COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.898  -2.304   1.653  1.00  0.00           C  
HETATM    2  C   UNL     1       9.962  -0.573  -1.872  1.00  0.00           C  
HETATM    3  C   UNL     1       5.141  -0.232  -1.194  1.00  0.00           C  
HETATM    4  C   UNL     1       1.505  -1.018  -0.287  1.00  0.00           C  
HETATM    5  C   UNL     1       0.256  -0.248  -0.719  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.216  -0.156  -0.550  1.00  0.00           C  
HETATM    7  C   UNL     1      11.225   2.816   2.769  1.00  0.00           C  
HETATM    8  C   UNL     1      10.414   1.563   2.431  1.00  0.00           C  
HETATM    9  C   UNL     1      10.005   1.606   0.981  1.00  0.00           C  
HETATM   10  C   UNL     1      11.462  -0.223   0.543  1.00  0.00           C  
HETATM   11  C   UNL     1      12.822  -0.066   0.309  1.00  0.00           C  
HETATM   12  C   UNL     1      13.712  -1.029   0.742  1.00  0.00           C  
HETATM   13  C   UNL     1      13.250  -2.147   1.413  1.00  0.00           C  
HETATM   14  C   UNL     1      11.002  -1.347   1.217  1.00  0.00           C  
HETATM   15  C   UNL     1      10.211   0.833  -1.321  1.00  0.00           C  
HETATM   16  C   UNL     1       8.773  -1.200  -1.141  1.00  0.00           C  
HETATM   17  C   UNL     1       6.390  -1.003  -0.762  1.00  0.00           C  
HETATM   18  C   UNL     1       2.729  -0.361  -0.873  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.985  -0.915  -0.124  1.00  0.00           C  
HETATM   20  C   UNL     1       7.780   0.979  -0.769  1.00  0.00           C  
HETATM   21  C   UNL     1       8.940   1.671  -1.489  1.00  0.00           C  
HETATM   22  N   UNL     1      10.558   0.748   0.100  1.00  0.00           N  
HETATM   23  N   UNL     1       7.582  -0.362  -1.333  1.00  0.00           N  
HETATM   24  N   UNL     1       3.951  -0.871  -0.625  1.00  0.00           N  
HETATM   25  N   UNL     1      -3.434  -0.564  -0.143  1.00  0.00           N  
HETATM   26  O   UNL     1       9.179   2.411   0.607  1.00  0.00           O  
HETATM   27  O   UNL     1       2.613   0.626  -1.568  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.110   0.822  -1.259  1.00  0.00           O  
HETATM   29  H   UNL     1      11.541  -3.178   2.177  1.00  0.00           H  
HETATM   30  H   UNL     1       9.744  -0.513  -2.938  1.00  0.00           H  
HETATM   31  H   UNL     1      10.849  -1.188  -1.717  1.00  0.00           H  
HETATM   32  H   UNL     1       5.207   0.796  -0.838  1.00  0.00           H  
HETATM   33  H   UNL     1       5.069  -0.236  -2.282  1.00  0.00           H  
HETATM   34  H   UNL     1       1.577  -1.014   0.800  1.00  0.00           H  
HETATM   35  H   UNL     1       1.440  -2.046  -0.643  1.00  0.00           H  
HETATM   36  H   UNL     1       0.322   0.780  -0.363  1.00  0.00           H  
HETATM   37  H   UNL     1       0.185  -0.252  -1.807  1.00  0.00           H  
HETATM   38  H   UNL     1      11.520   2.785   3.818  1.00  0.00           H  
HETATM   39  H   UNL     1      12.115   2.852   2.142  1.00  0.00           H  
HETATM   40  H   UNL     1      10.616   3.702   2.589  1.00  0.00           H  
HETATM   41  H   UNL     1      11.022   0.677   2.612  1.00  0.00           H  
HETATM   42  H   UNL     1       9.523   1.527   3.059  1.00  0.00           H  
HETATM   43  H   UNL     1      13.183   0.806  -0.216  1.00  0.00           H  
HETATM   44  H   UNL     1      14.769  -0.908   0.560  1.00  0.00           H  
HETATM   45  H   UNL     1      13.948  -2.898   1.751  1.00  0.00           H  
HETATM   46  H   UNL     1       9.945  -1.472   1.400  1.00  0.00           H  
HETATM   47  H   UNL     1      11.030   1.300  -1.868  1.00  0.00           H  
HETATM   48  H   UNL     1       8.584  -2.196  -1.541  1.00  0.00           H  
HETATM   49  H   UNL     1       8.998  -1.273  -0.077  1.00  0.00           H  
HETATM   50  H   UNL     1       6.461  -0.999   0.326  1.00  0.00           H  
HETATM   51  H   UNL     1       6.324  -2.031  -1.118  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.051  -1.943  -0.481  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.914  -0.911   0.963  1.00  0.00           H  
HETATM   54  H   UNL     1       8.009   0.896   0.293  1.00  0.00           H  
HETATM   55  H   UNL     1       6.871   1.566  -0.900  1.00  0.00           H  
HETATM   56  H   UNL     1       9.097   2.660  -1.060  1.00  0.00           H  
HETATM   57  H   UNL     1       8.705   1.766  -2.549  1.00  0.00           H  
HETATM   58  H   UNL     1       4.044  -1.661  -0.069  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.519  -1.347   0.424  1.00  0.00           H  
HETATM   60  C   UNL     1      -4.630   0.173  -0.557  1.00  0.00           C  
HETATM   61  C   UNL     1      -5.853  -0.484   0.029  1.00  0.00           C  
HETATM   62  N   UNL     1      -7.076   0.026  -0.219  1.00  0.00           N  
HETATM   63  C   UNL     1      -8.265  -0.613   0.351  1.00  0.00           C  
HETATM   64  C   UNL     1      -9.496   0.146  -0.075  1.00  0.00           C  
HETATM   65  N   UNL     1     -10.714  -0.262   0.333  1.00  0.00           N  
HETATM   66  C   UNL     1     -11.910   0.475  -0.081  1.00  0.00           C  
HETATM   67  C   UNL     1     -13.133  -0.182   0.504  1.00  0.00           C  
HETATM   68  N   UNL     1     -14.356   0.328   0.256  1.00  0.00           N  
HETATM   69  C   UNL     1     -15.545  -0.311   0.826  1.00  0.00           C  
