COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.175  -1.175   2.936  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.803  -0.757   2.614  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.420   0.527   2.938  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.621   0.981   1.905  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.535  -0.044   0.939  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.282  -1.117   1.389  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.569  -2.358   0.763  1.00  0.00           C  
HETATM    8  C   UNL     1       0.020   2.312   1.813  1.00  0.00           C  
HETATM    9  C   UNL     1       0.211   0.031  -0.337  1.00  0.00           C  
HETATM   10  C   UNL     1       1.659  -0.448  -0.205  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.249  -3.656   2.701  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.004  -3.479   1.360  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.271  -4.742   0.683  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.663  -5.667   1.570  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.624  -4.896   2.830  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.984  -5.586   4.093  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.113  -4.918  -0.791  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.056  -7.085   1.414  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.850  -8.000   1.541  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.040  -3.578   5.498  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.149  -4.921   5.245  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.505  -5.528   6.537  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.587  -4.544   7.464  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.288  -3.262   6.809  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.278  -2.065   7.412  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.722  -6.993   6.708  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.918  -4.653   8.913  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.653  -4.862   9.733  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.974  -5.034  11.197  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.865  -5.211  11.957  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.108  -4.999  11.658  1.00  0.00           O  
HETATM   32  N   UNL     1      -2.494  -0.723   5.466  1.00  0.00           N  
HETATM   33  C   UNL     1      -2.964  -0.815   6.676  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.177   0.477   7.360  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.780   1.343   6.417  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.346   0.624   5.226  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.866   1.194   4.110  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.762   2.832   6.514  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.707   0.677   8.728  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.577   0.689   9.751  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.112   0.837  11.154  1.00  0.00           C  
HETATM   42  O   UNL     1      -2.128   0.871  12.087  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.302   0.937  11.426  1.00  0.00           O  
HETATM   44  H   UNL     1      -3.139  -1.782   3.844  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.798  -0.290   3.092  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.581  -1.756   2.103  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.385  -2.384  -0.309  1.00  0.00           H  
HETATM   48  H   UNL     1       0.729   2.349   0.971  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.721   3.115   1.667  1.00  0.00           H  
HETATM   50  H   UNL     1       0.573   2.565   2.732  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.287  -0.567  -1.122  1.00  0.00           H  
HETATM   52  H   UNL     1       0.217   1.064  -0.731  1.00  0.00           H  
HETATM   53  H   UNL     1       2.205   0.160   0.525  1.00  0.00           H  
HETATM   54  H   UNL     1       2.185  -0.382  -1.162  1.00  0.00           H  
HETATM   55  H   UNL     1       1.695  -1.490   0.131  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.111  -6.662   4.056  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.720  -5.912  -1.004  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.425  -4.168  -1.182  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.079  -4.800  -1.283  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.803  -7.338   2.178  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.523  -7.215   0.429  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.143  -9.049   1.432  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.370  -7.877   2.517  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.104  -7.771   0.773  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.788  -2.898   4.799  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.505  -1.979   8.468  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.485  -7.287   7.731  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.083  -7.548   6.020  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.763  -7.242   6.497  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.576  -5.522   9.027  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.466  -3.756   9.219  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.153  -5.784   9.413  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.921  -4.056   9.605  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.029  -5.311  12.919  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.775   2.278   4.084  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.167   3.249   5.701  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.330   3.137   7.468  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.780   3.219   6.449  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.382  -0.162   8.946  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.293   1.606   8.758  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.036  -0.265   9.724  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.833   1.469   9.553  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.434   0.983  13.013  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    1    3    6                                            
CONECT    3    2    4    4   37                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6    6    9                                       
CONECT    6    2    5    5    7                                       
CONECT    7    6   12   12   47                                       
CONECT    8    4   48   49   50                                       
CONECT    9    5   10   51   52                                       
CONECT   10    9   53   54   55                                       
CONECT   11   12   15   15                                            
CONECT   12    7    7   11   13                                       
CONECT   13   12   14   14   17                                       
CONECT   14   13   13   15   18                                       
CONECT   15   11   11   14   16                                       
CONECT   16   15   21   21   56                                       
CONECT   17   13   57   58   59                                       
CONECT   18   14   19   60   61                                       
CONECT   19   18   62   63   64                                       
CONECT   20   21   24   65                                            
CONECT   21   16   16   20   22                                       
CONECT   22   21   23   23   26                                       
CONECT   23   22   22   24   27                                       
CONECT   24   20   23   25   25                                       
CONECT   25   24   24   33   66                                       
CONECT   26   22   67   68   69                                       
CONECT   27   23   28   70   71                                       
CONECT   28   27   29   72   73                                       
CONECT   29   28   30   31   31                                       
CONECT   30   29   74                                                 
CONECT   31   29   29                                                 
CONECT   32   33   33   36                                            
CONECT   33   25   32   32   34                                       
CONECT   34   33   35   35   39                                       
CONECT   35   34   34   36   38                                       
CONECT   36   32   35   37   37                                       
CONECT   37    3   36   36   75                                       
CONECT   38   35   76   77   78                                       
CONECT   39   34   40   79   80                                       
CONECT   40   39   41   81   82                                       
CONECT   41   40   42   43   43                                       
CONECT   42   41   83                                                 
CONECT   43   41   41                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   30                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   42                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
