COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   1      14.612  -2.588   1.980  1.00  0.00           O  
HETATM    2  C   UNK A   1      13.431  -3.184   1.750  1.00  0.00           C  
HETATM    3  O   UNK A   1      13.110  -4.156   2.391  1.00  0.00           O  
HETATM    4  C   UNK A   1      12.506  -2.639   0.692  1.00  0.00           C  
HETATM    5  C   UNK A   1      11.239  -3.495   0.634  1.00  0.00           C  
HETATM    6  C   UNK A   1      10.300  -2.942  -0.440  1.00  0.00           C  
HETATM    7  C   UNK A   1       9.109  -3.854  -0.584  1.00  0.00           C  
HETATM    8  O   UNK A   1       9.285  -5.137  -0.936  1.00  0.00           O  
HETATM    9  O   UNK A   1       7.995  -3.431  -0.381  1.00  0.00           O  
HETATM   10  N   UNK A   1       9.846  -1.605  -0.051  1.00  0.00           N  
HETATM   11  C   UNK A   0       9.450  -0.726  -0.993  1.00  0.00           C  
HETATM   12  O   UNK A   0       9.469  -1.044  -2.166  1.00  0.00           O  
HETATM   13  N   UNK A   1       9.032   0.504  -0.635  1.00  0.00           N  
HETATM   14  C   UNK A   1       8.602   1.459  -1.659  1.00  0.00           C  
HETATM   15  C   UNK A   1       9.804   2.184  -2.207  1.00  0.00           C  
HETATM   16  O   UNK A   1      10.907   1.929  -1.786  1.00  0.00           O  
HETATM   17  O   UNK A   1       9.649   3.112  -3.164  1.00  0.00           O  
HETATM   18  C   UNK A   1       7.635   2.470  -1.039  1.00  0.00           C  
HETATM   19  C   UNK A   1       6.360   1.750  -0.595  1.00  0.00           C  
HETATM   20  C   UNK A   1       5.393   2.761   0.025  1.00  0.00           C  
HETATM   21  C   UNK A   1       4.118   2.042   0.469  1.00  0.00           C  
HETATM   22  N   UNK A   1       3.193   3.010   1.062  1.00  0.00           N  
HETATM   23  C   UNK A   1       1.912   3.220   0.679  1.00  0.00           C  
HETATM   24  N   UNK A   1       3.456   3.803   2.041  1.00  0.00           N  
HETATM   25  N   UNK A   1       2.427   4.524   2.318  1.00  0.00           N  
HETATM   26  C   UNK A   1       1.431   4.193   1.488  1.00  0.00           C  
HETATM   27  C   UNK A   1       0.045   4.785   1.461  1.00  0.00           C  
HETATM   28  O   UNK A   1      -0.720   4.159   0.430  1.00  0.00           O  
HETATM   29  C   UNK A   1      -2.057   4.650   0.319  1.00  0.00           C  
HETATM   30  C   UNK A   1      -2.780   3.912  -0.810  1.00  0.00           C  
HETATM   31  O   UNK A   1      -2.912   2.531  -0.469  1.00  0.00           O  
HETATM   32  C   UNK A   1      -3.577   1.748  -1.462  1.00  0.00           C  
HETATM   33  C   UNK A   1      -3.661   0.294  -0.993  1.00  0.00           C  
HETATM   34  O   UNK A   1      -4.490   0.215   0.168  1.00  0.00           O  
HETATM   35  C   UNK A   1      -4.636  -1.107   0.689  1.00  0.00           C  
HETATM   36  C   UNK A   1      -5.539  -1.071   1.924  1.00  0.00           C  
HETATM   37  O   UNK A   1      -6.856  -0.669   1.540  1.00  0.00           O  
HETATM   38  C   UNK A   1      -7.783  -0.604   2.625  1.00  0.00           C  
HETATM   39  C   UNK A   1      -9.152  -0.165   2.100  1.00  0.00           C  
HETATM   40  N   UNK A   1      -9.681  -1.192   1.199  1.00  0.00           N  
HETATM   41  C   UNK A   1     -10.933  -1.014   0.590  1.00  0.00           C  
HETATM   42  C   UNK A   1     -11.668   0.134   0.840  1.00  0.00           C  
HETATM   43  C   UNK A   1     -12.902   0.311   0.240  1.00  0.00           C  
HETATM   44  C   UNK A   1     -13.407  -0.661  -0.614  1.00  0.00           C  
HETATM   45  N   UNK A   1     -14.656  -0.479  -1.219  1.00  0.00           N  
HETATM   46  O   UNK A   1     -15.403   0.696  -0.961  1.00  0.00           O  
HETATM   47  O   UNK A   1     -15.171  -1.469  -2.090  1.00  0.00           O  
HETATM   48  C   UNK A   1     -12.674  -1.812  -0.868  1.00  0.00           C  
