COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.813   0.040  -1.674  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.615  -0.825  -2.944  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.319   1.441  -2.030  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.766   2.483  -1.013  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.287   2.471  -0.884  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.753   1.106  -0.354  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.281   0.019  -1.317  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.750  -1.348  -0.820  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.280  -1.396  -0.923  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.915  -0.269  -0.152  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.104  -0.606   1.339  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.274   1.092  -0.351  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.092   1.751   1.974  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.380   0.940   0.743  1.00  0.00           C  
HETATM   15  O   UNL     1       0.150  -0.336   1.719  1.00  0.00           O  
HETATM   16  P   UNL     1       0.250  -1.276   0.416  1.00  0.00           P  
HETATM   17  O   UNL     1      -0.279  -2.621   0.736  1.00  0.00           O  
HETATM   18  O   UNL     1       1.790  -1.400  -0.040  1.00  0.00           O  
HETATM   19  C   UNL     1       2.790  -2.031   0.762  1.00  0.00           C  
HETATM   20  C   UNL     1       4.136  -1.975   0.035  1.00  0.00           C  
HETATM   21  C   UNL     1       5.206  -2.760   0.825  1.00  0.00           C  
HETATM   22  O   UNL     1       5.375  -4.068   0.275  1.00  0.00           O  
HETATM   23  C   UNL     1       6.494  -1.926   0.642  1.00  0.00           C  
HETATM   24  O   UNL     1       7.497  -2.694  -0.026  1.00  0.00           O  
HETATM   25  O   UNL     1       4.629  -0.618  -0.005  1.00  0.00           O  
HETATM   26  C   UNL     1       6.049  -0.736  -0.236  1.00  0.00           C  
HETATM   27  N   UNL     1       6.737   0.489   0.179  1.00  0.00           N  
HETATM   28  C   UNL     1       7.951   0.935  -0.280  1.00  0.00           C  
HETATM   29  N   UNL     1       8.846   0.485  -1.153  1.00  0.00           N  
HETATM   30  C   UNL     1       9.952   1.160  -1.388  1.00  0.00           C  
HETATM   31  N   UNL     1      10.230   2.299  -0.780  1.00  0.00           N  
HETATM   32  C   UNL     1       6.285   1.399   1.089  1.00  0.00           C  
HETATM   33  N   UNL     1       7.148   2.365   1.217  1.00  0.00           N  
HETATM   34  C   UNL     1       8.200   2.143   0.393  1.00  0.00           C  
HETATM   35  C   UNL     1       9.395   2.826   0.109  1.00  0.00           C  
HETATM   36  N   UNL     1       9.694   4.021   0.740  1.00  0.00           N  
HETATM   37  O   UNL     1      -0.613  -0.630  -0.780  1.00  0.00           O  
HETATM   38  C   UNL     1      -1.941  -0.553  -0.599  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.436  -0.959   0.425  1.00  0.00           O  
HETATM   40  O   UNL     1      -6.746  -2.651  -0.418  1.00  0.00           O  
HETATM   41  C   UNL     1      -8.407  -0.082  -0.574  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.866   0.926   0.520  1.00  0.00           C  
HETATM   43  O   UNL     1      -8.335   2.210   0.095  1.00  0.00           O  
HETATM   44  C   UNL     1      -8.058   0.539   1.796  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.929   2.179   0.495  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.191   0.907   1.048  1.00  0.00           C  
HETATM   47  H   UNL     1      -1.559  -0.839  -3.213  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.953  -1.843  -2.747  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.194  -0.403  -3.765  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.224   1.429  -2.074  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.695   1.713  -3.021  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.288   2.316  -0.054  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.458   3.477  -1.371  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.603   3.253  -0.196  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.738   2.642  -1.863  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.840   0.200  -2.270  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.338  -2.141  -1.447  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.450  -1.524   0.208  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.566  -1.313  -1.976  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.599  -1.579   1.462  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.172  -0.597   1.894  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.549   1.372  -1.408  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.582   2.546   2.555  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.170   1.466   2.461  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.713  -0.055   1.036  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.625   1.652   1.531  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.880   1.234  -0.180  1.00  0.00           H  
HETATM   68  H   UNL     1       0.481   0.562   1.582  1.00  0.00           H  
