COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.451  -1.206  -0.728  1.00  0.00           C  
HETATM    2  C   UNL     1       6.550  -3.794  -2.659  1.00  0.00           C  
HETATM    3  C   UNL     1       2.956  -0.019   0.854  1.00  0.00           C  
HETATM    4  C   UNL     1       5.021   2.941   1.138  1.00  0.00           C  
HETATM    5  C   UNL     1       6.146   3.950   0.899  1.00  0.00           C  
HETATM    6  C   UNL     1       7.391   3.520   1.678  1.00  0.00           C  
HETATM    7  C   UNL     1       1.389   2.847  -0.067  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.781   3.963   0.720  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.493  -4.374   1.333  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.136  -4.631   0.878  1.00  0.00           C  
HETATM   11  C   UNL     1       0.661  -3.988  -0.259  1.00  0.00           C  
HETATM   12  C   UNL     1       1.838  -3.239   0.311  1.00  0.00           C  
HETATM   13  C   UNL     1       3.370  -1.373   0.342  1.00  0.00           C  
HETATM   14  C   UNL     1       4.960  -2.583  -1.159  1.00  0.00           C  
HETATM   15  C   UNL     1       6.041  -2.417  -2.228  1.00  0.00           C  
HETATM   16  C   UNL     1       2.651   2.362   0.598  1.00  0.00           C  
HETATM   17  C   UNL     1       3.776   3.371   0.359  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.567   4.246  -0.168  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.946   3.483  -0.147  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.950   2.723   0.722  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.208   2.424  -0.095  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.774   2.470  -2.488  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.858   1.166   0.423  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.821  -1.179   0.995  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.074  -2.407   0.541  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.946  -4.493   0.950  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.541  -4.779   0.449  1.00  0.00           N  
HETATM   28  N   UNL     1       2.196  -2.048  -0.245  1.00  0.00           N  
HETATM   29  N   UNL     1       7.588  -3.634  -3.686  1.00  0.00           N  
HETATM   30  N   UNL     1       3.027   1.056   0.022  1.00  0.00           N  
HETATM   31  N   UNL     1       8.471   4.489   1.448  1.00  0.00           N  
HETATM   32  N   UNL     1       0.655   3.820   0.551  1.00  0.00           N  
HETATM   33  N   UNL     1      -4.844   2.240  -1.502  1.00  0.00           N  
HETATM   34  N   UNL     1      -5.433   2.299  -3.809  1.00  0.00           N  
HETATM   35  N   UNL     1      -6.980   2.851  -2.171  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.128   0.019   0.480  1.00  0.00           N  
HETATM   37  N   UNL     1      -4.671  -3.315   1.479  1.00  0.00           N  
HETATM   38  O   UNL     1      -2.177  -3.924   2.414  1.00  0.00           O  
HETATM   39  O   UNL     1       2.459  -3.691   1.250  1.00  0.00           O  
HETATM   40  O   UNL     1       2.558   0.111   1.992  1.00  0.00           O  
HETATM   41  O   UNL     1       1.032   2.384  -1.130  1.00  0.00           O  
HETATM   42  O   UNL     1      -7.015   1.177   0.785  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.837  -2.585  -0.635  1.00  0.00           O  
HETATM   44  H   UNL     1       4.032  -0.688  -1.591  1.00  0.00           H  
HETATM   45  H   UNL     1       5.278  -0.624  -0.322  1.00  0.00           H  
HETATM   46  H   UNL     1       6.970  -4.312  -1.796  1.00  0.00           H  
HETATM   47  H   UNL     1       5.723  -4.376  -3.065  1.00  0.00           H  
HETATM   48  H   UNL     1       5.339   1.955   0.799  1.00  0.00           H  
HETATM   49  H   UNL     1       4.788   2.902   2.202  1.00  0.00           H  
HETATM   50  H   UNL     1       6.378   3.989  -0.166  1.00  0.00           H  
HETATM   51  H   UNL     1       5.828   4.936   1.237  1.00  0.00           H  
HETATM   52  H   UNL     1       7.158   3.481   2.742  1.00  0.00           H  
HETATM   53  H   UNL     1       7.708   2.534   1.339  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.527   3.192   1.448  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.069   4.876   1.243  1.00  0.00           H  
HETATM   56  H   UNL     1       0.282  -5.611   1.108  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.087  -3.996   1.763  1.00  0.00           H  
HETATM   58  H   UNL     1       1.017  -4.764  -0.937  1.00  0.00           H  
HETATM   59  H   UNL     1       0.020  -3.295  -0.805  1.00  0.00           H  
HETATM   60  H   UNL     1       3.761  -1.971   1.165  1.00  0.00           H  
HETATM   61  H   UNL     1       5.380  -3.102  -0.296  1.00  0.00           H  
HETATM   62  H   UNL     1       4.133  -3.166  -1.565  1.00  0.00           H  
HETATM   63  H   UNL     1       6.868  -1.834  -1.822  1.00  0.00           H  
HETATM   64  H   UNL     1       5.622  -1.898  -3.091  1.00  0.00           H  
HETATM   65  H   UNL     1       2.479   2.252   1.669  1.00  0.00           H  
