COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.329  -0.134   0.315  1.00  0.00           C  
HETATM    2  C   UNL     1       1.240   0.756   0.856  1.00  0.00           C  
HETATM    3  C   UNL     1       1.554   1.120   2.308  1.00  0.00           C  
HETATM    4  C   UNL     1       0.516   2.122   2.819  1.00  0.00           C  
HETATM    5  C   UNL     1       0.754   2.391   4.306  1.00  0.00           C  
HETATM    6  C   UNL     1       0.644   3.431   2.037  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.193   0.750   0.732  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.571   0.918   0.611  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.802   0.012   0.553  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.258  -0.341  -0.869  1.00  0.00           C  
HETATM   11  C   UNL     1       5.349  -1.282   0.920  1.00  0.00           C  
HETATM   12  C   UNL     1       4.663  -0.562  -0.243  1.00  0.00           C  
HETATM   13  C   UNL     1       5.691   0.285  -0.996  1.00  0.00           C  
HETATM   14  C   UNL     1       5.043   0.878  -2.249  1.00  0.00           C  
HETATM   15  C   UNL     1       4.110   2.014  -1.880  1.00  0.00           C  
HETATM   16  C   UNL     1       5.757   2.813  -3.203  1.00  0.00           C  
HETATM   17  C   UNL     1       6.086   1.541  -3.125  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.850  -0.665  -0.763  1.00  0.00           C  
HETATM   19  C   UNL     1     -10.218  -0.848  -0.532  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.166  -2.371  -0.393  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.469  -0.478  -1.996  1.00  0.00           C  
HETATM   22  C   UNL     1     -11.352  -0.295   0.334  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.140   0.764   0.604  1.00  0.00           C  
HETATM   24  N   UNL     1       4.612   3.109  -2.487  1.00  0.00           N  
HETATM   25  N   UNL     1       3.603   0.306   0.278  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.042   0.051   0.794  1.00  0.00           N  
HETATM   27  N   UNL     1      -6.645  -0.174  -0.410  1.00  0.00           N  
HETATM   28  O   UNL     1       4.367  -1.963   1.704  1.00  0.00           O  
HETATM   29  O   UNL     1       3.119   1.952  -1.185  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.372   0.101   0.676  1.00  0.00           O  
HETATM   31  O   UNL     1      -8.955  -0.278  -0.098  1.00  0.00           O  
HETATM   32  O   UNL     1      -7.939  -1.456  -1.681  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.167   1.964   0.727  1.00  0.00           O  
HETATM   34  O   UNL     1       2.061  -1.248  -0.083  1.00  0.00           O  
HETATM   35  H   UNL     1       1.184   1.666   0.257  1.00  0.00           H  
HETATM   36  H   UNL     1       1.523   0.220   2.923  1.00  0.00           H  
HETATM   37  H   UNL     1       2.547   1.565   2.365  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.484   1.712   2.679  1.00  0.00           H  
HETATM   39  H   UNL     1       1.755   2.801   4.445  1.00  0.00           H  
HETATM   40  H   UNL     1       0.015   3.105   4.669  1.00  0.00           H  
HETATM   41  H   UNL     1       0.663   1.458   4.863  1.00  0.00           H  
HETATM   42  H   UNL     1       0.474   3.240   0.977  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.095   4.145   2.400  1.00  0.00           H  
HETATM   44  H   UNL     1       1.644   3.841   2.176  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.537   1.542  -0.282  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.627   1.552   1.495  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.743  -0.840   1.231  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.957   0.393  -1.616  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.018  -1.363  -1.161  1.00  0.00           H  
HETATM   50  H   UNL     1       5.870  -0.554   1.542  1.00  0.00           H  
HETATM   51  H   UNL     1       4.230  -1.297  -0.921  1.00  0.00           H  
HETATM   52  H   UNL     1       6.040   1.091  -0.352  1.00  0.00           H  
HETATM   53  H   UNL     1       6.535  -0.341  -1.285  1.00  0.00           H  
HETATM   54  H   UNL     1       4.510   0.107  -2.805  1.00  0.00           H  
HETATM   55  H   UNL     1       6.319   3.545  -3.765  1.00  0.00           H  
HETATM   56  H   UNL     1       6.934   1.064  -3.593  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.988  -2.634   0.650  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.114  -2.798  -0.719  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.359  -2.764  -1.010  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.417  -0.905  -2.322  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.506   0.607  -2.095  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.661  -0.872  -2.613  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.174  -0.558   1.377  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.389   0.790   0.235  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.300  -0.722   0.008  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.648   0.681   1.564  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.073   1.793   0.250  1.00  0.00           H  
HETATM   68  H   UNL     1       4.219   3.993  -2.428  1.00  0.00           H  
HETATM   69  H   UNL     1       3.818   1.197   0.596  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.063  -0.919   0.799  1.00  0.00           H  
HETATM   71  H   UNL     1       3.696  -1.381   2.085  1.00  0.00           H  
HETATM   72  S   UNL     1       6.541  -2.483   0.267  1.00  0.00           S  
HETATM   73  O   UNL     1       7.185  -3.174   1.329  1.00  0.00           O  
HETATM   74  O   UNL     1       5.987  -3.187  -0.836  1.00  0.00           O  
HETATM   75  O   UNL     1       7.642  -1.630  -0.347  1.00  0.00           O  
HETATM   76  H   UNL     1       8.361  -2.141  -0.742  1.00  0.00           H  
CONECT    1    2   34   34   25                                       
CONECT    2    3   26    1   35                                       
CONECT    3    4    2   36   37                                       
CONECT    4    6    5    3   38                                       
CONECT    5    4   39   40   41                                       
CONECT    6    4   42   43   44                                       
CONECT    7   26   30   33   33                                       
CONECT    8    9   30   45   46                                       
CONECT    9   10    8   23   47                                       
CONECT   10   27    9   48   49                                       
CONECT   11   12   28   50   72                                       
CONECT   12   25   11   13   51                                       
CONECT   13   12   14   52   53                                       
CONECT   14   17   13   15   54                                       
CONECT   15   14   29   29   24                                       
CONECT   16   17   17   24   55                                       
CONECT   17   14   16   16   56                                       
CONECT   18   31   27   32   32                                       
CONECT   19   22   21   20   31                                       
CONECT   20   19   57   58   59                                       
CONECT   21   19   60   61   62                                       
CONECT   22   19   63   64   65                                       
CONECT   23   27    9   66   67                                       
CONECT   24   15   16   68                                            
CONECT   25    1   12   69                                            
CONECT   26    2    7   70                                            
CONECT   27   18   10   23                                            
CONECT   28   11   71                                                 
CONECT   29   15   15                                                 
CONECT   30    8    7                                                 
CONECT   31   19   18                                                 
CONECT   32   18   18                                                 
CONECT   33    7    7                                                 
CONECT   34    1    1                                                 
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   11   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
