COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -13.898  -1.009   0.642  1.00  0.00           N  
HETATM    2  C   UNL     1     -13.121  -0.498   1.579  1.00  0.00           C  
HETATM    3  N   UNL     1     -11.837  -0.278   1.390  1.00  0.00           N  
HETATM    4  C   UNL     1     -11.264  -0.568   0.227  1.00  0.00           C  
HETATM    5  C   UNL     1     -12.048  -1.114  -0.803  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.413  -1.334  -0.552  1.00  0.00           C  
HETATM    7  N   UNL     1     -14.235  -1.869  -1.529  1.00  0.00           N  
HETATM    8  N   UNL     1     -11.231  -1.313  -1.865  1.00  0.00           N  
HETATM    9  C   UNL     1     -10.024  -0.933  -1.559  1.00  0.00           C  
HETATM   10  N   UNL     1      -9.993  -0.466  -0.279  1.00  0.00           N  
HETATM   11  O   UNL     1      -5.615   0.474  -1.940  1.00  0.00           O  
HETATM   12  O   UNL     1      -6.022  -0.534   2.340  1.00  0.00           O  
HETATM   13  O   UNL     1      -8.501  -1.063   2.579  1.00  0.00           O  
HETATM   14  O   UNL     1      -7.830   0.519  -0.517  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.417   0.504  -0.744  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.611  -0.763   1.059  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.115  -1.084   1.204  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.583   0.528   0.211  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.818   0.051   0.427  1.00  0.00           C  
HETATM   20  C   UNL     1       3.250   0.501  -0.774  1.00  0.00           C  
HETATM   21  O   UNL     1       3.225   0.532   0.438  1.00  0.00           O  
HETATM   22  C   UNL     1       1.961   0.482  -1.554  1.00  0.00           C  
HETATM   23  C   UNL     1       0.778   0.507  -0.584  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.531   0.487  -1.376  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.714   0.512  -0.406  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.023   0.492  -1.198  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.156   0.516  -0.269  1.00  0.00           N  
HETATM   28  N   UNL     1       4.431   0.484  -1.424  1.00  0.00           N  
HETATM   29  C   UNL     1       5.685   0.503  -0.666  1.00  0.00           C  
HETATM   30  C   UNL     1       6.056   1.949  -0.331  1.00  0.00           C  
HETATM   31  C   UNL     1       5.005   2.541   0.610  1.00  0.00           C  
HETATM   32  C   UNL     1       5.377   3.987   0.945  1.00  0.00           C  
HETATM   33  N   UNL     1       4.370   4.554   1.847  1.00  0.00           N  
HETATM   34  C   UNL     1       4.494   5.850   2.287  1.00  0.00           C  
HETATM   35  N   UNL     1       3.549   6.382   3.133  1.00  0.00           N  
HETATM   36  N   UNL     1       5.506   6.575   1.903  1.00  0.00           N  
HETATM   37  C   UNL     1       6.781  -0.119  -1.492  1.00  0.00           C  
HETATM   38  O   UNL     1       6.539  -0.536  -2.604  1.00  0.00           O  
HETATM   39  N   UNL     1       8.030  -0.210  -0.994  1.00  0.00           N  
HETATM   40  C   UNL     1       9.096  -0.815  -1.798  1.00  0.00           C  
HETATM   41  C   UNL     1      10.183  -1.363  -0.872  1.00  0.00           C  
HETATM   42  C   UNL     1       9.610  -2.507  -0.033  1.00  0.00           C  
HETATM   43  C   UNL     1      10.698  -3.056   0.892  1.00  0.00           C  
HETATM   44  N   UNL     1      10.149  -4.151   1.696  1.00  0.00           N  
HETATM   45  C   UNL     1      10.947  -4.803   2.606  1.00  0.00           C  
HETATM   46  N   UNL     1      10.432  -5.831   3.359  1.00  0.00           N  
HETATM   47  N   UNL     1      12.192  -4.447   2.754  1.00  0.00           N  
HETATM   48  C   UNL     1       9.690   0.228  -2.709  1.00  0.00           C  
HETATM   49  O   UNL     1       9.266   1.363  -2.690  1.00  0.00           O  
HETATM   50  N   UNL     1      10.694  -0.103  -3.546  1.00  0.00           N  
HETATM   51  H   UNL     1     -13.556  -0.251   2.537  1.00  0.00           H  
HETATM   52  H   UNL     1     -15.177  -2.011  -1.345  1.00  0.00           H  
HETATM   53  H   UNL     1     -13.870  -2.102  -2.396  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.173  -0.981  -2.222  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.092  -0.269   2.304  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.089  -1.756   3.114  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.096  -1.572   0.540  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.346  -2.052   0.758  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.525   1.405   0.857  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.105   0.854   1.106  1.00  0.00           H  
HETATM   61  H   UNL     1       1.916   1.355  -2.204  1.00  0.00           H  
HETATM   62  H   UNL     1       1.916  -0.424  -2.159  1.00  0.00           H  
HETATM   63  H   UNL     1       0.822  -0.367   0.066  1.00  0.00           H  
HETATM   64  H   UNL     1       0.823   1.412   0.021  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.576   1.361  -2.026  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.576  -0.419  -1.981  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.670  -0.362   0.244  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.669   1.417   0.199  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.068   1.366  -1.848  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.068  -0.414  -1.803  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.998   0.540   0.688  1.00  0.00           H  
HETATM   72  H   UNL     1       4.451   0.460  -2.393  1.00  0.00           H  
