COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.114  -1.041   1.163  1.00  0.00           C  
HETATM    2  C   UNL     1       1.916  -1.486   0.633  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.540  -2.457  -0.365  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.024  -3.853  -0.723  1.00  0.00           C  
HETATM    5  C   UNL     1       6.574   1.708   4.310  1.00  0.00           C  
HETATM    6  C   UNL     1       6.443   1.245   2.882  1.00  0.00           C  
HETATM    7  C   UNL     1       7.542   1.248   2.042  1.00  0.00           C  
HETATM    8  N   UNL     1       7.442   0.845   0.790  1.00  0.00           N  
HETATM    9  C   UNL     1       6.302   0.424   0.283  1.00  0.00           C  
HETATM   10  C   UNL     1       5.147   0.391   1.065  1.00  0.00           C  
HETATM   11  C   UNL     1       5.222   0.807   2.398  1.00  0.00           C  
HETATM   12  C   UNL     1       3.865  -0.083   0.494  1.00  0.00           C  
HETATM   13  C   UNL     1       1.448  -0.989  -0.573  1.00  0.00           C  
HETATM   14  N   UNL     1       0.235  -1.449  -1.094  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.939  -4.903  -0.071  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.134  -4.506   1.410  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.358  -3.566   1.409  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.790  -3.480  -0.073  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.286  -4.756  -0.684  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.017  -2.337  -0.750  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.553  -0.992  -0.253  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.999  -0.815  -0.721  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.490   0.583  -0.340  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.881   0.805  -0.928  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.283   2.274  -0.779  1.00  0.00           C  
HETATM   26  S   UNL     1      -6.402   2.678   0.988  1.00  0.00           S  
HETATM   27  O   UNL     1      -6.513   4.088   1.125  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.385   1.841   1.581  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.764   2.164   1.582  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.525   0.706   1.181  1.00  0.00           C  
HETATM   31  C   UNL     1       2.187  -0.028  -1.268  1.00  0.00           C  
HETATM   32  N   UNL     1       1.733   0.475  -2.471  1.00  0.00           N  
HETATM   33  C   UNL     1       2.449   1.401  -3.136  1.00  0.00           C  
HETATM   34  O   UNL     1       2.033   1.835  -4.197  1.00  0.00           O  
HETATM   35  C   UNL     1       3.675   1.877  -2.623  1.00  0.00           C  
HETATM   36  C   UNL     1       4.457   2.913  -3.387  1.00  0.00           C  
HETATM   37  C   UNL     1       4.151   1.405  -1.445  1.00  0.00           C  
HETATM   38  C   UNL     1       3.399   0.437  -0.732  1.00  0.00           C  
HETATM   39  H   UNL     1       3.466  -1.437   2.104  1.00  0.00           H  
HETATM   40  H   UNL     1       1.340  -2.229   1.164  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.430  -2.293   0.707  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.036  -3.981  -1.805  1.00  0.00           H  
HETATM   43  H   UNL     1       0.993  -3.974  -0.350  1.00  0.00           H  
HETATM   44  H   UNL     1       6.381   2.780   4.363  1.00  0.00           H  
HETATM   45  H   UNL     1       5.853   1.178   4.932  1.00  0.00           H  
HETATM   46  H   UNL     1       7.583   1.502   4.667  1.00  0.00           H  
HETATM   47  H   UNL     1       8.496   1.586   2.418  1.00  0.00           H  
HETATM   48  H   UNL     1       6.260   0.102  -0.747  1.00  0.00           H  
HETATM   49  H   UNL     1       4.348   0.790   3.033  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.093  -1.102  -1.938  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.545  -5.914  -0.178  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.335  -5.389   2.017  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.253  -3.984   1.783  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.160  -3.987   2.015  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.079  -2.580   1.782  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.869  -3.371  -0.182  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.882  -5.533  -0.443  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.140  -2.404  -1.831  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.518  -0.967   0.836  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.939  -0.186  -0.655  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.047  -0.934  -1.804  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.630  -1.565  -0.244  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.806   1.328  -0.745  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.873   0.537  -1.985  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.601   0.179  -0.402  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.531   2.908  -1.249  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.248   2.438  -1.258  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.998   2.796   1.134  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.725   2.254   2.667  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.328   0.085   1.577  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.573   0.369   1.592  1.00  0.00           H  
HETATM   72  H   UNL     1       0.892   0.160  -2.839  1.00  0.00           H  
HETATM   73  H   UNL     1       3.923   3.170  -4.302  1.00  0.00           H  
HETATM   74  H   UNL     1       4.575   3.806  -2.773  1.00  0.00           H  
HETATM   75  H   UNL     1       5.439   2.514  -3.640  1.00  0.00           H  
HETATM   76  H   UNL     1       5.089   1.767  -1.050  1.00  0.00           H  
CONECT    1   12    2    2   39                                       
CONECT    2    1    1   13   40                                       
CONECT    3   20   14    4   41                                       
CONECT    4    3   15   42   43                                       
CONECT    5    6   44   45   46                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   47                                       
CONECT    8    7    9    9                                            
CONECT    9    8    8   10   48                                       
CONECT   10   11   11    9   12                                       
CONECT   11    6   10   10   49                                       
CONECT   12   10   38   38    1                                       
CONECT   13   31   31    2   14                                       
CONECT   14   13    3   50                                            
CONECT   15   19    4   16   51                                       
CONECT   16   17   15   52   53                                       
CONECT   17   18   16   54   55                                       
CONECT   18   20   17   19   56                                       
CONECT   19   18   15   57                                            
CONECT   20   21   18    3   58                                       
CONECT   21   22   20   59   60                                       
CONECT   22   23   21   61   62                                       
CONECT   23   30   24   22   63                                       
CONECT   24   25   23   64   65                                       
CONECT   25   26   24   66   67                                       
CONECT   26   27   27   28   28                                       
CONECT   26   29   25                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   26   30   68   69                                       
CONECT   30   29   23   70   71                                       
CONECT   31   38   32   13   13                                       
CONECT   32   33   31   72                                            
CONECT   33   35   34   34   32                                       
CONECT   34   33   33                                                 
CONECT   35   36   37   37   33                                       
CONECT   36   35   73   74   75                                       
CONECT   37   35   35   38   76                                       
CONECT   38   37   12   12   31                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
