COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.074   0.973   0.695  1.00  0.00           C  
HETATM    2  C   UNL     1       6.193  -0.050   0.999  1.00  0.00           C  
HETATM    3  C   UNL     1       4.800   0.276   1.472  1.00  0.00           C  
HETATM    4  N   UNL     1       3.903   0.376   0.317  1.00  0.00           N  
HETATM    5  C   UNL     1       6.586  -1.370   0.870  1.00  0.00           C  
HETATM    6  C   UNL     1       7.860  -1.675   0.438  1.00  0.00           C  
HETATM    7  C   UNL     1       8.753  -0.648   0.130  1.00  0.00           C  
HETATM    8  C   UNL     1      10.123  -0.968  -0.334  1.00  0.00           C  
HETATM    9  N   UNL     1      10.495  -2.210  -0.457  1.00  0.00           N  
HETATM   10  C   UNL     1       8.351   0.681   0.261  1.00  0.00           C  
HETATM   11  N   UNL     1      11.002   0.048  -0.637  1.00  0.00           N  
HETATM   12  C   UNL     1       2.599   0.661   0.500  1.00  0.00           C  
HETATM   13  C   UNL     1       1.677   0.765  -0.688  1.00  0.00           C  
HETATM   14  C   UNL     1       2.170   1.872  -1.622  1.00  0.00           C  
HETATM   15  N   UNL     1       0.322   1.081  -0.228  1.00  0.00           N  
HETATM   16  O   UNL     1       2.167   0.835   1.620  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.742   0.741  -0.982  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.135   1.067  -0.509  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.274   2.581  -0.335  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.109   0.598  -1.498  1.00  0.00           N  
HETATM   21  O   UNL     1      -0.578   0.173  -2.041  1.00  0.00           O  
HETATM   22  S   UNL     1      -3.838  -0.877  -1.308  1.00  0.00           S  
HETATM   23  C   UNL     1      -4.834  -0.698   0.197  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.676  -1.003  -2.449  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.759  -1.775  -1.088  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.611  -4.455   1.184  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.368  -4.124   1.690  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.793  -2.909   1.370  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.461  -2.023   0.545  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.705  -2.354   0.039  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.279  -3.570   0.358  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.085   3.475   1.375  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.980   3.323   2.191  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.747   3.033   1.638  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.619   2.896   0.268  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.724   3.048  -0.548  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.957   3.338   0.005  1.00  0.00           C  
HETATM   38  H   UNL     1       6.760   2.001   0.793  1.00  0.00           H  
HETATM   39  H   UNL     1       9.038   1.480   0.024  1.00  0.00           H  
HETATM   40  H   UNL     1       4.448  -0.513   2.137  1.00  0.00           H  
HETATM   41  H   UNL     1       4.810   1.225   2.007  1.00  0.00           H  
HETATM   42  H   UNL     1       5.894  -2.164   1.108  1.00  0.00           H  
HETATM   43  H   UNL     1       4.249   0.237  -0.579  1.00  0.00           H  
HETATM   44  H   UNL     1       8.166  -2.706   0.338  1.00  0.00           H  
HETATM   45  H   UNL     1      11.392  -2.420  -0.761  1.00  0.00           H  
HETATM   46  H   UNL     1      10.725   0.973  -0.546  1.00  0.00           H  
HETATM   47  H   UNL     1      11.899  -0.162  -0.942  1.00  0.00           H  
HETATM   48  H   UNL     1       1.666  -0.185  -1.223  1.00  0.00           H  
HETATM   49  H   UNL     1       1.503   1.946  -2.481  1.00  0.00           H  
HETATM   50  H   UNL     1       2.181   2.821  -1.086  1.00  0.00           H  
HETATM   51  H   UNL     1       3.178   1.636  -1.964  1.00  0.00           H  
HETATM   52  H   UNL     1       0.191   1.536   0.619  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.320   0.573   0.445  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.486   2.944   0.324  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.189   3.068  -1.307  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.326   1.151  -2.265  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.197  -0.371   1.018  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.618   0.041   0.029  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.058  -5.407   1.430  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.846  -4.816   2.335  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.251  -3.829  -0.037  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.822  -2.650   1.766  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.227  -1.663  -0.605  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.049   3.696   1.808  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.080   3.430   3.261  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.821   3.457  -0.632  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.883   2.915   2.275  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.624   2.942  -1.618  1.00  0.00           H  
CONECT    1    2   10   10   38                                       
CONECT    2    1    3    5    5                                       
CONECT    3    2    4   40   41                                       
CONECT    4    3   12   43                                            
CONECT    5    2    2    6   42                                       
CONECT    6    5    7    7   44                                       
CONECT    7    6    6    8   10                                       
CONECT    8    7    9    9   11                                       
CONECT    9    8    8   45                                            
CONECT   10    1    1    7   39                                       
CONECT   11    8   46   47                                            
CONECT   12    4   13   16   16                                       
CONECT   13   12   14   15   48                                       
CONECT   14   13   49   50   51                                       
CONECT   15   13   17   52                                            
CONECT   16   12   12                                                 
CONECT   17   15   18   21   21                                       
CONECT   18   17   19   20   53                                       
CONECT   19   18   35   54   55                                       
CONECT   20   18   22   56                                            
CONECT   21   17   17                                                 
CONECT   22   20   23   24   24                                       
CONECT   22   25   25                                                 
CONECT   23   22   29   57   58                                       
CONECT   24   22   22                                                 
CONECT   25   22   22                                                 
CONECT   26   27   31   31   59                                       
CONECT   27   26   28   28   60                                       
CONECT   28   27   27   29   62                                       
CONECT   29   23   28   30   30                                       
CONECT   30   29   29   31   63                                       
CONECT   31   26   26   30   61                                       
CONECT   32   33   37   37   64                                       
CONECT   33   32   34   34   65                                       
CONECT   34   33   33   35   67                                       
CONECT   35   19   34   36   36                                       
CONECT   36   35   35   37   68                                       
CONECT   37   32   32   36   66                                       
CONECT   38    1                                                      
CONECT   39   10                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   31                                                      
CONECT   62   28                                                      
CONECT   63   30                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   37                                                      
CONECT   67   34                                                      
CONECT   68   36                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
