COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.257  -0.063   0.160  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.072  -0.288   0.315  1.00  0.00           O  
HETATM    3  N   UNL     1      -4.078  -0.006   1.227  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.549  -0.092   2.523  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.306   0.442   2.794  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.782   0.354   4.090  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.527  -0.277   5.104  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.779  -0.809   4.808  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.283  -0.716   3.531  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.780  -0.220   6.259  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.592   0.429   5.989  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.572   0.793   4.680  1.00  0.00           C  
HETATM   13  C   UNL     1       0.476   0.692   6.963  1.00  0.00           C  
HETATM   14  O   UNL     1       1.460   1.325   6.631  1.00  0.00           O  
HETATM   15  N   UNL     1       0.365   0.231   8.225  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.772  -0.531   8.744  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.424  -0.817  10.214  1.00  0.00           C  
HETATM   18  C   UNL     1       0.926  -0.171  10.421  1.00  0.00           C  
HETATM   19  C   UNL     1       1.321   0.412   9.233  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.338  -2.325  10.459  1.00  0.00           C  
HETATM   21  C   UNL     1       2.553   1.079   9.170  1.00  0.00           C  
HETATM   22  C   UNL     1       3.373   1.157  10.274  1.00  0.00           C  
HETATM   23  O   UNL     1       4.564   1.808  10.191  1.00  0.00           O  
HETATM   24  C   UNL     1       2.983   0.569  11.478  1.00  0.00           C  
HETATM   25  C   UNL     1       1.750  -0.098  11.547  1.00  0.00           C  
HETATM   26  C   UNL     1       1.635  -0.596  12.920  1.00  0.00           C  
HETATM   27  C   UNL     1       2.748  -0.219  13.569  1.00  0.00           C  
HETATM   28  C   UNL     1       0.486  -1.383  13.495  1.00  0.00           C  
HETATM   29  N   UNL     1       3.567   0.478  12.725  1.00  0.00           N  
HETATM   30  N   UNL     1      -3.749   0.129  -1.079  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.926  -0.059  -2.197  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.127   0.696  -3.334  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.298   0.508  -4.448  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.275  -0.458  -4.401  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.093  -1.213  -3.247  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.911  -1.015  -2.158  1.00  0.00           C  
HETATM   37  N   UNL     1      -0.630  -0.432  -5.618  1.00  0.00           N  
HETATM   38  C   UNL     1      -1.227   0.524  -6.417  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.242   1.109  -5.729  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.826   0.856  -7.791  1.00  0.00           C  
HETATM   41  O   UNL     1      -1.385   1.758  -8.387  1.00  0.00           O  
HETATM   42  N   UNL     1       0.160   0.162  -8.392  1.00  0.00           N  
HETATM   43  C   UNL     1       0.910  -0.935  -7.777  1.00  0.00           C  
HETATM   44  C   UNL     1       1.909  -1.390  -8.853  1.00  0.00           C  
HETATM   45  C   UNL     1       1.636  -0.483 -10.033  1.00  0.00           C  
HETATM   46  C   UNL     1       0.614   0.380  -9.699  1.00  0.00           C  
HETATM   47  C   UNL     1       1.658  -2.851  -9.230  1.00  0.00           C  
HETATM   48  C   UNL     1       0.178   1.325 -10.638  1.00  0.00           C  
HETATM   49  C   UNL     1       0.755   1.401 -11.888  1.00  0.00           C  
HETATM   50  O   UNL     1       0.316   2.325 -12.783  1.00  0.00           O  
HETATM   51  C   UNL     1       1.789   0.532 -12.234  1.00  0.00           C  
HETATM   52  C   UNL     1       2.227  -0.419 -11.299  1.00  0.00           C  
HETATM   53  C   UNL     1       3.306  -1.163 -11.953  1.00  0.00           C  
HETATM   54  C   UNL     1       3.447  -0.650 -13.185  1.00  0.00           C  
HETATM   55  C   UNL     1       4.105  -2.294 -11.356  1.00  0.00           C  
HETATM   56  N   UNL     1       2.549   0.363 -13.373  1.00  0.00           N  
HETATM   57  H   UNL     1      -5.034   0.094   1.099  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.740   0.925   2.011  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.356  -1.295   5.582  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.255  -1.131   3.308  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.045  -0.578   7.122  1.00  0.00           H  
HETATM   62  H   UNL     1       0.225   1.321   4.178  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.884  -1.465   8.193  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.685   0.059   8.679  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.166  -0.367  10.875  1.00  0.00           H  
HETATM   66  H   UNL     1       0.190  -2.798   9.631  1.00  0.00           H  
HETATM   67  H   UNL     1       0.199  -2.512  11.388  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.344  -2.739  10.531  1.00  0.00           H  
HETATM   69  H   UNL     1       2.863   1.537   8.243  1.00  0.00           H  
HETATM   70  H   UNL     1       4.395   2.731  10.426  1.00  0.00           H  
HETATM   71  H   UNL     1       2.965  -0.435  14.605  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.191  -0.707  14.016  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.050  -1.884  12.689  1.00  0.00           H  
HETATM   74  H   UNL     1       0.868  -2.126  14.194  1.00  0.00           H  
HETATM   75  H   UNL     1       4.428   0.853  12.966  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.673   0.399  -1.197  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.919   1.430  -3.365  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.310  -1.956  -3.205  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.764  -1.603  -1.264  1.00  0.00           H  
