COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.512   1.365  -1.046  1.00  0.00           C  
HETATM    2  C   UNL     1       2.027   3.280   1.967  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.190  -2.709   1.615  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.969  -1.398   1.270  1.00  0.00           C  
HETATM    5  C   UNL     1       2.536   0.242   2.305  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.415   3.364  -0.325  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.052   2.616  -2.279  1.00  0.00           C  
HETATM    8  C   UNL     1       4.724   0.074   1.236  1.00  0.00           C  
HETATM    9  C   UNL     1       6.679   1.220   0.229  1.00  0.00           C  
HETATM   10  C   UNL     1       6.312  -1.220  -0.162  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.048   2.024  -0.797  1.00  0.00           C  
HETATM   12  C   UNL     1       2.415   1.602  -0.659  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.997  -2.511  -1.055  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.989  -1.636   0.172  1.00  0.00           C  
HETATM   15  C   UNL     1       3.425   0.157   1.091  1.00  0.00           C  
HETATM   16  O   UNL     1       2.842  -2.419  -0.975  1.00  0.00           O  
HETATM   17  O   UNL     1       5.333  -2.216  -0.466  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.462   0.807   0.740  1.00  0.00           O  
HETATM   19  O   UNL     1       0.517  -3.815   0.160  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.454   0.921   1.464  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.158   0.947  -2.131  1.00  0.00           O  
HETATM   22  O   UNL     1       1.363   3.293   0.702  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.802  -1.579   0.831  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.780  -0.623   1.441  1.00  0.00           O  
HETATM   25  O   UNL     1       1.642  -0.671  -0.309  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.459  -0.163  -0.983  1.00  0.00           O  
HETATM   27  C   UNL     1       1.762  -1.947  -0.710  1.00  0.00           C  
HETATM   28  C   UNL     1       5.622   0.132   0.027  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.331   2.045   0.039  1.00  0.00           C  
HETATM   30  C   UNL     1       1.171   1.997   0.132  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.093  -1.440  -1.054  1.00  0.00           C  
HETATM   32  C   UNL     1       0.498  -2.774  -0.819  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.253   0.846   0.282  1.00  0.00           C  
HETATM   34  C   UNL     1       2.820   0.170  -0.289  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.699  -1.850  -0.569  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.999  -0.488   0.252  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.535   2.240  -0.876  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.354   0.942  -0.949  1.00  0.00           C  
HETATM   39  H   UNL     1       6.861   1.641  -1.876  1.00  0.00           H  
HETATM   40  H   UNL     1       8.265   2.140  -0.902  1.00  0.00           H  
HETATM   41  H   UNL     1       8.003   0.418  -1.269  1.00  0.00           H  
HETATM   42  H   UNL     1       2.208   4.304   2.293  1.00  0.00           H  
HETATM   43  H   UNL     1       1.402   2.770   2.700  1.00  0.00           H  
HETATM   44  H   UNL     1       2.978   2.755   1.872  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.980  -3.255   1.099  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.331  -3.364   1.758  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.555  -2.371   2.584  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.703  -2.403   0.944  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.506  -1.453   2.217  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.604  -0.928   0.519  1.00  0.00           H  
HETATM   51  H   UNL     1       2.332   1.287   2.535  1.00  0.00           H  
HETATM   52  H   UNL     1       1.597  -0.275   2.104  1.00  0.00           H  
HETATM   53  H   UNL     1       3.034  -0.227   3.154  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.274   3.507  -0.980  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.760   3.098   0.674  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.838   4.287  -0.276  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.421   1.818  -2.671  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.911   2.756  -2.934  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.478   3.541  -2.230  1.00  0.00           H  
HETATM   60  H   UNL     1       5.152  -0.038   2.221  1.00  0.00           H  
HETATM   61  H   UNL     1       7.330   0.944   1.059  1.00  0.00           H  
HETATM   62  H   UNL     1       6.188   2.167   0.452  1.00  0.00           H  
HETATM   63  H   UNL     1       6.835  -1.493   0.755  1.00  0.00           H  
HETATM   64  H   UNL     1       7.027  -1.152  -0.982  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.042   1.136  -1.430  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.008   2.915  -1.423  1.00  0.00           H  
HETATM   67  H   UNL     1       2.200   1.654  -1.726  1.00  0.00           H  
HETATM   68  H   UNL     1       3.231   2.283  -0.418  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.273  -3.323  -0.382  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.859  -2.897  -2.065  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.521  -2.583   0.086  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.375  -1.645   1.073  1.00  0.00           H  
HETATM   73  H   UNL     1       5.700  -3.100  -0.600  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.789   0.667   1.420  1.00  0.00           H  
HETATM   75  H   UNL     1       1.263  -4.424   0.072  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.960   0.866   2.286  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.704   0.156  -2.238  1.00  0.00           H  
HETATM   78  H   UNL     1       5.027   0.364  -0.857  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.284   2.865   0.755  1.00  0.00           H  
HETATM   80  H   UNL     1       1.004   1.272   0.928  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.687  -1.520  -1.962  1.00  0.00           H  
HETATM   82  H   UNL     1       0.427  -3.208  -1.816  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.970   1.667   0.275  1.00  0.00           H  
HETATM   84  H   UNL     1       3.546  -0.202  -1.011  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.549  -0.913  -1.104  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.654  -0.519  -0.619  1.00  0.00           H  
CONECT    1    9   39   40   41                                       
CONECT    2   22   42   43   44                                       
CONECT    3   23   45   46   47                                       
CONECT    4   24   48   49   50                                       
CONECT    5   15   51   52   53                                       
CONECT    6   37   54   55   56                                       
CONECT    7   37   57   58   59                                       
CONECT    8   28   15   15   60                                       
CONECT    9   28    1   61   62                                       
CONECT   10   17   28   63   64                                       
CONECT   11   29   30   65   66                                       
CONECT   12   34   30   67   68                                       
CONECT   13   31   35   69   70                                       
CONECT   14   36   31   71   72                                       
CONECT   15   34    8    8    5                                       
CONECT   16   27   27                                                 
CONECT   17   10   73                                                 
CONECT   18   29   74                                                 
CONECT   19   32   75                                                 
CONECT   20   33   76                                                 
CONECT   21   38   77                                                 
CONECT   22    2   30                                                 
CONECT   23   35    3                                                 
CONECT   24    4   36                                                 
CONECT   25   27   34                                                 
CONECT   26   31   38                                                 
CONECT   27   32   16   16   25                                       
CONECT   28   10    9    8   78                                       
CONECT   29   37   11   18   79                                       
CONECT   30   22   11   12   80                                       
CONECT   31   14   13   26   81                                       
CONECT   32   19   27   35   82                                       
CONECT   33   36   38   20   83                                       
CONECT   34   25   15   12   84                                       
CONECT   35   32   13   23   85                                       
CONECT   36   24   14   33   86                                       
CONECT   37   38    7   29    6                                       
CONECT   38   21   33   26   37                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   14                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
