COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.190  -1.541  -0.075  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.262  -0.592  -0.302  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.467   0.272  -1.131  1.00  0.00           O  
HETATM    4  N   UNL     1      -3.105  -0.602   0.390  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.095   0.431   0.143  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.715  -0.103   0.531  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.711  -0.452   1.917  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.393  -1.342  -0.308  1.00  0.00           C  
HETATM    9  C   UNL     1       1.035  -1.803  -0.010  1.00  0.00           C  
HETATM   10  C   UNL     1       1.396  -3.014  -0.872  1.00  0.00           C  
HETATM   11  C   UNL     1       2.777  -3.496  -0.508  1.00  0.00           C  
HETATM   12  C   UNL     1       3.882  -2.994  -1.170  1.00  0.00           C  
HETATM   13  C   UNL     1       5.148  -3.433  -0.832  1.00  0.00           C  
HETATM   14  C   UNL     1       5.309  -4.381   0.161  1.00  0.00           C  
HETATM   15  C   UNL     1       4.204  -4.887   0.819  1.00  0.00           C  
HETATM   16  C   UNL     1       2.938  -4.445   0.484  1.00  0.00           C  
HETATM   17  C   UNL     1       2.012  -0.667  -0.241  1.00  0.00           C  
HETATM   18  O   UNL     1       2.227  -0.081  -1.283  1.00  0.00           O  
HETATM   19  C   UNL     1       3.677   0.600   1.268  1.00  0.00           C  
HETATM   20  C   UNL     1       3.130   2.008   0.950  1.00  0.00           C  
HETATM   21  C   UNL     1       3.978   3.716  -0.701  1.00  0.00           C  
HETATM   22  C   UNL     1       4.377   2.732   0.401  1.00  0.00           C  
HETATM   23  C   UNL     1       5.256   1.637  -0.166  1.00  0.00           C  
HETATM   24  C   UNL     1       6.319   1.705  -1.049  1.00  0.00           C  
HETATM   25  C   UNL     1       6.980   0.554  -1.432  1.00  0.00           C  
HETATM   26  C   UNL     1       6.577  -0.671  -0.934  1.00  0.00           C  
HETATM   27  C   UNL     1       5.515  -0.742  -0.054  1.00  0.00           C  
HETATM   28  C   UNL     1       4.851   0.411   0.332  1.00  0.00           C  
HETATM   29  N   UNL     1       1.186  -2.123   1.418  1.00  0.00           N  
HETATM   30  C   UNL     1       2.127  -1.287   1.929  1.00  0.00           C  
HETATM   31  C   UNL     1       2.622  -0.443   1.003  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.417   1.669   0.982  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.720   2.267   0.517  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.723   3.229  -0.476  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.919   3.774  -0.906  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.110   3.363  -0.337  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.106   2.404   0.659  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.911   1.857   1.086  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.435  -1.531  -0.821  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.527  -0.764  -0.041  1.00  0.00           C  
HETATM   41  O   UNL     1      -8.745  -1.503  -0.292  1.00  0.00           O  
HETATM   42  C   UNL     1      -8.366  -2.895  -0.234  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.000  -2.963  -0.952  1.00  0.00           C  
HETATM   44  C   UNL     1       3.140   4.820  -0.109  1.00  0.00           C  
HETATM   45  N   UNL     1       2.575   5.742  -0.913  1.00  0.00           N  
HETATM   46  O   UNL     1       2.975   4.878   1.091  1.00  0.00           O  
HETATM   47  H   UNL     1      -2.941  -1.292   1.052  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.098   0.697  -0.914  1.00  0.00           H  
HETATM   49  H   UNL     1       0.036   0.665   0.347  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.388  -1.132   2.036  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.484  -1.098  -1.366  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.092  -2.141  -0.059  1.00  0.00           H  
HETATM   53  H   UNL     1       0.675  -3.812  -0.698  1.00  0.00           H  
HETATM   54  H   UNL     1       1.377  -2.730  -1.925  1.00  0.00           H  
HETATM   55  H   UNL     1       3.756  -2.253  -1.945  1.00  0.00           H  
HETATM   56  H   UNL     1       6.012  -3.037  -1.346  1.00  0.00           H  
HETATM   57  H   UNL     1       6.299  -4.726   0.423  1.00  0.00           H  
HETATM   58  H   UNL     1       4.330  -5.628   1.595  1.00  0.00           H  
HETATM   59  H   UNL     1       2.074  -4.841   0.999  1.00  0.00           H  
HETATM   60  H   UNL     1       4.008   0.548   2.305  1.00  0.00           H  
HETATM   61  H   UNL     1       2.766   2.496   1.854  1.00  0.00           H  
HETATM   62  H   UNL     1       2.347   1.958   0.193  1.00  0.00           H  
HETATM   63  H   UNL     1       3.403   3.193  -1.465  1.00  0.00           H  
HETATM   64  H   UNL     1       4.876   4.142  -1.150  1.00  0.00           H  
HETATM   65  H   UNL     1       4.896   3.255   1.205  1.00  0.00           H  