HETATM   80  H   UNL     1       0.118  -0.993  -5.872  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.890   1.892  -6.093  1.00  0.00           H  
HETATM   82  H   UNL     1       1.441  -0.581  -6.893  1.00  0.00           H  
HETATM   83  H   UNL     1       0.238  -1.752  -7.514  1.00  0.00           H  
HETATM   84  H   UNL     1       2.932  -1.259  -8.502  1.00  0.00           H  
HETATM   85  H   UNL     1       2.133  -3.502  -8.497  1.00  0.00           H  
HETATM   86  H   UNL     1       0.585  -3.043  -9.246  1.00  0.00           H  
HETATM   87  H   UNL     1       2.076  -3.049 -10.217  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.622   2.002 -10.380  1.00  0.00           H  
HETATM   89  H   UNL     1       0.845   3.123 -12.644  1.00  0.00           H  
HETATM   90  H   UNL     1       4.162  -0.989 -13.920  1.00  0.00           H  
HETATM   91  H   UNL     1       4.937  -1.887 -10.782  1.00  0.00           H  
HETATM   92  H   UNL     1       3.465  -2.884 -10.700  1.00  0.00           H  
HETATM   93  H   UNL     1       4.489  -2.928 -12.155  1.00  0.00           H  
HETATM   94  H   UNL     1       2.460   0.886 -14.185  1.00  0.00           H  
CONECT    1    2    2    3   30                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   57                                            
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   58                                       
CONECT    6    5    7    7   12                                       
CONECT    7    6    6    8   10                                       
CONECT    8    7    9    9   59                                       
CONECT    9    4    8    8   60                                       
CONECT   10    7   11   61                                            
CONECT   11   10   12   12   13                                       
CONECT   12    6   11   11   62                                       
CONECT   13   11   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   19                                            
CONECT   16   15   17   63   64                                       
CONECT   17   16   18   20   65                                       
CONECT   18   17   19   19   25                                       
CONECT   19   15   18   18   21                                       
CONECT   20   17   66   67   68                                       
CONECT   21   19   22   22   69                                       
CONECT   22   21   21   23   24                                       
CONECT   23   22   70                                                 
CONECT   24   22   25   25   29                                       
CONECT   25   18   24   24   26                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26   29   71                                       
CONECT   28   26   72   73   74                                       
CONECT   29   24   27   75                                            
CONECT   30    1   31   76                                            
CONECT   31   30   32   32   36                                       
CONECT   32   31   31   33   77                                       
CONECT   33   32   34   34   39                                       
CONECT   34   33   33   35   37                                       
CONECT   35   34   36   36   78                                       
CONECT   36   31   35   35   79                                       
CONECT   37   34   38   80                                            
CONECT   38   37   39   39   40                                       
CONECT   39   33   38   38   81                                       
CONECT   40   38   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   43   46                                            
CONECT   43   42   44   82   83                                       
CONECT   44   43   45   47   84                                       
CONECT   45   44   46   46   52                                       
CONECT   46   42   45   45   48                                       
CONECT   47   44   85   86   87                                       
CONECT   48   46   49   49   88                                       
CONECT   49   48   48   50   51                                       
CONECT   50   49   89                                                 
CONECT   51   49   52   52   56                                       
CONECT   52   45   51   51   53                                       
CONECT   53   52   54   54   55                                       
CONECT   54   53   53   56   90                                       
CONECT   55   53   91   92   93                                       
CONECT   56   51   54   94                                            
CONECT   57    3                                                      
CONECT   58    5                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   12                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   23                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   32                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   39                                                      
CONECT   82   43                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   47                                                      
CONECT   86   47                                                      
CONECT   87   47                                                      
CONECT   88   48                                                      
CONECT   89   50                                                      
CONECT   90   54                                                      
CONECT   91   55                                                      
CONECT   92   55                                                      
CONECT   93   55                                                      
CONECT   94   56                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