HETATM   73  H   UNL     1       5.560  -0.063   0.257  1.00  0.00           H  
HETATM   74  H   UNL     1       7.032   1.970   0.155  1.00  0.00           H  
HETATM   75  H   UNL     1       6.094   2.537  -1.248  1.00  0.00           H  
HETATM   76  H   UNL     1       4.029   2.520   0.125  1.00  0.00           H  
HETATM   77  H   UNL     1       4.967   1.954   1.528  1.00  0.00           H  
HETATM   78  H   UNL     1       6.352   4.008   1.431  1.00  0.00           H  
HETATM   79  H   UNL     1       5.415   4.574   0.028  1.00  0.00           H  
HETATM   80  H   UNL     1       3.616   4.014   2.132  1.00  0.00           H  
HETATM   81  H   UNL     1       2.795   5.842   3.418  1.00  0.00           H  
HETATM   82  H   UNL     1       3.636   7.297   3.443  1.00  0.00           H  
HETATM   83  H   UNL     1       5.594   7.490   2.214  1.00  0.00           H  
HETATM   84  H   UNL     1       8.224   0.124  -0.105  1.00  0.00           H  
HETATM   85  H   UNL     1       8.683  -1.628  -2.395  1.00  0.00           H  
HETATM   86  H   UNL     1      11.017  -1.733  -1.469  1.00  0.00           H  
HETATM   87  H   UNL     1      10.533  -0.569  -0.212  1.00  0.00           H  
HETATM   88  H   UNL     1       8.777  -2.138   0.564  1.00  0.00           H  
HETATM   89  H   UNL     1       9.260  -3.301  -0.693  1.00  0.00           H  
HETATM   90  H   UNL     1      11.531  -3.425   0.295  1.00  0.00           H  
HETATM   91  H   UNL     1      11.048  -2.262   1.552  1.00  0.00           H  
HETATM   92  H   UNL     1       9.222  -4.417   1.585  1.00  0.00           H  
HETATM   93  H   UNL     1       9.505  -6.096   3.249  1.00  0.00           H  
HETATM   94  H   UNL     1      10.995  -6.291   4.001  1.00  0.00           H  
HETATM   95  H   UNL     1      12.755  -4.907   3.396  1.00  0.00           H  
HETATM   96  H   UNL     1      11.077   0.568  -4.133  1.00  0.00           H  
HETATM   97  H   UNL     1      11.034  -1.011  -3.562  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    3    1    1   51                                       
CONECT    3    4    4    2                                            
CONECT    4    5   10    3    3                                       
CONECT    5    6    6    4    8                                       
CONECT    6    5    5    1    7                                       
CONECT    7    6   52   53                                            
CONECT    8    5    9    9                                            
CONECT    9   10    8    8   54                                       
CONECT   10   19    4    9                                            
CONECT   11   15   15                                                 
CONECT   12   16   55                                                 
CONECT   13   17   56                                                 
CONECT   14   18   19                                                 
CONECT   15   27   11   11   18                                       
CONECT   16   18   17   12   57                                       
CONECT   17   19   13   16   58                                       
CONECT   18   15   14   16   59                                       
CONECT   19   14   10   17   60                                       
CONECT   20   28   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   61   62                                       
CONECT   23   22   24   63   64                                       
CONECT   24   23   25   65   66                                       
CONECT   25   24   26   67   68                                       
CONECT   26   25   27   69   70                                       
CONECT   27   26   15   71                                            
CONECT   28   29   20   72                                            
CONECT   29   37   28   30   73                                       
CONECT   30   29   31   74   75                                       
CONECT   31   30   32   76   77                                       
CONECT   32   31   33   78   79                                       
CONECT   33   32   34   80                                            
CONECT   34   33   36   36   35                                       
CONECT   35   34   81   82                                            
CONECT   36   34   34   83                                            
CONECT   37   39   29   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   40   37   84                                            
CONECT   40   48   39   41   85                                       
CONECT   41   40   42   86   87                                       
CONECT   42   41   43   88   89                                       
CONECT   43   42   44   90   91                                       
CONECT   44   43   45   92                                            
CONECT   45   44   47   47   46                                       
CONECT   46   45   93   94                                            
CONECT   47   45   45   95                                            
CONECT   48   49   49   40   50                                       
CONECT   49   48   48                                                 
CONECT   50   48   96   97                                            
CONECT   51    2                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    9                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   46                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   50                                                      
CONECT   97   50                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