HETATM   66  H   UNL     1       3.458   4.357   0.698  1.00  0.00           H  
HETATM   67  H   UNL     1       4.009   3.410  -0.705  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.658   3.687  -1.099  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.512   5.313  -0.384  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.438   4.342  -0.604  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.569   2.822  -0.928  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.504   1.788   1.059  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.215   3.332   1.587  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.906   3.256  -0.006  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.839  -1.206   0.607  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.845  -1.148   2.084  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.037  -4.522  -0.136  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.364  -5.405   1.377  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.773  -5.147  -0.418  1.00  0.00           H  
HETATM   80  H   UNL     1       1.705  -1.664  -0.987  1.00  0.00           H  
HETATM   81  H   UNL     1       7.940  -4.530  -3.987  1.00  0.00           H  
HETATM   82  H   UNL     1       7.242  -3.099  -4.469  1.00  0.00           H  
HETATM   83  H   UNL     1       3.312   0.969  -0.901  1.00  0.00           H  
HETATM   84  H   UNL     1       8.178   5.422   1.694  1.00  0.00           H  
HETATM   85  H   UNL     1       9.305   4.227   1.952  1.00  0.00           H  
HETATM   86  H   UNL     1       0.916   4.205   1.402  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.947   1.957  -1.738  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.089   2.461  -4.504  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.536   2.015  -4.045  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.221   2.972  -1.239  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.200  -0.010   0.197  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.848  -3.196   2.425  1.00  0.00           H  
CONECT    1   13   14   44   45                                       
CONECT    2   15   29   46   47                                       
CONECT    3   40   40   13   30                                       
CONECT    4   17    5   48   49                                       
CONECT    5    4    6   50   51                                       
CONECT    6    5   31   52   53                                       
CONECT    7   32   41   41   16                                       
CONECT    8   19   18   54   55                                       
CONECT    9   38   38   26   27                                       
CONECT   10   27   11   56   57                                       
CONECT   11   10   12   58   59                                       
CONECT   12   39   39   11   28                                       
CONECT   13    3   28    1   60                                       
CONECT   14    1   15   61   62                                       
CONECT   15   14    2   63   64                                       
CONECT   16    7   30   17   65                                       
CONECT   17   16    4   66   67                                       
CONECT   18    8   32   68   69                                       
CONECT   19   20    8   70   71                                       
CONECT   20   19   21   72   73                                       
CONECT   21   33   20   23   74                                       
CONECT   22   34   33   35   35                                       
CONECT   23   36   21   42   42                                       
CONECT   24   36   25   75   76                                       
CONECT   25   43   43   24   37                                       
CONECT   26   37    9   77   78                                       
CONECT   27    9   10   79                                            
CONECT   28   12   13   80                                            
CONECT   29    2   81   82                                            
CONECT   30    3   16   83                                            
CONECT   31    6   84   85                                            
CONECT   32   18    7   86                                            
CONECT   33   22   21   87                                            
CONECT   34   22   88   89                                            
CONECT   35   22   22   90                                            
CONECT   36   24   23   91                                            
CONECT   37   25   26   92                                            
CONECT   38    9    9                                                 
CONECT   39   12   12                                                 
CONECT   40    3    3                                                 
CONECT   41    7    7                                                 
CONECT   42   23   23                                                 
CONECT   43   25   25                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
