COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.994  -1.040  -1.045  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.315  -1.472  -1.162  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.564  -2.756  -1.601  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.309  -3.200  -1.810  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.976  -1.930  -1.385  1.00  0.00           C  
HETATM    6  N   UNL     1      -6.572  -3.571  -1.907  1.00  0.00           N  
HETATM    7  N   UNL     1      -5.700   0.250  -0.606  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.578   0.480   0.106  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.203   1.863   0.467  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.875  -0.450   0.450  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.047   2.103   1.213  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.695   3.394   1.551  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.486   4.457   1.158  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.647   4.230   0.417  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.008   2.931   0.073  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.494   5.371  -0.001  1.00  0.00           C  
HETATM   17  N   UNL     1      -5.135   6.657   0.340  1.00  0.00           N  
HETATM   18  N   UNL     1      -6.577   5.159  -0.693  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.178   0.949   1.645  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.332   0.529   0.525  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.468  -0.493   0.680  1.00  0.00           C  
HETATM   22  C   UNL     1       0.403  -0.925  -0.472  1.00  0.00           C  
HETATM   23  N   UNL     1       1.247  -2.046  -0.052  1.00  0.00           N  
HETATM   24  O   UNL     1      -0.390  -1.065   1.747  1.00  0.00           O  
HETATM   25  C   UNL     1       0.789  -3.316  -0.127  1.00  0.00           C  
HETATM   26  C   UNL     1       1.668  -4.407   0.303  1.00  0.00           C  
HETATM   27  N   UNL     1       2.877  -4.130   0.746  1.00  0.00           N  
HETATM   28  C   UNL     1       3.310  -2.875   0.808  1.00  0.00           C  
HETATM   29  C   UNL     1       2.519  -1.824   0.414  1.00  0.00           C  
HETATM   30  C   UNL     1       3.038  -0.443   0.499  1.00  0.00           C  
HETATM   31  N   UNL     1       1.229  -5.723   0.245  1.00  0.00           N  
HETATM   32  C   UNL     1       2.111  -6.810   0.678  1.00  0.00           C  
HETATM   33  C   UNL     1       1.267  -8.011   1.109  1.00  0.00           C  
HETATM   34  C   UNL     1       3.024  -7.217  -0.481  1.00  0.00           C  
HETATM   35  C   UNL     1       2.309   0.537   1.175  1.00  0.00           C  
HETATM   36  C   UNL     1       2.797   1.833   1.256  1.00  0.00           C  
HETATM   37  C   UNL     1       4.009   2.160   0.664  1.00  0.00           C  
HETATM   38  C   UNL     1       4.742   1.185  -0.014  1.00  0.00           C  
HETATM   39  C   UNL     1       4.253  -0.116  -0.101  1.00  0.00           C  
HETATM   40  N   UNL     1       2.065   2.812   1.934  1.00  0.00           N  
HETATM   41  C   UNL     1       6.033   1.535  -0.644  1.00  0.00           C  
HETATM   42  N   UNL     1       6.503   2.796  -0.564  1.00  0.00           N  
HETATM   43  C   UNL     1       7.782   3.142  -1.188  1.00  0.00           C  
HETATM   44  C   UNL     1       7.803   4.638  -1.511  1.00  0.00           C  
HETATM   45  C   UNL     1       6.741   4.947  -2.567  1.00  0.00           C  
HETATM   46  O   UNL     1       6.671   0.685  -1.235  1.00  0.00           O  
HETATM   47  C   UNL     1       8.925   2.811  -0.227  1.00  0.00           C  
HETATM   48  O   UNL     1      -0.334  -3.548  -0.541  1.00  0.00           O  
HETATM   49  H   UNL     1      -8.131  -0.811  -0.912  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.584  -3.099  -1.694  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.527  -3.897  -2.070  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.941  -1.633  -1.308  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.302   0.982  -0.812  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.798   3.575   2.125  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.205   5.465   1.426  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.905   2.751  -0.500  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.329   6.815   0.855  1.00  0.00           H  
HETATM   58  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.131   5.906  -0.967  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.808   0.117   1.957  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.549   1.261   2.479  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.394   0.987  -0.328  1.00  0.00           H  
HETATM   63  H   UNL     1       1.033  -0.093  -0.783  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.227  -1.237  -1.305  1.00  0.00           H  
HETATM   65  H   UNL     1       4.307  -2.678   1.175  1.00  0.00           H  
HETATM   66  H   UNL     1       0.337  -5.923  -0.082  1.00  0.00           H  
HETATM   67  H   UNL     1       2.719  -6.472   1.517  1.00  0.00           H  
HETATM   68  H   UNL     1       0.660  -8.349   0.270  1.00  0.00           H  
HETATM   69  H   UNL     1       1.924  -8.819   1.431  1.00  0.00           H  
HETATM   70  H   UNL     1       0.617  -7.721   1.935  1.00  0.00           H  
