COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.840  -0.522   2.709  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.819   0.331   3.753  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.981  -1.431   2.140  1.00  0.00           C  
HETATM    4  C   UNL     1       5.343  -1.000   0.365  1.00  0.00           C  
HETATM    5  C   UNL     1       4.149   2.478  -1.522  1.00  0.00           C  
HETATM    6  C   UNL     1       5.968   3.735  -0.603  1.00  0.00           C  
HETATM    7  C   UNL     1       3.726   4.169   0.119  1.00  0.00           C  
HETATM    8  C   UNL     1       1.429   1.810   0.212  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.086   1.598   0.223  1.00  0.00           C  
HETATM   10  C   UNL     1       1.785   2.891  -0.811  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.453   0.608   1.331  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.976   0.491   1.425  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.780   0.296  -0.201  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.328  -0.196  -1.516  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.344  -0.498   2.533  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.446   0.348   3.596  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.587  -0.557   3.023  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.608  -1.410   1.979  1.00  0.00           C  
HETATM   19  C   UNL     1       3.364   0.329   0.242  1.00  0.00           C  
HETATM   20  C   UNL     1       3.261   3.187  -0.736  1.00  0.00           C  
HETATM   21  C   UNL     1       5.503   2.749  -1.454  1.00  0.00           C  
HETATM   22  C   UNL     1       5.079   4.449   0.179  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.565  -0.453  -2.447  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.495   0.380  -2.663  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.698  -0.846  -3.444  1.00  0.00           C  
HETATM   26  C   UNL     1       5.374  -1.793   1.690  1.00  0.00           C  
HETATM   27  C   UNL     1       6.487  -3.155   0.200  1.00  0.00           C  
HETATM   28  C   UNL     1       6.131  -1.884  -0.620  1.00  0.00           C  
HETATM   29  C   UNL     1       5.761  -3.851  -1.928  1.00  0.00           C  
HETATM   30  C   UNL     1       5.158  -2.444  -1.688  1.00  0.00           C  
HETATM   31  N   UNL     1       2.095   0.557  -0.152  1.00  0.00           N  
HETATM   32  N   UNL     1      -2.509   0.014   0.147  1.00  0.00           N  
HETATM   33  N   UNL     1      -5.720   0.239  -1.658  1.00  0.00           N  
HETATM   34  O   UNL     1       0.105  -0.672   1.031  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.483   0.945   0.544  1.00  0.00           O  
HETATM   36  O   UNL     1       3.956   1.163   0.897  1.00  0.00           O  
HETATM   37  O   UNL     1       3.976  -0.823  -0.092  1.00  0.00           O  
HETATM   38  O   UNL     1      -7.844  -0.053  -2.577  1.00  0.00           O  
HETATM   39  O   UNL     1      -6.173  -1.437  -3.041  1.00  0.00           O  
HETATM   40  O   UNL     1       5.542  -3.169   1.292  1.00  0.00           O  
HETATM   41  O   UNL     1       6.242  -4.285  -0.647  1.00  0.00           O  
HETATM   42  H   UNL     1      -6.293   1.014   4.443  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.581  -2.125   1.569  1.00  0.00           H  
HETATM   44  H   UNL     1       5.832  -0.034   0.487  1.00  0.00           H  
HETATM   45  H   UNL     1       3.786   1.708  -2.187  1.00  0.00           H  
HETATM   46  H   UNL     1       7.025   3.947  -0.549  1.00  0.00           H  
HETATM   47  H   UNL     1       3.032   4.727   0.730  1.00  0.00           H  
HETATM   48  H   UNL     1       1.760   2.123   1.202  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.584   2.550   0.406  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.404   1.200  -0.740  1.00  0.00           H  
HETATM   51  H   UNL     1       1.535   2.541  -1.812  1.00  0.00           H  
HETATM   52  H   UNL     1       1.221   3.798  -0.592  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.057   0.964   2.282  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.402   1.468   1.654  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.283  -1.284  -1.544  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.873  -0.190   3.466  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.994  -1.494   2.261  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.846   1.042   4.166  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.660  -0.568   3.142  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.136  -2.086   1.282  1.00  0.00           H  
HETATM   61  H   UNL     1       6.197   2.192  -2.065  1.00  0.00           H  
HETATM   62  H   UNL     1       5.441   5.225   0.837  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.460   0.056  -2.557  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.892   0.024  -3.614  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.540   1.468  -2.634  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.699  -0.417  -3.460  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.288  -0.850  -4.454  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.747  -1.868  -3.069  1.00  0.00           H  
HETATM   69  H   UNL     1       6.214  -1.471   2.306  1.00  0.00           H  
HETATM   70  H   UNL     1       4.436  -1.665   2.231  1.00  0.00           H  
HETATM   71  H   UNL     1       7.517  -3.133   0.556  1.00  0.00           H  
HETATM   72  H   UNL     1       7.003  -1.382  -1.040  1.00  0.00           H  
HETATM   73  H   UNL     1       4.997  -4.531  -2.305  1.00  0.00           H  
HETATM   74  H   UNL     1       6.594  -3.792  -2.629  1.00  0.00           H  
HETATM   75  H   UNL     1       4.143  -2.513  -1.297  1.00  0.00           H  
HETATM   76  H   UNL     1       5.186  -1.845  -2.598  1.00  0.00           H  
HETATM   77  H   UNL     1       1.623  -0.110  -0.675  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.947  -0.506  -0.449  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.034   1.025  -1.183  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.204  -1.050   0.196  1.00  0.00           H  
CONECT    1   16   15   18   18                                       
CONECT    2   16   16   17   42                                       
CONECT    3   17   17   18   43                                       
CONECT    4   37   26   28   44                                       
CONECT    5   20   20   21   45                                       
CONECT    6   21   21   22   46                                       
CONECT    7   20   22   22   47                                       
CONECT    8    9   31   10   48                                       
CONECT    9   11    8   49   50                                       
CONECT   10    8   20   51   52                                       
CONECT   11   34   12    9   53                                       
CONECT   12   15   32   11   54                                       
CONECT   13   32   14   35   35                                       
CONECT   14   33   13   24   55                                       
CONECT   15    1   12   56   57                                       
CONECT   16    2    2    1   58                                       
CONECT   17    2    3    3   59                                       
CONECT   18    1    1    3   60                                       
CONECT   19   31   37   36   36                                       
CONECT   20   10    5    5    7                                       
CONECT   21    5    6    6   61                                       
CONECT   22    7    7    6   62                                       
CONECT   23   39   39   38   33                                       
CONECT   24   14   63   64   65                                       
CONECT   25   38   66   67   68                                       
CONECT   26   40    4   69   70                                       
CONECT   27   40   41   28   71                                       
CONECT   28    4   27   30   72                                       
CONECT   29   41   30   73   74                                       
CONECT   30   29   28   75   76                                       
CONECT   31    8   19   77                                            
CONECT   32   12   13   78                                            
CONECT   33   23   14   79                                            
CONECT   34   11   80                                                 
CONECT   35   13   13                                                 
CONECT   36   19   19                                                 
CONECT   37   19    4                                                 
CONECT   38   25   23                                                 
CONECT   39   23   23                                                 
CONECT   40   26   27                                                 
CONECT   41   29   27                                                 
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