HETATM   69  H   UNL     1       2.871  -1.513   1.717  1.00  0.00           H  
HETATM   70  H   UNL     1       2.514  -3.071   0.935  1.00  0.00           H  
HETATM   71  H   UNL     1       4.039  -2.375  -0.974  1.00  0.00           H  
HETATM   72  H   UNL     1       4.935  -2.822   1.879  1.00  0.00           H  
HETATM   73  H   UNL     1       6.036  -4.605   0.733  1.00  0.00           H  
HETATM   74  H   UNL     1       6.862  -1.576   1.607  1.00  0.00           H  
HETATM   75  H   UNL     1       7.770  -3.487   0.454  1.00  0.00           H  
HETATM   76  H   UNL     1       6.247  -0.945  -1.287  1.00  0.00           H  
HETATM   77  H   UNL     1      10.658   0.767  -2.104  1.00  0.00           H  
HETATM   78  H   UNL     1       5.350   1.328   1.624  1.00  0.00           H  
HETATM   79  H   UNL     1      10.522   4.483   0.536  1.00  0.00           H  
HETATM   80  H   UNL     1       9.077   4.395   1.388  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.402  -3.418  -0.895  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.468   0.350  -1.572  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.944  -1.025  -0.507  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.668   0.307   2.667  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.459   3.154   0.380  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.102   0.934   1.010  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.552   1.702   1.701  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.517  -0.058   1.436  1.00  0.00           H  
CONECT    1    7    2    3   38                                       
CONECT    2    1   47   48   49                                       
CONECT    3    1    4   50   51                                       
CONECT    4    5    3   52   53                                       
CONECT    5    6    4   54   55                                       
CONECT    6   12    7   46    5                                       
CONECT    7    8    6    1   56                                       
CONECT    8    9    7   57   58                                       
CONECT    9   40   10    8   59                                       
CONECT   10   41   11    9   12                                       
CONECT   11   44   10   60   61                                       
CONECT   12   10   45    6   62                                       
CONECT   13   44   45   63   64                                       
CONECT   14   42   65   66   67                                       
CONECT   15   16   68                                                 
CONECT   16   37   17   17   18                                       
CONECT   16   15                                                      
CONECT   17   16   16                                                 
CONECT   18   16   19                                                 
CONECT   19   18   20   69   70                                       
CONECT   20   25   19   21   71                                       
CONECT   21   23   20   22   72                                       
CONECT   22   21   73                                                 
CONECT   23   26   24   21   74                                       
CONECT   24   23   75                                                 
CONECT   25   26   20                                                 
CONECT   26   27   25   23   76                                       
CONECT   27   28   32   26                                            
CONECT   28   34   34   29   27                                       
CONECT   29   30   30   28                                            
CONECT   30   31   29   29   77                                       
CONECT   31   35   35   30                                            
CONECT   32   33   33   27   78                                       
CONECT   33   34   32   32                                            
CONECT   34   35   28   28   33                                       
CONECT   35   36   31   31   34                                       
CONECT   36   35   79   80                                            
CONECT   37   38   16                                                 
CONECT   38    1   39   39   37                                       
CONECT   39   38   38                                                 
CONECT   40    9   81                                                 
CONECT   41   42   10   82   83                                       
CONECT   42   14   41   44   43                                       
CONECT   43   42   45                                                 
CONECT   44   42   11   13   84                                       
CONECT   45   43   13   12   85                                       
CONECT   46    6   86   87   88                                       
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   26                                                      
CONECT   77   30                                                      
CONECT   78   32                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
CONECT   88   46                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