HETATM   71  H   UNL     1       2.416  -7.555  -1.320  1.00  0.00           H  
HETATM   72  H   UNL     1       3.625  -6.361  -0.788  1.00  0.00           H  
HETATM   73  H   UNL     1       3.680  -8.026  -0.159  1.00  0.00           H  
HETATM   74  H   UNL     1       1.366   0.286   1.637  1.00  0.00           H  
HETATM   75  H   UNL     1       4.385   3.170   0.729  1.00  0.00           H  
HETATM   76  H   UNL     1       4.819  -0.873  -0.626  1.00  0.00           H  
HETATM   77  H   UNL     1       2.405   3.719   1.990  1.00  0.00           H  
HETATM   78  H   UNL     1       1.218   2.585   2.347  1.00  0.00           H  
HETATM   79  H   UNL     1       5.994   3.474  -0.093  1.00  0.00           H  
HETATM   80  H   UNL     1       7.904   2.570  -2.108  1.00  0.00           H  
HETATM   81  H   UNL     1       8.786   4.913  -1.893  1.00  0.00           H  
HETATM   82  H   UNL     1       7.593   5.208  -0.606  1.00  0.00           H  
HETATM   83  H   UNL     1       6.756   6.012  -2.797  1.00  0.00           H  
HETATM   84  H   UNL     1       6.951   4.377  -3.472  1.00  0.00           H  
HETATM   85  H   UNL     1       5.758   4.672  -2.185  1.00  0.00           H  
HETATM   86  H   UNL     1       8.803   3.383   0.693  1.00  0.00           H  
HETATM   87  H   UNL     1       8.910   1.746   0.003  1.00  0.00           H  
HETATM   88  H   UNL     1       9.877   3.069  -0.691  1.00  0.00           H  
CONECT    1    2    2    5    7                                       
CONECT    2    1    1    3   49                                       
CONECT    3    2    6    6   50                                       
CONECT    4    5    5    6   51                                       
CONECT    5    1    4    4   52                                       
CONECT    6    3    3    4                                            
CONECT    7    1    8   53                                            
CONECT    8    7    9   10   10                                       
CONECT    9    8   11   11   15                                       
CONECT   10    8    8                                                 
CONECT   11    9    9   12   19                                       
CONECT   12   11   13   13   54                                       
CONECT   13   12   12   14   55                                       
CONECT   14   13   15   15   16                                       
CONECT   15    9   14   14   56                                       
CONECT   16   14   17   17   18                                       
CONECT   17   16   16   57                                            
CONECT   18   16   58   59                                            
CONECT   19   11   20   60   61                                       
CONECT   20   19   21   62                                            
CONECT   21   20   22   24   24                                       
CONECT   22   21   23   63   64                                       
CONECT   23   22   25   29                                            
CONECT   24   21   21                                                 
CONECT   25   23   26   48   48                                       
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28                                            
CONECT   28   27   29   29   65                                       
CONECT   29   23   28   28   30                                       
CONECT   30   29   35   35   39                                       
CONECT   31   26   32   66                                            
CONECT   32   31   33   34   67                                       
CONECT   33   32   68   69   70                                       
CONECT   34   32   71   72   73                                       
CONECT   35   30   30   36   74                                       
CONECT   36   35   37   37   40                                       
CONECT   37   36   36   38   75                                       
CONECT   38   37   39   39   41                                       
CONECT   39   30   38   38   76                                       
CONECT   40   36   77   78                                            
CONECT   41   38   42   46   46                                       
CONECT   42   41   43   79                                            
CONECT   43   42   44   47   80                                       
CONECT   44   43   45   81   82                                       
CONECT   45   44   83   84   85                                       
CONECT   46   41   41                                                 
CONECT   47   43   86   87   88                                       
CONECT   48   25   25                                                 
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   28                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   37                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   45                                                      
CONECT   84   45                                                      
CONECT   85   45                                                      
CONECT   86   47                                                      
CONECT   87   47                                                      
CONECT   88   47                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
