COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.268   1.988   0.054  1.00  0.00           C  
HETATM    2  C   UNL     1       1.655  -3.298  -0.269  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.484   0.945   0.852  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.142   0.681   0.166  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.781  -3.067   0.285  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.358  -0.362   0.965  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.209  -1.504   0.837  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.887  -1.764   0.162  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.103  -2.807   0.960  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.632  -4.209   0.157  1.00  0.00           C  
HETATM   11  C   UNL     1       0.312  -3.034   0.416  1.00  0.00           C  
HETATM   12  N   UNL     1     -13.361   3.251  -0.025  1.00  0.00           N  
HETATM   13  N   UNL     1      -7.073  -0.615   0.308  1.00  0.00           N  
HETATM   14  C   UNL     1     -12.610   2.252   0.739  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.917  -3.957   0.814  1.00  0.00           N  
HETATM   16  C   UNL     1     -14.726   3.934  -1.972  1.00  0.00           C  
HETATM   17  C   UNL     1     -13.953   2.906  -1.186  1.00  0.00           C  
HETATM   18  O   UNL     1     -13.865   1.769  -1.597  1.00  0.00           O  
HETATM   19  O   UNL     1      -6.496  -2.095   1.857  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.494  -2.476  -0.735  1.00  0.00           O  
HETATM   21  C   UNL     1       2.599  -2.122  -0.010  1.00  0.00           C  
HETATM   22  C   UNL     1       3.941  -2.386  -0.696  1.00  0.00           C  
HETATM   23  N   UNL     1       4.846  -1.261  -0.448  1.00  0.00           N  
HETATM   24  C   UNL     1       6.093  -1.274  -0.959  1.00  0.00           C  
HETATM   25  O   UNL     1       6.467  -2.217  -1.623  1.00  0.00           O  
HETATM   26  C   UNL     1       7.024  -0.116  -0.703  1.00  0.00           C  
HETATM   27  C   UNL     1       8.366  -0.380  -1.389  1.00  0.00           C  
HETATM   28  C   UNL     1       9.297   0.777  -1.134  1.00  0.00           C  
HETATM   29  O   UNL     1       8.923   1.720  -0.469  1.00  0.00           O  
HETATM   30  N   UNL     1      10.544   0.765  -1.644  1.00  0.00           N  
HETATM   31  C   UNL     1      11.448   1.890  -1.396  1.00  0.00           C  
HETATM   32  C   UNL     1      11.963   1.823   0.043  1.00  0.00           C  
HETATM   33  C   UNL     1      12.908   2.998   0.302  1.00  0.00           C  
HETATM   34  C   UNL     1      13.422   2.931   1.741  1.00  0.00           C  
HETATM   35  C   UNL     1      14.367   4.106   2.000  1.00  0.00           C  
HETATM   36  N   UNL     1      14.861   4.042   3.382  1.00  0.00           N  
HETATM   37  O   UNL     1      10.980  -0.337  -2.421  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.252  -4.647   2.004  1.00  0.00           O  
HETATM   39  O   UNL     1     -13.465   4.579   0.455  1.00  0.00           O  
HETATM   40  H   UNL     1     -10.696   2.915   0.006  1.00  0.00           H  
HETATM   41  H   UNL     1     -11.443   1.617  -0.956  1.00  0.00           H  
HETATM   42  H   UNL     1       2.093  -4.212   0.131  1.00  0.00           H  
HETATM   43  H   UNL     1       1.499  -3.409  -1.342  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.309   1.316   1.862  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.056   0.018   0.899  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.317   0.310  -0.844  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.570   1.607   0.119  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.183   0.009   1.974  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.930  -1.289   1.012  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.062  -2.135  -0.848  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.315  -0.837   0.114  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.675  -3.734   1.008  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.928  -2.436   1.970  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.788  -4.320  -0.916  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.193  -5.123   0.557  1.00  0.00           H  
HETATM   56  H   UNL     1       0.468  -2.923   1.489  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.126  -2.120   0.016  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.843  -0.142  -0.507  1.00  0.00           H  
HETATM   59  H   UNL     1     -13.182   1.325   0.787  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.436   2.623   1.749  1.00  0.00           H  
HETATM   61  H   UNL     1     -14.057   4.433  -2.673  1.00  0.00           H  
