
HETATM   27  N   UNL     1      -4.209   3.207  -1.462  1.00  0.00           N  
HETATM   28  O   UNL     1       2.487  -0.406   0.108  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.590   2.093  -0.329  1.00  0.00           O  
HETATM   30  O   UNL     1      -6.101  -0.593   2.861  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.893  -0.669   1.865  1.00  0.00           O  
HETATM   32  O   UNL     1       1.167   0.063  -1.614  1.00  0.00           O  
HETATM   33  O   UNL     1       6.548  -0.545  -1.942  1.00  0.00           O  
HETATM   34  O   UNL     1       6.291   1.773  -1.115  1.00  0.00           O  
HETATM   35  S   UNL     1       6.329   0.372  -0.878  1.00  0.00           S  
HETATM   36  H   UNL     1      -1.158   0.357  -1.006  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.676  -1.979  -1.894  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.666  -2.615  -0.558  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.564  -1.159  -1.352  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.157   0.517  -2.538  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.712  -0.720  -3.738  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.400  -0.171  -3.610  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.807   0.761   2.389  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.830   1.119   0.133  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.109   1.596   1.826  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.078   3.081   1.697  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.314   3.104  -1.554  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.631   4.756  -1.624  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.624   3.643   0.715  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.295   4.849   0.708  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.394  -1.614   2.303  1.00  0.00           H  
HETATM   52  H   UNL     1       3.967   0.424   1.977  1.00  0.00           H  
HETATM   53  H   UNL     1       5.735   0.627   1.958  1.00  0.00           H  
HETATM   54  H   UNL     1       4.698   1.776   1.079  1.00  0.00           H  
HETATM   55  H   UNL     1      10.002  -2.182   1.039  1.00  0.00           H  
HETATM   56  H   UNL     1       5.142  -2.231  -0.352  1.00  0.00           H  
HETATM   57  H   UNL     1       5.994  -1.713   1.122  1.00  0.00           H  
HETATM   58  H   UNL     1       4.226  -1.916   1.141  1.00  0.00           H  
HETATM   59  H   UNL     1       3.502   1.049  -0.990  1.00  0.00           H  
HETATM   60  H   UNL     1       3.687  -0.618  -1.586  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.400  -3.543  -2.013  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.105  -2.564  -3.322  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.406  -3.086  -3.417  1.00  0.00           H  
HETATM   64  H   UNL     1       8.059  -1.869  -0.441  1.00  0.00           H  
HETATM   65  H   UNL     1      10.752  -0.342   2.493  1.00  0.00           H  
HETATM   66  H   UNL     1       9.566   1.816   2.457  1.00  0.00           H  
HETATM   67  H   UNL     1       7.621   2.128   0.981  1.00  0.00           H  
HETATM   68  H   UNL     1       0.265  -1.081   1.108  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.657   0.268  -0.485  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.774   3.244  -2.329  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.762   0.046   2.561  1.00  0.00           H  
HETATM   72  S   UNL     1      -5.877  -1.586   0.407  1.00  0.00           S  
HETATM   73  O   UNL     1      -6.855  -0.692  -0.108  1.00  0.00           O  
HETATM   74  O   UNL     1      -4.900  -2.171  -0.444  1.00  0.00           O  
HETATM   75  O   UNL     1      -6.684  -2.769   0.921  1.00  0.00           O  
HETATM   76  H   UNL     1      -7.164  -3.247   0.232  1.00  0.00           H  
CONECT    1   18   35   19   15                                       
CONECT    2   28   25   32   32                                       
CONECT    3   25    7    4   36                                       
CONECT    4    3    5   37   38                                       
CONECT    5    4    6   20   39                                       
CONECT    6    5   40   41   42                                       
CONECT    7   31   31    3   26                                       
CONECT    8   26    9   14   43                                       
CONECT    9   10    8   44   45                                       
CONECT   10   13   11    9   46                                       
CONECT   11   27   10   29   29                                       
CONECT   12   13   27   47   48                                       
CONECT   13   12   10   49   50                                       
CONECT   14    8   30   51   72                                       
CONECT   15    1   52   53   54                                       
CONECT   16   24   24   21   35                                       
CONECT   17   22   21   21   55                                       
CONECT   18    1   56   57   58                                       
CONECT   19    1   28   59   60                                       
CONECT   20    5   61   62   63                                       
CONECT   21   17   17   16   64                                       
CONECT   22   23   23   17   65                                       
CONECT   23   22   22   24   66                                       
CONECT   24   23   16   16   67                                       
CONECT   25    2    3   68                                            
CONECT   26    7    8   69                                            
CONECT   27   12   11   70                                            
CONECT   28   19    2                                                 
CONECT   29   11   11                                                 
CONECT   30   14   71                                                 
CONECT   31    7    7                                                 
CONECT   32    2    2                                                 
CONECT   33   35   35                                                 
CONECT   34   35   35                                                 
CONECT   35   16   34   34    1                                       
CONECT   35   33   33                                                 
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   30                                                      
CONECT   72   14   73   73   74                                       
CONECT   72   74   75                                                 
CONECT   73   72   72                                                 
CONECT   74   72   72                                                 
CONECT   75   72   76                                                 
CONECT   76   75                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
