COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.390  -1.005   1.254  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.227  -0.159   0.113  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.598  -2.298   1.048  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.183  -1.975   0.816  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.158  -3.043  -0.167  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.473  -4.287  -0.323  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.651  -3.305   0.053  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.201  -3.936  -1.105  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.365  -1.973   0.297  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.774  -1.317   1.421  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.846  -2.231   0.577  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.486   4.021  -0.496  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.615   5.454  -0.201  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.244   3.466   0.205  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.110   1.973  -0.103  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.950   1.454   0.551  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.352   1.235   0.400  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.594   1.790  -0.300  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.787   1.082   0.183  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.728   3.283   0.007  1.00  0.00           C  
HETATM   21  C   UNL     1       0.241   1.525  -0.235  1.00  0.00           C  
HETATM   22  C   UNL     1       1.460   1.061   0.592  1.00  0.00           C  
HETATM   23  C   UNL     1       2.334   0.293  -0.424  1.00  0.00           C  
HETATM   24  C   UNL     1       1.539   0.384  -1.746  1.00  0.00           C  
HETATM   25  O   UNL     1       0.170   0.597  -1.339  1.00  0.00           O  
HETATM   26  C   UNL     1       1.664  -0.922  -2.533  1.00  0.00           C  
HETATM   27  C   UNL     1       7.235  -0.711   0.730  1.00  0.00           C  
HETATM   28  C   UNL     1       6.933   0.723   1.175  1.00  0.00           C  
HETATM   29  C   UNL     1       5.846   1.309   0.268  1.00  0.00           C  
HETATM   30  C   UNL     1       4.608   0.411   0.324  1.00  0.00           C  
HETATM   31  O   UNL     1       3.610   0.921  -0.563  1.00  0.00           O  
HETATM   32  C   UNL     1       5.943  -1.531   0.767  1.00  0.00           C  
HETATM   33  O   UNL     1       4.964  -0.915  -0.072  1.00  0.00           O  
HETATM   34  C   UNL     1       6.224  -2.950   0.267  1.00  0.00           C  
HETATM   35  N   UNL     1      -7.531  -0.952   0.811  1.00  0.00           N  
HETATM   36  O   UNL     1       2.170   2.187   1.113  1.00  0.00           O  
HETATM   37  O   UNL     1       6.475   0.717   2.528  1.00  0.00           O  
HETATM   38  O   UNL     1       7.754  -0.699  -0.601  1.00  0.00           O  
HETATM   39  O   UNL     1       1.021  -0.778  -3.801  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.084   4.155  -0.266  1.00  0.00           O  
HETATM   41  N   UNL     1       4.984  -3.736   0.303  1.00  0.00           N  
HETATM   42  N   UNL     1       6.343   1.377  -1.113  1.00  0.00           N  
HETATM   43  H   UNL     1      -3.023  -0.491   2.142  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.688  -2.925   1.935  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.792  -1.479   1.603  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.651  -2.809   0.614  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.022  -2.436  -1.062  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.777  -4.813  -1.075  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.784  -3.954   0.919  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.792  -4.785  -1.323  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.266  -1.341  -0.586  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.296  -2.733  -0.280  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.945  -2.863   1.460  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.390   3.879  -1.572  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.428   5.845  -0.652  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.641   5.618   0.795  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.340   3.608   1.281  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.014   1.831  -1.179  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.448   1.377   1.477  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.498   1.648  -1.377  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.603   1.344  -0.349  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.647   0.083   0.162  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.824   3.425   1.084  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.613   3.679  -0.492  1.00  0.00           H  
HETATM   65  H   UNL     1       0.394   2.540  -0.600  1.00  0.00           H  
HETATM   66  H   UNL     1       1.144   0.403   1.402  1.00  0.00           H  
HETATM   67  H   UNL     1       2.452  -0.746  -0.118  1.00  0.00           H  
HETATM   68  H   UNL     1       1.893   1.224  -2.344  1.00  0.00           H  
HETATM   69  H   UNL     1       2.718  -1.156  -2.685  1.00  0.00           H  
HETATM   70  H   UNL     1       1.189  -1.730  -1.975  1.00  0.00           H  
HETATM   71  H   UNL     1       7.968  -1.155   1.404  1.00  0.00           H  
HETATM   72  H   UNL     1       7.838   1.327   1.097  1.00  0.00           H  
HETATM   73  H   UNL     1       5.587   2.311   0.611  1.00  0.00           H  
HETATM   74  H   UNL     1       4.216   0.394   1.341  1.00  0.00           H  
HETATM   75  H   UNL     1       5.569  -1.574   1.790  1.00  0.00           H  
HETATM   76  H   UNL     1       6.597  -2.907  -0.756  1.00  0.00           H  
HETATM   77  H   UNL     1       6.971  -3.419   0.907  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.545  -0.392  -0.028  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.465  -1.101   1.163  1.00  0.00           H  
HETATM   80  H   UNL     1       1.647   2.739   1.711  1.00  0.00           H  
HETATM   81  H   UNL     1       7.112   0.352   3.158  1.00  0.00           H  
HETATM   82  H   UNL     1       8.572  -0.192  -0.700  1.00  0.00           H  
HETATM   83  H   UNL     1       1.061  -1.569  -4.355  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.101   5.108  -0.104  1.00  0.00           H  
HETATM   85  H   UNL     1       5.143  -4.678  -0.023  1.00  0.00           H  
HETATM   86  H   UNL     1       4.583  -3.737   1.229  1.00  0.00           H  
HETATM   87  H   UNL     1       5.643   1.760  -1.730  1.00  0.00           H  
HETATM   88  H   UNL     1       7.200   1.907  -1.163  1.00  0.00           H  
CONECT    1   10    2    3   43                                       
CONECT    2    1   17                                                 
CONECT    3    1    4    5   44                                       
CONECT    4    3   45   46                                            
CONECT    5    3    7    6   47                                       
CONECT    6    5   48                                                 
CONECT    7    5    9    8   49                                       
CONECT    8    7   50                                                 
CONECT    9    7   10   11   51                                       
CONECT   10    1    9                                                 
CONECT   11    9   35   52   53                                       
CONECT   12   13   14   20   54                                       
CONECT   13   12   55   56                                            
CONECT   14   12   40   15   57                                       
CONECT   15   14   16   17   58                                       
CONECT   16   15   21                                                 
CONECT   17    2   15   18   59                                       
CONECT   18   17   20   19   60                                       
CONECT   19   18   61   62                                            
CONECT   20   12   18   63   64                                       
CONECT   21   16   22   25   65                                       
CONECT   22   21   36   23   66                                       
CONECT   23   22   31   24   67                                       
CONECT   24   23   25   26   68                                       
CONECT   25   21   24                                                 
CONECT   26   24   39   69   70                                       
CONECT   27   28   32   38   71                                       
CONECT   28   27   29   37   72                                       
CONECT   29   28   42   30   73                                       
CONECT   30   29   33   31   74                                       
CONECT   31   23   30                                                 
CONECT   32   27   33   34   75                                       
CONECT   33   30   32                                                 
CONECT   34   32   41   76   77                                       
CONECT   35   11   78   79                                            
CONECT   36   22   80                                                 
CONECT   37   28   81                                                 
CONECT   38   27   82                                                 
CONECT   39   26   83                                                 
CONECT   40   14   84                                                 
CONECT   41   34   85   86                                            
CONECT   42   29   87   88                                            
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   32                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
