COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.295  -0.576  -7.179  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.896  -0.993  -7.013  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.187  -0.950  -8.368  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.204  -0.060  -6.053  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.557   1.096  -5.972  1.00  0.00           O  
HETATM    6  N   UNL     1      -2.193  -0.512  -5.285  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.520   0.394  -4.352  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.229   0.351  -2.997  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.085  -0.033  -4.182  1.00  0.00           C  
HETATM   10  O   UNL     1       0.333  -1.001  -4.781  1.00  0.00           O  
HETATM   11  N   UNL     1       0.731   0.659  -3.364  1.00  0.00           N  
HETATM   12  C   UNL     1       2.126   0.242  -3.199  1.00  0.00           C  
HETATM   13  C   UNL     1       2.995   0.946  -4.243  1.00  0.00           C  
HETATM   14  C   UNL     1       2.521   0.574  -5.624  1.00  0.00           C  
HETATM   15  C   UNL     1       1.555   1.338  -6.252  1.00  0.00           C  
HETATM   16  C   UNL     1       3.056  -0.526  -6.266  1.00  0.00           C  
HETATM   17  C   UNL     1       1.119   0.998  -7.519  1.00  0.00           C  
HETATM   18  C   UNL     1       2.617  -0.869  -7.531  1.00  0.00           C  
HETATM   19  C   UNL     1       1.650  -0.106  -8.159  1.00  0.00           C  
HETATM   20  C   UNL     1       2.608   0.619  -1.797  1.00  0.00           C  
HETATM   21  O   UNL     1       2.509   2.034  -1.623  1.00  0.00           O  
HETATM   22  C   UNL     1       1.739  -0.083  -0.752  1.00  0.00           C  
HETATM   23  C   UNL     1       2.221   0.293   0.649  1.00  0.00           C  
HETATM   24  C   UNL     1       1.364  -0.399   1.678  1.00  0.00           C  
HETATM   25  O   UNL     1       0.458  -1.123   1.324  1.00  0.00           O  
HETATM   26  N   UNL     1       1.606  -0.214   2.991  1.00  0.00           N  
HETATM   27  C   UNL     1       0.773  -0.888   3.991  1.00  0.00           C  
HETATM   28  C   UNL     1       1.386  -2.248   4.331  1.00  0.00           C  
HETATM   29  C   UNL     1       2.742  -2.041   5.009  1.00  0.00           C  
HETATM   30  C   UNL     1       0.452  -3.004   5.278  1.00  0.00           C  
HETATM   31  C   UNL     1       0.702  -0.043   5.236  1.00  0.00           C  
HETATM   32  O   UNL     1       1.601   0.727   5.498  1.00  0.00           O  
HETATM   33  N   UNL     1      -0.360  -0.144   6.059  1.00  0.00           N  
HETATM   34  C   UNL     1      -0.376   0.588   7.328  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.999   1.969   7.111  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.430   1.808   6.596  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.016   2.734   8.436  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.191  -0.176   8.339  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.704  -1.225   8.032  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.345   0.308   9.581  1.00  0.00           O  
HETATM   41  C   UNL     1      -2.129  -0.428  10.556  1.00  0.00           C  
HETATM   42  H   UNL     1      -5.688  -1.160  -7.902  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.276   0.364  -7.544  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.865  -2.009  -6.619  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.688  -1.625  -9.062  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.219   0.065  -8.762  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.149  -1.260  -8.245  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.911  -1.438  -5.350  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.552   1.410  -4.746  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.198  -0.664  -2.603  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.729   1.026  -2.303  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.267   0.660  -3.120  1.00  0.00           H  
HETATM   53  H   UNL     1       0.396   1.432  -2.885  1.00  0.00           H  
HETATM   54  H   UNL     1       2.201  -0.836  -3.331  1.00  0.00           H  
HETATM   55  H   UNL     1       2.920   2.025  -4.111  1.00  0.00           H  
HETATM   56  H   UNL     1       4.033   0.636  -4.120  1.00  0.00           H  
HETATM   57  H   UNL     1       1.140   2.201  -5.752  1.00  0.00           H  
HETATM   58  H   UNL     1       3.811  -1.122  -5.776  1.00  0.00           H  
HETATM   59  H   UNL     1       0.364   1.594  -8.009  1.00  0.00           H  
HETATM   60  H   UNL     1       3.032  -1.732  -8.031  1.00  0.00           H  
HETATM   61  H   UNL     1       1.310  -0.372  -9.148  1.00  0.00           H  
HETATM   62  H   UNL     1       3.646   0.310  -1.673  1.00  0.00           H  
HETATM   63  H   UNL     1       1.578   2.266  -1.740  1.00  0.00           H  
HETATM   64  H   UNL     1       1.814  -1.163  -0.884  1.00  0.00           H  
HETATM   65  H   UNL     1       0.701   0.226  -0.875  1.00  0.00           H  
HETATM   66  H   UNL     1       2.145   1.372   0.781  1.00  0.00           H  
HETATM   67  H   UNL     1       3.258  -0.016   0.772  1.00  0.00           H  
HETATM   68  H   UNL     1       2.331   0.364   3.274  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.230  -1.031   3.591  1.00  0.00           H  
HETATM   70  H   UNL     1       1.521  -2.825   3.416  1.00  0.00           H  
HETATM   71  H   UNL     1       3.178  -3.010   5.252  1.00  0.00           H  
HETATM   72  H   UNL     1       3.407  -1.502   4.334  1.00  0.00           H  
HETATM   73  H   UNL     1       2.607  -1.464   5.924  1.00  0.00           H  
HETATM   74  H   UNL     1       0.395  -2.477   6.231  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.542  -3.065   4.837  1.00  0.00           H  
HETATM   76  H   UNL     1       0.838  -4.010   5.443  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.114  -0.701   5.811  1.00  0.00           H  
HETATM   78  H   UNL     1       0.643   0.703   7.694  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.410   2.522   6.380  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.874   2.792   6.442  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.418   1.263   5.653  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.019   1.255   7.328  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.605   2.181   9.167  1.00  0.00           H  
HETATM   84  H   UNL     1       0.003   2.849   8.803  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.459   3.718   8.282  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.142   0.116  11.500  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.150  -0.543  10.189  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.686  -1.412  10.710  1.00  0.00           H  
CONECT    1    2   42   43                                            
CONECT    2    1    3    4   44                                       
CONECT    3    2   45   46   47                                       
CONECT    4    2    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   48                                            
CONECT    7    6    8    9   49                                       
CONECT    8    7   50   51   52                                       
CONECT    9    7   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   53                                            
CONECT   12   11   13   20   54                                       
CONECT   13   12   14   55   56                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14   17   57                                       
CONECT   16   14   18   18   58                                       
CONECT   17   15   19   19   59                                       
CONECT   18   16   16   19   60                                       
CONECT   19   17   17   18   61                                       
CONECT   20   12   21   22   62                                       
CONECT   21   20   63                                                 
CONECT   22   20   23   64   65                                       
CONECT   23   22   24   66   67                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   68                                            
CONECT   27   26   28   31   69                                       
CONECT   28   27   29   30   70                                       
CONECT   29   28   71   72   73                                       
CONECT   30   28   74   75   76                                       
CONECT   31   27   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   77                                            
CONECT   34   33   35   38   78                                       
CONECT   35   34   36   37   79                                       
CONECT   36   35   80   81   82                                       
CONECT   37   35   83   84   85                                       
CONECT   38   34   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41                                                 
CONECT   41   40   86   87   88                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
