COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.796  -0.206   3.469  1.00  0.00           C  
HETATM    2  CA  UNL     1       1.814   0.220   2.023  1.00  0.00           C  
HETATM    3  N   UNL     1       2.975  -0.373   1.354  1.00  0.00           N  
HETATM    4  O   UNL     1       2.666  -0.926   3.897  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.531   0.845   0.914  1.00  0.00           C  
HETATM    6  C   UNL     1       6.018  -2.230  -0.936  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.314   0.165  -0.060  1.00  0.00           C  
HETATM    8  C   UNL     1       5.127  -1.641  -0.114  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.270   0.359   0.715  1.00  0.00           C  
HETATM   10  C   UNL     1       4.529  -3.747   0.368  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.492   1.177   0.478  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.708  -0.305  -1.512  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.769   0.313  -0.291  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.475   0.541  -0.783  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.877   1.310   0.248  1.00  0.00           C  
HETATM   16  C   UNL     1       5.023  -0.173   0.021  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.052   0.730   1.460  1.00  0.00           C  
HETATM   18  C   UNL     1       3.914   0.423   0.804  1.00  0.00           C  
HETATM   19  C   UNL     1       6.784   4.183  -0.695  1.00  0.00           C  
HETATM   20  C   UNL     1       6.492   2.596  -2.578  1.00  0.00           C  
HETATM   21  C   UNL     1       8.232   2.174  -0.835  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.661   0.529   1.887  1.00  0.00           C  
HETATM   23  C   UNL     1       0.532  -0.254   1.336  1.00  0.00           C  
HETATM   24  C   UNL     1       6.829   2.730  -1.092  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.490  -0.619  -0.712  1.00  0.00           N  
HETATM   26  N   UNL     1       4.346  -2.479   0.569  1.00  0.00           N  
HETATM   27  N   UNL     1       5.905   0.598  -0.548  1.00  0.00           N  
HETATM   28  N   UNL     1      -8.376  -0.415  -1.271  1.00  0.00           N  
HETATM   29  N   UNL     1       3.818  -4.764   0.982  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.871   0.162   1.146  1.00  0.00           N  
HETATM   31  N   UNL     1       0.640  -0.028  -0.107  1.00  0.00           N  
HETATM   32  O   UNL     1       7.525   5.083  -1.360  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.588  -2.093  -0.990  1.00  0.00           O  
HETATM   34  O   UNL     1     -10.551   2.073   0.926  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.114   1.547   2.358  1.00  0.00           O  
HETATM   36  O   UNL     1       3.852   1.627   0.950  1.00  0.00           O  
HETATM   37  O   UNL     1       6.081   4.538   0.221  1.00  0.00           O  
HETATM   38  O   UNL     1       0.705  -0.776  -2.458  1.00  0.00           O  
HETATM   39  O   UNL     1       1.745  -2.164  -0.659  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.359  -0.524  -0.298  1.00  0.00           O  
HETATM   41  O   UNL     1     -11.807   0.654  -1.039  1.00  0.00           O  
HETATM   42  O   UNL     1      -7.602  -1.309  -2.051  1.00  0.00           O  
HETATM   43  O   UNL     1       5.877   1.995  -0.319  1.00  0.00           O  
HETATM   44  S   UNL     1       5.816  -3.976  -0.812  1.00  0.00           S  
HETATM   45  S   UNL     1       0.713  -1.317  -1.144  1.00  0.00           S  
HETATM   46  H   UNL     1       1.008   0.136   4.123  1.00  0.00           H  
HETATM   47  HA  UNL     1       1.877   1.307   1.966  1.00  0.00           H  
HETATM   48  H   UNL     1       3.067  -1.337   1.307  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.857   1.577   1.638  1.00  0.00           H  
HETATM   50  H   UNL     1       6.730  -1.719  -1.567  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.010   1.749   1.257  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.160  -0.892  -2.298  1.00  0.00           H  
HETATM   53  H   UNL     1       7.218   3.156  -3.167  1.00  0.00           H  
HETATM   54  H   UNL     1       6.525   1.545  -2.865  1.00  0.00           H  
HETATM   55  H   UNL     1       5.493   2.991  -2.761  1.00  0.00           H  
HETATM   56  H   UNL     1       8.472   2.270   0.224  1.00  0.00           H  
HETATM   57  H   UNL     1       8.264   1.123  -1.122  1.00  0.00           H  
HETATM   58  H   UNL     1       8.958   2.735  -1.424  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.795   0.292   2.943  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.478   1.598   1.775  1.00  0.00           H  
HETATM   61  H   UNL     1       0.389  -1.317   1.528  1.00  0.00           H  
HETATM   62  H   UNL     1       3.119  -4.551   1.620  1.00  0.00           H  
HETATM   63  H   UNL     1       4.019  -5.690   0.774  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.821  -0.491   0.430  1.00  0.00           H  
HETATM   65  H   UNL     1       0.668   0.877  -0.456  1.00  0.00           H  
HETATM   66  H   UNL     1       7.463   6.003  -1.069  1.00  0.00           H  
HETATM   67  H   UNL     1     -12.266   1.282  -0.465  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.110  -1.788  -2.720  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.649  -2.874  -1.557  1.00  0.00           H  
CONECT    1    4    4    2   46                                       
CONECT    2    3    1   23   47                                       
CONECT    3   18    2   48                                            
CONECT    4    1    1                                                 
CONECT    5    9    9    7   49                                       
CONECT    6   44    8    8   50                                       
CONECT    7    5   13   25   25                                       
CONECT    8   26    6    6   16                                       
CONECT    9   17    5    5   40                                       
CONECT   10   29   26   26   44                                       
CONECT   11   13   13   15   51                                       
CONECT   12   28   14   14   52                                       
CONECT   13   28    7   11   11                                       
CONECT   14   12   12   41   15                                       
CONECT   15   14   11   34   34                                       
CONECT   16   27   27    8   18                                       
CONECT   17   35   35   30    9                                       
CONECT   18   16    3   36   36                                       
CONECT   19   37   37   24   32                                       
CONECT   20   24   53   54   55                                       
CONECT   21   24   56   57   58                                       
CONECT   22   23   30   59   60                                       
CONECT   23   31    2   22   61                                       
CONECT   24   21   19   20   43                                       
CONECT   25    7    7   40                                            
CONECT   26   10   10    8                                            
CONECT   27   43   16   16                                            
CONECT   28   42   12   13                                            
CONECT   29   10   62   63                                            
CONECT   30   17   22   64                                            
CONECT   31   45   23   65                                            
CONECT   32   19   66                                                 
CONECT   33   45   69                                                 
CONECT   34   15   15                                                 
CONECT   35   17   17                                                 
CONECT   36   18   18                                                 
CONECT   37   19   19                                                 
CONECT   38   45   45                                                 
CONECT   39   45   45                                                 
CONECT   40    9   25                                                 
CONECT   41   14   67                                                 
CONECT   42   28   68                                                 
CONECT   43   24   27                                                 
CONECT   44   10    6                                                 
CONECT   45   38   38   31   39                                       
CONECT   45   39   33                                                 
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   41                                                      
CONECT   68   42                                                      
CONECT   69   33                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
