COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.749   0.338   0.788  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.143   0.365  -0.096  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.591   0.416  -0.590  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.343   1.781  -1.268  1.00  0.00           C  
HETATM    5  C   UNL     1       2.050   2.620  -0.599  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.108  -0.730  -1.563  1.00  0.00           C  
HETATM    7  C   UNL     1       0.618  -3.156  -1.028  1.00  0.00           C  
HETATM    8  C   UNL     1       5.814   2.522   1.374  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.477  -2.104   2.679  1.00  0.00           C  
HETATM   10  C   UNL     1       0.994  -3.309  -2.492  1.00  0.00           C  
HETATM   11  C   UNL     1       1.360  -0.339  -1.672  1.00  0.00           C  
HETATM   12  C   UNL     1       2.257   4.131  -0.464  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.524   2.765  -1.330  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.859   0.616   1.263  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.314  -1.996  -0.745  1.00  0.00           C  
HETATM   16  C   UNL     1       1.813  -3.122  -0.121  1.00  0.00           C  
HETATM   17  O   UNL     1       1.775  -3.752   0.924  1.00  0.00           O  
HETATM   18  C   UNL     1       3.026  -2.366  -0.433  1.00  0.00           C  
HETATM   19  C   UNL     1       3.800  -1.939   0.559  1.00  0.00           C  
HETATM   20  C   UNL     1       5.035  -1.108   0.365  1.00  0.00           C  
HETATM   21  C   UNL     1       5.508  -1.127  -1.086  1.00  0.00           C  
HETATM   22  O   UNL     1       6.081  -1.627   1.199  1.00  0.00           O  
HETATM   23  C   UNL     1       6.065   1.120   0.816  1.00  0.00           C  
HETATM   24  O   UNL     1       3.834   0.964  -0.146  1.00  0.00           O  
HETATM   25  C   UNL     1       3.003   1.905   0.327  1.00  0.00           C  
HETATM   26  O   UNL     1       3.013   2.187   1.503  1.00  0.00           O  
HETATM   27  C   UNL     1       0.631   2.277  -0.228  1.00  0.00           C  
HETATM   28  O   UNL     1       0.263   2.405   0.917  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.874   0.408  -0.871  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.259   0.313  -1.217  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.795   1.608  -1.351  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.958  -0.799   0.713  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.780  -0.835   1.881  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.254  -0.832   1.466  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.535   0.411   0.617  1.00  0.00           C  
HETATM   36  N   UNL     1      -6.928   0.383   0.151  1.00  0.00           N  
HETATM   37  C   UNL     1      -7.230  -0.882  -0.532  1.00  0.00           C  
HETATM   38  H   UNL     1       4.311   0.336   1.787  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.929   1.256   0.495  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.794  -0.455  -1.214  1.00  0.00           H  
HETATM   41  H   UNL     1       0.124   1.763  -2.248  1.00  0.00           H  
HETATM   42  H   UNL     1       2.247   2.322  -1.627  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.526  -0.865  -2.565  1.00  0.00           H  
HETATM   44  H   UNL     1       0.057  -4.085  -0.755  1.00  0.00           H  
HETATM   45  H   UNL     1       5.096   3.042   0.740  1.00  0.00           H  
HETATM   46  H   UNL     1       5.416   2.445   2.386  1.00  0.00           H  
HETATM   47  H   UNL     1       6.751   3.079   1.394  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.427  -2.106   2.974  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.104  -2.131   3.570  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.683  -2.979   2.063  1.00  0.00           H  
HETATM   51  H   UNL     1       1.381  -2.362  -2.868  1.00  0.00           H  
HETATM   52  H   UNL     1       1.759  -4.079  -2.592  1.00  0.00           H  
HETATM   53  H   UNL     1       0.112  -3.595  -3.065  1.00  0.00           H  
HETATM   54  H   UNL     1       1.735  -0.055  -0.688  1.00  0.00           H  
HETATM   55  H   UNL     1       1.935  -1.185  -2.049  1.00  0.00           H  
HETATM   56  H   UNL     1       1.462   0.503  -2.356  1.00  0.00           H  
HETATM   57  H   UNL     1       3.285   4.382  -0.727  1.00  0.00           H  
HETATM   58  H   UNL     1       1.574   4.653  -1.134  1.00  0.00           H  
HETATM   59  H   UNL     1       2.061   4.435   0.564  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.148   3.774  -1.498  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.188   2.484  -2.148  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.073   2.733  -0.389  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.659   1.591   1.707  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.883   0.591   0.891  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.727  -0.160   2.016  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.240  -1.737   0.324  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.353  -2.338  -0.898  1.00  0.00           H  
HETATM   68  H   UNL     1       3.283  -2.197  -1.467  1.00  0.00           H  
HETATM   69  H   UNL     1       3.515  -2.207   1.578  1.00  0.00           H  
HETATM   70  H   UNL     1       4.723  -0.729  -1.730  1.00  0.00           H  
HETATM   71  H   UNL     1       6.404  -0.514  -1.185  1.00  0.00           H  
HETATM   72  H   UNL     1       5.735  -2.152  -1.381  1.00  0.00           H  
HETATM   73  H   UNL     1       6.316  -2.545   1.010  1.00  0.00           H  
HETATM   74  H   UNL     1       6.783   0.600   1.451  1.00  0.00           H  
HETATM   75  H   UNL     1       6.464   1.197  -0.196  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.774   0.284   0.213  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.226   1.680  -2.129  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.574   0.040   2.497  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.470  -1.728   0.883  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.883  -0.815   2.356  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.367   1.307   1.214  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.267  -0.876  -0.867  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.571  -0.996  -1.393  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.075  -1.712   0.156  1.00  0.00           H  
CONECT    1   20   24   23   38                                       
CONECT    2   32   30    3   39                                       
CONECT    3    2   35   31   40                                       
CONECT    4   29   13   27   41                                       
CONECT    5   25   27   12   42                                       
CONECT    6   11   15   29   43                                       
CONECT    7   10   15   16   44                                       
CONECT    8   23   45   46   47                                       
CONECT    9   33   48   49   50                                       
CONECT   10    7   51   52   53                                       
CONECT   11    6   54   55   56                                       
CONECT   12    5   57   58   59                                       
CONECT   13    4   60   61   62                                       
CONECT   14   36   63   64   65                                       
CONECT   15    7    6   66   67                                       
CONECT   16    7   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   19   68                                       
CONECT   19   18   18   20   69                                       
CONECT   20   22   19    1   21                                       
CONECT   21   20   70   71   72                                       
CONECT   22   20   73                                                 
CONECT   23    1    8   74   75                                       
CONECT   24    1   25                                                 
CONECT   25   26   26   24    5                                       
CONECT   26   25   25                                                 
CONECT   27    4   28   28    5                                       
CONECT   28   27   27                                                 
CONECT   29    6   30    4   76                                       
CONECT   30   29    2                                                 
CONECT   31    3   77                                                 
CONECT   32   33    2                                                 
CONECT   33    9   32   34   78                                       
CONECT   34   33   35   79   80                                       
CONECT   35   34    3   36   81                                       
CONECT   36   35   14   37                                            
CONECT   37   36   82   83   84                                       
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   29                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
