COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.155   0.511  -0.594  1.00  0.00           N  
HETATM    2  C   UNL     1       0.997  -0.581  -0.398  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.971  -2.631   0.324  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.076  -0.154   0.245  1.00  0.00           C  
HETATM    5  C   UNL     1       7.143   1.473   0.196  1.00  0.00           C  
HETATM    6  C   UNL     1       8.295   1.895   1.111  1.00  0.00           C  
HETATM    7  O   UNL     1       8.851   3.124   0.634  1.00  0.00           O  
HETATM    8  C   UNL     1       7.907   4.196   0.570  1.00  0.00           C  
HETATM    9  C   UNL     1       6.751   3.797  -0.351  1.00  0.00           C  
HETATM   10  N   UNL     1       6.145   2.551   0.142  1.00  0.00           N  
HETATM   11  C   UNL     1       4.993   2.163  -0.683  1.00  0.00           C  
HETATM   12  C   UNL     1       4.254   1.033  -0.014  1.00  0.00           C  
HETATM   13  O   UNL     1       4.647   0.594   1.046  1.00  0.00           O  
HETATM   14  C   UNL     1       2.432  -0.584   0.060  1.00  0.00           C  
HETATM   15  C   UNL     1       3.083  -1.918  -0.311  1.00  0.00           C  
HETATM   16  O   UNL     1       0.674   0.054  -1.380  1.00  0.00           O  
HETATM   17  N   UNL     1       0.071  -1.285   0.284  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.304  -1.363  -0.216  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.252  -3.843  -0.210  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.060  -4.471   0.363  1.00  0.00           C  
HETATM   21  C   UNL     1       0.739  -4.202   1.476  1.00  0.00           C  
HETATM   22  C   UNL     1       1.814  -5.000   1.749  1.00  0.00           C  
HETATM   23  C   UNL     1       2.118  -6.078   0.928  1.00  0.00           C  
HETATM   24  C   UNL     1       1.344  -6.361  -0.175  1.00  0.00           C  
HETATM   25  C   UNL     1       0.244  -5.562  -0.471  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.700  -5.583  -1.473  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.586  -4.555  -1.298  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.532   0.690   0.924  1.00  0.00           O  
HETATM   29  N   UNL     1      -3.372  -0.011  -0.098  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.093   1.214   0.257  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.095   1.554  -0.847  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.353   1.882  -2.117  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.050   0.879  -3.019  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.369   1.180  -4.184  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.990   2.483  -4.446  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.292   3.486  -3.543  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.979   3.186  -2.382  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.838   1.003   1.576  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.914   0.591   2.586  1.00  0.00           O  
HETATM   40  C   UNL     1      -5.506   2.313   2.000  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.434   3.375   2.248  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.306   2.085   3.284  1.00  0.00           C  
HETATM   43  O   UNL     1      -7.023   3.276   3.616  1.00  0.00           O  
HETATM   44  H   UNL     1       2.840   0.862  -1.442  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.924  -2.630   1.413  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.013  -2.656   0.005  1.00  0.00           H  
HETATM   47  H   UNL     1       7.526   1.282  -0.807  1.00  0.00           H  
HETATM   48  H   UNL     1       6.680   0.567   0.587  1.00  0.00           H  
HETATM   49  H   UNL     1       7.922   2.035   2.126  1.00  0.00           H  
HETATM   50  H   UNL     1       9.064   1.123   1.109  1.00  0.00           H  
HETATM   51  H   UNL     1       7.522   4.403   1.569  1.00  0.00           H  
HETATM   52  H   UNL     1       8.396   5.088   0.176  1.00  0.00           H  
HETATM   53  H   UNL     1       6.002   4.588  -0.358  1.00  0.00           H  
HETATM   54  H   UNL     1       7.128   3.644  -1.362  1.00  0.00           H  
HETATM   55  H   UNL     1       4.325   3.017  -0.799  1.00  0.00           H  
HETATM   56  H   UNL     1       5.342   1.839  -1.664  1.00  0.00           H  
HETATM   57  H   UNL     1       2.470  -0.449   1.140  1.00  0.00           H  
HETATM   58  H   UNL     1       3.115  -2.017  -1.396  1.00  0.00           H  
HETATM   59  H   UNL     1       4.098  -1.950   0.086  1.00  0.00           H  
HETATM   60  H   UNL     1       2.501  -2.736   0.112  1.00  0.00           H  
HETATM   61  H   UNL     1       0.315  -1.739   1.106  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.293  -1.394  -1.306  1.00  0.00           H  
HETATM   63  H   UNL     1       0.509  -3.365   2.119  1.00  0.00           H  
HETATM   64  H   UNL     1       2.432  -4.791   2.609  1.00  0.00           H  
HETATM   65  H   UNL     1       2.971  -6.699   1.156  1.00  0.00           H  
HETATM   66  H   UNL     1       1.589  -7.201  -0.808  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.734  -6.231  -2.193  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.428  -4.345  -1.941  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.827  -0.720  -0.579  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.383   2.034   0.368  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.750   0.699  -1.020  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.693   2.413  -0.544  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.346  -0.139  -2.814  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.132   0.397  -4.889  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.457   2.718  -5.356  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.996   4.504  -3.748  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.219   3.970  -1.679  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.599   0.233   1.444  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.208   1.230   2.756  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.177   2.651   1.209  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.715   3.002   2.977  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.920   3.598   1.313  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.902   4.282   2.631  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.010   1.267   3.134  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.624   1.833   4.096  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.553   3.204   4.421  1.00  0.00           H  
CONECT    1   14   12   44                                            
CONECT    2   17   16   16   14                                       
CONECT    3   18   19   45   46                                       
CONECT    4   29   28   28   18                                       
CONECT    5   10    6   47   48                                       
CONECT    6    5    7   49   50                                       
CONECT    7    8    6                                                 
CONECT    8    9    7   51   52                                       
CONECT    9   10    8   53   54                                       
CONECT   10   11    9    5                                            
CONECT   11   10   12   55   56                                       
CONECT   12    1   13   13   11                                       
CONECT   13   12   12                                                 
CONECT   14    2    1   15   57                                       
CONECT   15   14   58   59   60                                       
CONECT   16    2    2                                                 
CONECT   17   18    2   61                                            
CONECT   18    4    3   17   62                                       
CONECT   19    3   20   27   27                                       
CONECT   20   21   19   25   25                                       
CONECT   21   22   22   20   63                                       
CONECT   22   21   21   23   64                                       
CONECT   23   22   24   24   65                                       
CONECT   24   23   23   25   66                                       
CONECT   25   20   20   24   26                                       
CONECT   26   27   25   67                                            
CONECT   27   19   19   26   68                                       
CONECT   28    4    4                                                 
CONECT   29   30    4   69                                            
CONECT   30   38   31   29   70                                       
CONECT   31   30   32   71   72                                       
CONECT   32   31   37   37   33                                       
CONECT   33   32   34   34   73                                       
CONECT   34   33   33   35   74                                       
CONECT   35   36   36   34   75                                       
CONECT   36   37   35   35   76                                       
CONECT   37   32   32   36   77                                       
CONECT   38   40   39   30   78                                       
CONECT   39   38   79                                                 
CONECT   40   38   41   42   80                                       
CONECT   41   40   81   82   83                                       
CONECT   42   40   43   84   85                                       
CONECT   43   42   86                                                 
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