HETATM   66  H   UNL     1       6.634   2.662  -1.438  1.00  0.00           H  
HETATM   67  H   UNL     1       7.811   0.612  -2.120  1.00  0.00           H  
HETATM   68  H   UNL     1       7.093  -1.572  -1.232  1.00  0.00           H  
HETATM   69  H   UNL     1       5.202  -1.699   0.335  1.00  0.00           H  
HETATM   70  H   UNL     1       0.702  -2.807   1.905  1.00  0.00           H  
HETATM   71  H   UNL     1       2.442  -1.297   2.962  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.501   1.386   2.031  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.619   2.403   0.867  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.793   3.550  -0.920  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.922   4.522  -1.684  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.044   3.791  -0.671  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.036   2.084   1.104  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.908   1.108   1.864  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.287  -1.088  -1.806  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.298  -0.760   1.024  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.618   0.256  -0.414  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.100  -3.510  -0.756  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.267  -3.219   0.802  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.132  -3.227  -2.001  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.344  -3.679  -0.457  1.00  0.00           H  
HETATM   86  H   UNL     1       2.036   6.453  -0.532  1.00  0.00           H  
HETATM   87  H   UNL     1       2.711   5.698  -1.872  1.00  0.00           H  
CONECT    1    2   39                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   47                                            
CONECT    5    4    6   32   48                                       
CONECT    6    5    7    8   49                                       
CONECT    7    6   50                                                 
CONECT    8    6    9   51   52                                       
CONECT    9    8   10   17   29                                       
CONECT   10    9   11   53   54                                       
CONECT   11   10   12   16   16                                       
CONECT   12   11   13   13   55                                       
CONECT   13   12   12   14   56                                       
CONECT   14   13   15   15   57                                       
CONECT   15   14   14   16   58                                       
CONECT   16   11   11   15   59                                       
CONECT   17    9   18   18   31                                       
CONECT   18   17   17                                                 
CONECT   19   20   28   31   60                                       
CONECT   20   19   22   61   62                                       
CONECT   21   22   44   63   64                                       
CONECT   22   20   21   23   65                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   66                                       
CONECT   25   24   26   26   67                                       
CONECT   26   25   25   27   68                                       
CONECT   27   26   28   28   69                                       
CONECT   28   19   23   27   27                                       
CONECT   29    9   30   70                                            
CONECT   30   29   31   31   71                                       
CONECT   31   17   19   30   30                                       
CONECT   32    5   33   72   73                                       
CONECT   33   32   34   38   38                                       
CONECT   34   33   35   35   74                                       
CONECT   35   34   34   36   75                                       
CONECT   36   35   37   37   76                                       
CONECT   37   36   36   38   77                                       
CONECT   38   33   33   37   78                                       
CONECT   39    1   40   43   79                                       
CONECT   40   39   41   80   81                                       
CONECT   41   40   42                                                 
CONECT   42   41   43   82   83                                       
CONECT   43   39   42   84   85                                       
CONECT   44   21   45   46   46                                       
CONECT   45   44   86   87                                            
CONECT   46   44   44                                                 
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   42                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   43                                                      
CONECT   86   45                                                      
CONECT   87   45                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
