COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.412   2.024  -0.836  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.896   1.521   0.525  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.403   1.751   0.281  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.779   2.915   0.932  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.298   3.813   1.435  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.524   0.534   0.144  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.008  -0.575   0.228  1.00  0.00           O  
HETATM    8  N   UNL     1      -5.202   0.679  -0.072  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.348  -0.504  -0.205  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.381  -0.997  -1.653  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.974   0.143  -2.589  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.406  -2.164  -1.817  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.797  -1.462  -2.001  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.933  -0.147   0.172  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.520   0.977  -0.019  1.00  0.00           O  
HETATM   16  N   UNL     1      -2.127  -1.077   0.721  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.524  -2.448   1.091  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.515  -2.871   2.188  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.892  -2.343   3.461  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.206  -2.211   1.678  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.704  -0.895   1.044  1.00  0.00           C  
HETATM   22  C   UNL     1       0.080  -0.601  -0.209  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.489  -0.536  -1.279  1.00  0.00           O  
HETATM   24  N   UNL     1       1.412  -0.411  -0.142  1.00  0.00           N  
HETATM   25  C   UNL     1       2.174  -0.125  -1.360  1.00  0.00           C  
HETATM   26  C   UNL     1       3.631   0.044  -1.013  1.00  0.00           C  
HETATM   27  C   UNL     1       4.473  -1.053  -1.020  1.00  0.00           C  
HETATM   28  C   UNL     1       5.807  -0.905  -0.704  1.00  0.00           C  
HETATM   29  C   UNL     1       4.121   1.298  -0.695  1.00  0.00           C  
HETATM   30  C   UNL     1       5.454   1.461  -0.378  1.00  0.00           C  
HETATM   31  C   UNL     1       6.308   0.357  -0.377  1.00  0.00           C  
HETATM   32  C   UNL     1       7.737   0.523  -0.037  1.00  0.00           C  
HETATM   33  S   UNL     1       9.101  -0.142  -0.932  1.00  0.00           S  
HETATM   34  C   UNL     1      10.189   0.564   0.182  1.00  0.00           C  
HETATM   35  N   UNL     1       9.542   1.210   1.094  1.00  0.00           N  
HETATM   36  C   UNL     1       8.230   1.218   1.011  1.00  0.00           C  
HETATM   37  C   UNL     1       7.352   1.931   2.006  1.00  0.00           C  
HETATM   38  H   UNL     1      -8.440   1.323  -1.671  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.613   3.065  -1.090  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.417   2.231   1.168  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.244   0.490   0.586  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.815   1.566  -0.139  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.712  -1.291   0.455  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.966   0.474  -2.341  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.998  -0.208  -3.621  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.669   0.975  -2.472  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.734  -3.001  -1.200  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.380  -2.472  -2.862  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.409  -1.852  -1.505  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.492  -0.630  -1.884  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.821  -1.813  -3.033  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.087  -2.274  -1.334  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.539  -2.455   1.487  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.449  -3.111   0.229  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.416  -3.955   2.231  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.752  -2.652   3.776  1.00  0.00           H  
HETATM   57  H   UNL     1       0.475  -2.007   2.504  1.00  0.00           H  
HETATM   58  H   UNL     1       0.271  -2.843   0.929  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.592  -0.076   1.754  1.00  0.00           H  
HETATM   60  H   UNL     1       1.867  -0.463   0.714  1.00  0.00           H  
HETATM   61  H   UNL     1       2.062  -0.952  -2.061  1.00  0.00           H  
HETATM   62  H   UNL     1       1.800   0.791  -1.816  1.00  0.00           H  
HETATM   63  H   UNL     1       4.084  -2.029  -1.273  1.00  0.00           H  
HETATM   64  H   UNL     1       6.464  -1.762  -0.709  1.00  0.00           H  
HETATM   65  H   UNL     1       3.460   2.152  -0.696  1.00  0.00           H  
HETATM   66  H   UNL     1       5.836   2.440  -0.130  1.00  0.00           H  
HETATM   67  H   UNL     1      11.265   0.482   0.130  1.00  0.00           H  
HETATM   68  H   UNL     1       7.104   2.923   1.627  1.00  0.00           H  
HETATM   69  H   UNL     1       6.435   1.360   2.156  1.00  0.00           H  
HETATM   70  H   UNL     1       7.880   2.027   2.954  1.00  0.00           H  
CONECT    1    3    2   38   39                                       
CONECT    2    3    1   40   41                                       
CONECT    3    6    4    2    1                                       
CONECT    4    5    5    5    3                                       
CONECT    5    4    4    4                                            
CONECT    6    8    7    7    3                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   42                                            
CONECT    9   14   10    8   43                                       
CONECT   10   13    9   11   12                                       
CONECT   11   10   44   45   46                                       
CONECT   12   10   47   48   49                                       
CONECT   13   10   50   51   52                                       
CONECT   14   16   15   15    9                                       
CONECT   15   14   14                                                 
CONECT   16   21   17   14                                            
CONECT   17   18   16   53   54                                       
CONECT   18   20   19   17   55                                       
CONECT   19   18   56                                                 
CONECT   20   21   18   57   58                                       
CONECT   21   22   20   16   59                                       
CONECT   22   24   23   23   21                                       
CONECT   23   22   22                                                 
CONECT   24   25   22   60                                            
CONECT   25   26   24   61   62                                       
CONECT   26   29   29   27   25                                       
CONECT   27   28   28   26   63                                       
CONECT   28   31   27   27   64                                       
CONECT   29   30   26   26   65                                       
CONECT   30   31   31   29   66                                       
CONECT   31   32   30   30   28                                       
CONECT   32   36   36   33   31                                       
CONECT   33   34   32                                                 
CONECT   34   35   35   33   67                                       
CONECT   35   34   34   36                                            
CONECT   36   35   37   32   32                                       
CONECT   37   36   68   69   70                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   34                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