HETATM   49  C   UNK A   1     -11.434  -1.988  -0.272  1.00  0.00           C  
HETATM   50  N   UNK A   1     -10.691  -3.146  -0.530  1.00  0.00           N  
HETATM   51  O   UNK A   1     -11.015  -4.202   0.428  1.00  0.00           O  
HETATM   52  O   UNK A   1     -10.895  -3.605  -1.905  1.00  0.00           O  
HETATM   53  H   UNK A   1      15.171  -2.973   2.668  1.00  0.00           H  
HETATM   54  H   UNK A   1      12.239  -1.611   0.938  1.00  0.00           H  
HETATM   55  H   UNK A   1      13.006  -2.663  -0.275  1.00  0.00           H  
HETATM   56  H   UNK A   1      11.506  -4.523   0.389  1.00  0.00           H  
HETATM   57  H   UNK A   1      10.739  -3.470   1.602  1.00  0.00           H  
HETATM   58  H   UNK A   1      10.829  -2.884  -1.391  1.00  0.00           H  
HETATM   59  H   UNK A   1       9.831  -1.351   0.886  1.00  0.00           H  
HETATM   60  H   UNK A   1       8.491  -5.684  -1.016  1.00  0.00           H  
HETATM   61  H   UNK A   1       9.017   0.757   0.302  1.00  0.00           H  
HETATM   62  H   UNK A   1       8.100   0.924  -2.466  1.00  0.00           H  
HETATM   63  H   UNK A   1       8.106   2.941  -0.177  1.00  0.00           H  
HETATM   64  H   UNK A   1       7.384   3.232  -1.777  1.00  0.00           H  
HETATM   65  H   UNK A   1      10.449   3.550  -3.484  1.00  0.00           H  
HETATM   66  H   UNK A   1       5.889   1.279  -1.458  1.00  0.00           H  
HETATM   67  H   UNK A   1       6.611   0.988   0.143  1.00  0.00           H  
HETATM   68  H   UNK A   1       5.864   3.233   0.887  1.00  0.00           H  
HETATM   69  H   UNK A   1       5.142   3.523  -0.713  1.00  0.00           H  
HETATM   70  H   UNK A   1       3.647   1.571  -0.394  1.00  0.00           H  
HETATM   71  H   UNK A   1       4.369   1.280   1.207  1.00  0.00           H  
HETATM   72  H   UNK A   1       1.380   2.714  -0.113  1.00  0.00           H  
HETATM   73  H   UNK A   1      -0.439   4.621   2.424  1.00  0.00           H  
HETATM   74  H   UNK A   1       0.111   5.855   1.266  1.00  0.00           H  
HETATM   75  H   UNK A   1      -2.585   4.483   1.258  1.00  0.00           H  
HETATM   76  H   UNK A   1      -2.035   5.718   0.100  1.00  0.00           H  
HETATM   77  H   UNK A   1      -3.769   4.347  -0.954  1.00  0.00           H  
HETATM   78  H   UNK A   1      -2.205   4.006  -1.731  1.00  0.00           H  
HETATM   79  H   UNK A   1      -4.582   2.138  -1.619  1.00  0.00           H  
HETATM   80  H   UNK A   1      -3.018   1.796  -2.397  1.00  0.00           H  
HETATM   81  H   UNK A   1      -4.087  -0.319  -1.787  1.00  0.00           H  
HETATM   82  H   UNK A   1      -2.662  -0.068  -0.751  1.00  0.00           H  
HETATM   83  H   UNK A   1      -5.083  -1.750  -0.069  1.00  0.00           H  
HETATM   84  H   UNK A   1      -3.657  -1.498   0.966  1.00  0.00           H  
HETATM   85  H   UNK A   1      -5.579  -2.063   2.374  1.00  0.00           H  
HETATM   86  H   UNK A   1      -5.139  -0.361   2.647  1.00  0.00           H  
HETATM   87  H   UNK A   1      -7.870  -1.586   3.089  1.00  0.00           H  
HETATM   88  H   UNK A   1      -7.429   0.117   3.362  1.00  0.00           H  
HETATM   89  H   UNK A   1      -9.836  -0.029   2.938  1.00  0.00           H  
HETATM   90  H   UNK A   1      -9.049   0.775   1.558  1.00  0.00           H  
HETATM   91  H   UNK A   1      -9.167  -1.996   1.024  1.00  0.00           H  
HETATM   92  H   UNK A   1     -11.278   0.891   1.503  1.00  0.00           H  
HETATM   93  H   UNK A   1     -13.473   1.206   0.436  1.00  0.00           H  
HETATM   94  H   UNK A   1     -13.067  -2.568  -1.532  1.00  0.00           H  
HETATM   95  H   UNK A   1     -16.039  -1.255  -2.460  1.00  0.00           H  
HETATM   96  H   UNK A   1     -16.252   0.731  -1.423  1.00  0.00           H  
HETATM   97  H   UNK A   1     -10.524  -5.024   0.289  1.00  0.00           H  
