COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.427  -0.130   0.014  1.00  0.00           C  
HETATM    2  C   UNL     1       0.072   0.081   0.600  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.032   1.434   1.306  1.00  0.00           C  
HETATM    4  C   UNL     1       1.236   1.681   2.126  1.00  0.00           C  
HETATM    5  C   UNL     1       1.187   3.085   2.731  1.00  0.00           C  
HETATM    6  C   UNL     1       1.327   0.644   3.248  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.225  -0.217  -0.108  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.647  -0.484  -0.103  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.852   0.663  -1.096  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.955   1.985  -0.333  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.149   3.137  -1.294  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.667   3.482   0.429  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.228   2.005   0.544  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.632  -1.815  -0.858  1.00  0.00           C  
HETATM   15  C   UNL     1       4.766  -0.380  -0.392  1.00  0.00           C  
HETATM   16  C   UNL     1       5.594  -1.023  -1.506  1.00  0.00           C  
HETATM   17  C   UNL     1       7.003  -1.320  -0.988  1.00  0.00           C  
HETATM   18  C   UNL     1       7.669  -0.016  -0.544  1.00  0.00           C  
HETATM   19  C   UNL     1       9.077  -0.313  -0.026  1.00  0.00           C  
HETATM   20  C   UNL     1       7.755   0.943  -1.734  1.00  0.00           C  
HETATM   21  C   UNL     1       6.840   0.627   0.570  1.00  0.00           C  
HETATM   22  C   UNL     1       5.432   0.925   0.051  1.00  0.00           C  
HETATM   23  N   UNL     1       1.163   0.123  -0.377  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.372  -0.304   0.595  1.00  0.00           N  
HETATM   25  N   UNL     1      -5.115   3.956  -0.846  1.00  0.00           N  
HETATM   26  O   UNL     1       2.663  -0.392   1.177  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.522   3.298  -2.320  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.868  -1.982  -1.555  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.237  -0.379  -1.310  1.00  0.00           O  
HETATM   30  O   UNL     1       3.429  -0.097  -0.885  1.00  0.00           O  
HETATM   31  H   UNL     1       0.272  -0.698   1.335  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.144   2.224   0.563  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.899   1.433   1.968  1.00  0.00           H  
HETATM   34  H   UNL     1       2.109   1.594   1.479  1.00  0.00           H  
HETATM   35  H   UNL     1       0.314   3.172   3.378  1.00  0.00           H  
HETATM   36  H   UNL     1       2.091   3.260   3.315  1.00  0.00           H  
HETATM   37  H   UNL     1       1.122   3.823   1.932  1.00  0.00           H  
HETATM   38  H   UNL     1       2.230   0.820   3.832  1.00  0.00           H  
HETATM   39  H   UNL     1       0.454   0.731   3.894  1.00  0.00           H  
HETATM   40  H   UNL     1       1.361  -0.356   2.817  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.461  -0.486   0.622  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.006   0.704  -1.782  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.769   0.495  -1.660  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.067   2.141   0.279  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.754   3.553   0.420  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.258   4.062   1.257  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.991   1.340   0.140  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.995   1.747   1.577  1.00  0.00           H  
HETATM   49  S   UNL     1      -3.414  -3.176   0.322  1.00  0.00           S  
HETATM   50  H   UNL     1      -2.809  -1.818  -1.572  1.00  0.00           H  
HETATM   51  H   UNL     1       4.704  -1.062   0.455  1.00  0.00           H  
HETATM   52  H   UNL     1       5.120  -1.952  -1.822  1.00  0.00           H  
HETATM   53  H   UNL     1       5.656  -0.340  -2.354  1.00  0.00           H  
HETATM   54  H   UNL     1       6.941  -2.003  -0.140  1.00  0.00           H  
HETATM   55  H   UNL     1       7.593  -1.778  -1.781  1.00  0.00           H  
HETATM   56  H   UNL     1       9.667  -0.771  -0.819  1.00  0.00           H  
HETATM   57  H   UNL     1       9.552   0.616   0.290  1.00  0.00           H  
HETATM   58  H   UNL     1       9.016  -0.996   0.822  1.00  0.00           H  
HETATM   59  H   UNL     1       6.752   1.155  -2.103  1.00  0.00           H  
HETATM   60  H   UNL     1       8.230   1.872  -1.418  1.00  0.00           H  
HETATM   61  H   UNL     1       8.345   0.485  -2.527  1.00  0.00           H  
HETATM   62  H   UNL     1       6.779  -0.055   1.417  1.00  0.00           H  
HETATM   63  H   UNL     1       7.315   1.556   0.885  1.00  0.00           H  
HETATM   64  H   UNL     1       5.493   1.607  -0.797  1.00  0.00           H  
HETATM   65  H   UNL     1       4.842   1.383   0.844  1.00  0.00           H  
HETATM   66  H   UNL     1       0.975   0.332  -1.305  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.353  -0.247   1.563  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.411   4.757  -1.306  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.051  -1.288  -2.204  1.00  0.00           H  
HETATM   70  O   UNL     1      -4.342  -3.062   1.392  1.00  0.00           O  
HETATM   71  O   UNL     1      -3.236  -4.407  -0.365  1.00  0.00           O  
HETATM   72  O   UNL     1      -2.062  -2.907   0.967  1.00  0.00           O  
HETATM   73  H   UNL     1      -1.806  -3.562   1.630  1.00  0.00           H  
CONECT    1   26   26   30   23                                       
CONECT    2   23    7    3   31                                       
CONECT    3    2    4   32   33                                       
CONECT    4    5    3    6   34                                       
CONECT    5    4   35   36   37                                       
CONECT    6    4   38   39   40                                       
CONECT    7   24    2   29   29                                       
CONECT    8    9   24   14   41                                       
CONECT    9   10    8   42   43                                       
CONECT   10   11    9   13   44                                       
CONECT   11   27   27   25   10                                       
CONECT   12   25   13   45   46                                       
CONECT   13   10   12   47   48                                       
CONECT   14    8   28   49   50                                       
CONECT   15   22   16   30   51                                       
CONECT   16   17   15   52   53                                       
CONECT   17   18   16   54   55                                       
CONECT   18   19   21   17   20                                       
CONECT   19   18   56   57   58                                       
CONECT   20   18   59   60   61                                       
CONECT   21   18   22   62   63                                       
CONECT   22   21   15   64   65                                       
CONECT   23    1    2   66                                            
CONECT   24    8    7   67                                            
CONECT   25   11   12   68                                            
CONECT   26    1    1                                                 
CONECT   27   11   11                                                 
CONECT   28   14   69                                                 
CONECT   29    7    7                                                 
CONECT   30   15    1                                                 
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14   70   70   71                                       
CONECT   49   71   72                                                 
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   28                                                      
CONECT   70   49   49                                                 
CONECT   71   49   49                                                 
CONECT   72   49   73                                                 
CONECT   73   72                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
