COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.753  -0.619   0.770  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.260  -1.458   0.573  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.497  -1.047   0.368  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.783   0.264   0.351  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.734   1.194   0.556  1.00  0.00           C  
HETATM    6  C   UNL     1       0.573   0.694   0.771  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.327   2.089   0.127  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.284   3.002   0.331  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.007   2.568   0.542  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.085   0.732   0.136  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.589   2.545  -0.082  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.547   4.337   0.317  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.442   5.218   0.530  1.00  0.00           C  
HETATM   14  N   UNL     1       1.633   1.552   0.976  1.00  0.00           N  
HETATM   15  C   UNL     1       2.978   1.015   1.197  1.00  0.00           C  
HETATM   16  C   UNL     1       3.812   2.031   1.983  1.00  0.00           C  
HETATM   17  C   UNL     1       5.234   1.491   2.157  1.00  0.00           C  
HETATM   18  N   UNL     1       5.834   1.254   0.838  1.00  0.00           N  
HETATM   19  C   UNL     1       5.077   0.247   0.084  1.00  0.00           C  
HETATM   20  C   UNL     1       3.650   0.748  -0.153  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.007  -2.818   0.583  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.100  -3.769   0.370  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.554  -5.197   0.429  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.696  -6.190   0.206  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.171  -7.561   0.262  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.264  -8.542   0.290  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.258  -7.822  -0.858  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.609   1.564  -0.284  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.952   2.262  -0.501  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.044   1.212  -0.716  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.388   1.910  -0.933  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.479   0.860  -1.149  1.00  0.00           C  
HETATM   33  N   UNL     1     -11.770   1.531  -1.357  1.00  0.00           N  
HETATM   34  C   UNL     1       7.245   0.866   0.964  1.00  0.00           C  
HETATM   35  C   UNL     1       7.891   0.871  -0.398  1.00  0.00           C  
HETATM   36  C   UNL     1       8.489   2.022  -0.875  1.00  0.00           C  
HETATM   37  C   UNL     1       9.081   2.026  -2.125  1.00  0.00           C  
HETATM   38  C   UNL     1       9.074   0.879  -2.896  1.00  0.00           C  
HETATM   39  C   UNL     1       8.476  -0.272  -2.419  1.00  0.00           C  
HETATM   40  C   UNL     1       7.889  -0.278  -1.167  1.00  0.00           C  
HETATM   41  H   UNL     1      -0.210   3.280   0.699  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.894   0.034  -0.023  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.001   5.016   1.506  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.695   5.058  -0.247  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.789   6.250   0.495  1.00  0.00           H  
HETATM   46  H   UNL     1       1.488   2.511   0.974  1.00  0.00           H  
HETATM   47  H   UNL     1       2.911   0.085   1.761  1.00  0.00           H  
HETATM   48  H   UNL     1       3.846   2.974   1.437  1.00  0.00           H  
HETATM   49  H   UNL     1       3.361   2.192   2.962  1.00  0.00           H  
HETATM   50  H   UNL     1       5.834   2.218   2.704  1.00  0.00           H  
HETATM   51  H   UNL     1       5.200   0.554   2.714  1.00  0.00           H  
HETATM   52  H   UNL     1       5.563   0.070  -0.876  1.00  0.00           H  
HETATM   53  H   UNL     1       5.044  -0.684   0.651  1.00  0.00           H  
HETATM   54  H   UNL     1       3.084  -0.007  -0.698  1.00  0.00           H  
HETATM   55  H   UNL     1       3.681   1.670  -0.733  1.00  0.00           H  
HETATM   56  H   UNL     1       0.896  -3.142   0.732  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.854  -3.636   1.146  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.550  -3.592  -0.608  1.00  0.00           H  
HETATM   59  H   UNL     1       0.200  -5.330  -0.347  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.104  -5.374   1.406  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.450  -6.057   0.982  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.146  -6.013  -0.771  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.870  -8.437  -0.610  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.848  -9.549   0.332  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.886  -8.369   1.168  1.00  0.00           H  
HETATM   66  H   UNL     1       0.579  -7.125  -0.814  1.00  0.00           H  
HETATM   67  H   UNL     1       0.116  -8.843  -0.791  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.791  -7.690  -1.799  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.366   0.962  -1.160  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.671   0.920   0.593  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.195   2.864   0.375  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.890   2.907  -1.378  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.801   0.611  -1.592  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.107   0.568   0.161  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.630   2.512  -0.057  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.325   2.555  -1.810  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.237   0.259  -2.025  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.542   0.216  -0.272  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.508   0.858  -1.502  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.987   2.145  -0.587  1.00  0.00           H  
HETATM   81  H   UNL     1       7.760   1.575   1.613  1.00  0.00           H  
HETATM   82  H   UNL     1       7.311  -0.133   1.394  1.00  0.00           H  
HETATM   83  H   UNL     1       8.494   2.918  -0.272  1.00  0.00           H  
HETATM   84  H   UNL     1       9.548   2.925  -2.498  1.00  0.00           H  
HETATM   85  H   UNL     1       9.536   0.883  -3.872  1.00  0.00           H  
HETATM   86  H   UNL     1       8.470  -1.168  -3.022  1.00  0.00           H  
HETATM   87  H   UNL     1       7.422  -1.177  -0.794  1.00  0.00           H  
CONECT    1    6    6    2                                            
CONECT    2    1    3    3   21                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5   10   10                                       
CONECT    5    4    9    9    6                                       
CONECT    6    1    1    5   14                                       
CONECT    7    8    8   11   10                                       
CONECT    8    7    7   12    9                                       
CONECT    9    5    5    8   41                                       
CONECT   10    4    4    7   42                                       
CONECT   11    7   28                                                 
CONECT   12    8   13                                                 
CONECT   13   12   43   44   45                                       
CONECT   14    6   15   46                                            
CONECT   15   14   20   16   47                                       
CONECT   16   15   17   48   49                                       
CONECT   17   16   18   50   51                                       
CONECT   18   17   34   19                                            
CONECT   19   18   20   52   53                                       
CONECT   20   15   19   54   55                                       
CONECT   21    2   22   56                                            
CONECT   22   21   23   57   58                                       
CONECT   23   22   24   59   60                                       
CONECT   24   23   25   61   62                                       
CONECT   25   24   27   26                                            
CONECT   26   25   63   64   65                                       
CONECT   27   25   66   67   68                                       
CONECT   28   11   29   69   70                                       
CONECT   29   28   30   71   72                                       
CONECT   30   29   31   73   74                                       
CONECT   31   30   32   75   76                                       
CONECT   32   31   33   77   78                                       
CONECT   33   32   79   80                                            
CONECT   34   18   35   81   82                                       
CONECT   35   34   40   40   36                                       
CONECT   36   35   37   37   83                                       
CONECT   37   36   36   38   84                                       
CONECT   38   37   39   39   85                                       
CONECT   39   38   38   40   86                                       
CONECT   40   35   35   39   87                                       
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