HETATM   62  H   UNL     1     -15.528   3.442  -2.523  1.00  0.00           H  
HETATM   63  H   UNL     1     -15.151   4.669  -1.289  1.00  0.00           H  
HETATM   64  H   UNL     1       2.160  -1.209  -0.410  1.00  0.00           H  
HETATM   65  H   UNL     1       2.755  -2.011   1.063  1.00  0.00           H  
HETATM   66  H   UNL     1       4.380  -3.300  -0.296  1.00  0.00           H  
HETATM   67  H   UNL     1       3.786  -2.498  -1.769  1.00  0.00           H  
HETATM   68  H   UNL     1       4.547  -0.507   0.084  1.00  0.00           H  
HETATM   69  H   UNL     1       6.585   0.798  -1.103  1.00  0.00           H  
HETATM   70  H   UNL     1       7.180  -0.005   0.370  1.00  0.00           H  
HETATM   71  H   UNL     1       8.805  -1.294  -0.989  1.00  0.00           H  
HETATM   72  H   UNL     1       8.210  -0.491  -2.462  1.00  0.00           H  
HETATM   73  H   UNL     1      12.291   1.838  -2.086  1.00  0.00           H  
HETATM   74  H   UNL     1      10.913   2.827  -1.547  1.00  0.00           H  
HETATM   75  H   UNL     1      11.121   1.875   0.733  1.00  0.00           H  
HETATM   76  H   UNL     1      12.499   0.886   0.194  1.00  0.00           H  
HETATM   77  H   UNL     1      13.750   2.946  -0.388  1.00  0.00           H  
HETATM   78  H   UNL     1      12.372   3.935   0.151  1.00  0.00           H  
HETATM   79  H   UNL     1      12.580   2.983   2.431  1.00  0.00           H  
HETATM   80  H   UNL     1      13.958   1.994   1.892  1.00  0.00           H  
HETATM   81  H   UNL     1      15.210   4.054   1.310  1.00  0.00           H  
HETATM   82  H   UNL     1      13.831   5.043   1.849  1.00  0.00           H  
HETATM   83  H   UNL     1      15.306   3.155   3.566  1.00  0.00           H  
HETATM   84  H   UNL     1      15.488   4.808   3.578  1.00  0.00           H  
HETATM   85  H   UNL     1      11.888  -0.256  -2.743  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.571  -5.263   2.306  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.979   5.165  -0.117  1.00  0.00           H  
CONECT    1   14    3   40   41                                       
CONECT    2   21   11   42   43                                       
CONECT    3    1    4   44   45                                       
CONECT    4    3    6   46   47                                       
CONECT    5    9   20   20   15                                       
CONECT    6    4   13   48   49                                       
CONECT    7   13    8   19   19                                       
CONECT    8    7    9   50   51                                       
CONECT    9    8    5   52   53                                       
CONECT   10   15   11   54   55                                       
CONECT   11    2   10   56   57                                       
CONECT   12   14   17   39                                            
CONECT   13    6    7   58                                            
CONECT   14    1   12   59   60                                       
CONECT   15    5   38   10                                            
CONECT   16   17   61   62   63                                       
CONECT   17   16   12   18   18                                       
CONECT   18   17   17                                                 
CONECT   19    7    7                                                 
CONECT   20    5    5                                                 
CONECT   21   22    2   64   65                                       
CONECT   22   23   21   66   67                                       
CONECT   23   22   24   68                                            
CONECT   24   23   26   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   27   24   69   70                                       
CONECT   27   28   26   71   72                                       
CONECT   28   30   29   29   27                                       
CONECT   29   28   28                                                 
CONECT   30   31   37   28                                            
CONECT   31   32   30   73   74                                       
CONECT   32   33   31   75   76                                       
CONECT   33   34   32   77   78                                       
CONECT   34   35   33   79   80                                       
CONECT   35   36   34   81   82                                       
CONECT   36   35   83   84                                            
CONECT   37   30   85                                                 
CONECT   38   15   86                                                 
CONECT   39   12   87                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