HETATM   70  C   UNL     1     -16.775   0.448   0.400  1.00  0.00           C  
HETATM   71  O   UNL     1     -17.989   0.042   0.806  1.00  0.00           O  
HETATM   72  O   UNL     1      -5.737  -1.471   0.724  1.00  0.00           O  
HETATM   73  O   UNL     1      -9.390   1.124  -0.784  1.00  0.00           O  
HETATM   74  O   UNL     1     -13.017  -1.169   1.199  1.00  0.00           O  
HETATM   75  O   UNL     1     -16.670   1.423  -0.306  1.00  0.00           O  
HETATM   76  H   UNL     1      -4.564   1.202  -0.200  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.701   0.169  -1.644  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.169   0.816  -0.775  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.331  -1.641  -0.005  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.194  -0.609   1.438  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.798  -1.044   0.900  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.844   1.504   0.275  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.981   0.472  -1.169  1.00  0.00           H  
HETATM   84  H   UNL     1     -14.449   1.118  -0.299  1.00  0.00           H  
HETATM   85  H   UNL     1     -15.611  -1.339   0.470  1.00  0.00           H  
HETATM   86  H   UNL     1     -15.474  -0.307   1.913  1.00  0.00           H  
HETATM   87  H   UNL     1     -18.748   0.560   0.507  1.00  0.00           H  
CONECT    1   14   14   13   29                                       
CONECT    2   15   16   30   31                                       
CONECT    3   17   24   32   33                                       
CONECT    4   18    5   34   35                                       
CONECT    5    4   19   36   37                                       
CONECT    6   25   19   28   28                                       
CONECT    7    8   38   39   40                                       
CONECT    8    7    9   41   42                                       
CONECT    9    8   26   26   22                                       
CONECT   10   22   11   11   14                                       
CONECT   11   10   10   12   43                                       
CONECT   12   11   13   13   44                                       
CONECT   13   12   12    1   45                                       
CONECT   14   10    1    1   46                                       
CONECT   15   21   22    2   47                                       
CONECT   16    2   23   48   49                                       
CONECT   17   23    3   50   51                                       
CONECT   18   24   27   27    4                                       
CONECT   19    5    6   52   53                                       
CONECT   20   21   23   54   55                                       
CONECT   21   15   20   56   57                                       
CONECT   22    9   15   10                                            
CONECT   23   20   16   17                                            
CONECT   24    3   18   58                                            
CONECT   25    6   59   60                                            
CONECT   26    9    9                                                 
CONECT   27   18   18                                                 
CONECT   28    6    6                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
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   21                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25   61   76   77                                       
CONECT   61   60   62   72   72                                       
CONECT   62   61   63   78                                            
CONECT   63   62   64   79   80                                       
CONECT   64   63   65   73   73                                       
CONECT   65   64   66   81                                            
CONECT   66   65   67   82   83                                       
CONECT   67   66   68   74   74                                       
CONECT   68   67   69   84                                            
CONECT   69   68   70   85   86                                       
CONECT   70   69   71   75   75                                       
CONECT   71   70   87                                                 
CONECT   72   61   61                                                 
CONECT   73   64   64                                                 
CONECT   74   67   67                                                 
CONECT   75   70   70                                                 
CONECT   76   60                                                      
CONECT   77   60                                                      
CONECT   78   62                                                      
CONECT   79   63                                                      
CONECT   80   63                                                      
CONECT   81   65                                                      
CONECT   82   66                                                      
CONECT   83   66                                                      
CONECT   84   68                                                      
CONECT   85   69                                                      
CONECT   86   69                                                      
CONECT   87   71                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