HETATM   98  H   UNK A   1     -10.400  -4.404  -2.130  1.00  0.00           H  
CONECT    1    2   53                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   54   55                                       
CONECT    5    4    6   56   57                                       
CONECT    6    5    7   10   58                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   60                                                 
CONECT    9    7    7                                                 
CONECT   10    6   11   59                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   61                                            
CONECT   14   13   15   18   62                                       
CONECT   15   14   17   17   16                                       
CONECT   16   15   65                                                 
CONECT   17   15   15                                                 
CONECT   18   14   19   63   64                                       
CONECT   19   18   20   66   67                                       
CONECT   20   19   21   68   69                                       
CONECT   21   20   22   70   71                                       
CONECT   22   21   23   24                                            
CONECT   23   22   26   26   72                                       
CONECT   24   22   25   25                                            
CONECT   25   24   24   26                                            
CONECT   26   23   23   25   27                                       
CONECT   27   26   28   73   74                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   75   76                                       
CONECT   30   29   31   77   78                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   79   80                                       
CONECT   33   32   34   81   82                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   83   84                                       
CONECT   36   35   37   85   86                                       
CONECT   37   36   38                                                 
CONECT   38   37   39   87   88                                       
CONECT   39   38   40   89   90                                       
CONECT   40   39   41   91                                            
CONECT   41   40   42   49   49                                       
CONECT   42   41   43   43   92                                       
CONECT   43   42   42   44   93                                       
CONECT   44   43   45   48   48                                       
CONECT   45   44   46   47                                            
CONECT   46   45   96                                                 
CONECT   47   45   95                                                 
CONECT   48   44   44   49   94                                       
CONECT   49   41   41   48   50                                       
CONECT   50   49   51   52                                            
CONECT   51   50   97                                                 
CONECT   52   50   98                                                 
CONECT   53    1                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59   10                                                      
CONECT   60    8                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   16                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   23                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   48                                                      
CONECT   95   47                                                      
CONECT   96   46                                                      
CONECT   97   51                                                      
CONECT   98   52                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
