COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.661   2.364  -0.023  1.00  0.00           C  
HETATM    2  C   UNL     1       5.761   3.744  -0.163  1.00  0.00           C  
HETATM    3  C   UNL     1       4.410   1.732  -0.194  1.00  0.00           C  
HETATM    4  C   UNL     1       5.320  -1.965   0.394  1.00  0.00           C  
HETATM    5  C   UNL     1       3.961  -2.442   0.839  1.00  0.00           C  
HETATM    6  O   UNL     1       3.353  -0.338  -0.468  1.00  0.00           O  
HETATM    7  O   UNL     1       7.850   2.063   0.746  1.00  0.00           O  
HETATM    8  C   UNL     1       3.287   2.494  -0.499  1.00  0.00           C  
HETATM    9  C   UNL     1       3.407   3.867  -0.633  1.00  0.00           C  
HETATM   10  C   UNL     1       4.633   4.486  -0.468  1.00  0.00           C  
HETATM   11  C   UNL     1       1.786  -3.464   0.406  1.00  0.00           C  
HETATM   12  C   UNL     1       0.819  -2.401  -0.119  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.610  -2.767   0.286  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.577  -1.704  -0.240  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.989  -2.003   0.270  1.00  0.00           C  
HETATM   16  C   UNL     1       6.844   1.547   0.308  1.00  0.00           C  
HETATM   17  C   UNL     1       6.774   0.052   0.088  1.00  0.00           C  
HETATM   18  C   UNL     1       5.443  -0.462   0.654  1.00  0.00           C  
HETATM   19  C   UNL     1       4.315   0.267  -0.045  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.932  -0.874  -0.151  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.344  -1.173   0.358  1.00  0.00           C  
HETATM   22  C   UNL     1       6.848  -0.252  -1.409  1.00  0.00           C  
HETATM   23  C   UNL     1       3.719  -3.502  -1.347  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.573  -1.722  -1.769  1.00  0.00           C  
HETATM   25  C   UNL     1       3.194  -3.103   0.008  1.00  0.00           C  
HETATM   26  O   UNL     1       5.390  -0.212   2.060  1.00  0.00           O  
HETATM   27  H   UNL     1       6.715   4.235  -0.035  1.00  0.00           H  
HETATM   28  H   UNL     1       6.092  -2.495   0.952  1.00  0.00           H  
HETATM   29  H   UNL     1       5.442  -2.161  -0.672  1.00  0.00           H  
HETATM   30  H   UNL     1       3.620  -2.239   1.844  1.00  0.00           H  
HETATM   31  H   UNL     1       2.327   2.018  -0.630  1.00  0.00           H  
HETATM   32  H   UNL     1       2.536   4.459  -0.870  1.00  0.00           H  
HETATM   33  H   UNL     1       4.711   5.558  -0.576  1.00  0.00           H  
HETATM   34  H   UNL     1       1.717  -3.512   1.493  1.00  0.00           H  
HETATM   35  H   UNL     1       1.526  -4.433  -0.018  1.00  0.00           H  
HETATM   36  H   UNL     1       1.079  -1.431   0.305  1.00  0.00           H  
HETATM   37  H   UNL     1       0.888  -2.352  -1.206  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.871  -3.737  -0.138  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.679  -2.816   1.372  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.264  -0.722   0.113  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.337  -2.945  -0.155  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.974  -2.078   1.357  1.00  0.00           H  
HETATM   43  H   UNL     1       7.603  -0.433   0.605  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.585   0.067   0.274  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.947  -0.799  -1.238  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.692  -2.115  -0.067  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.329  -1.248   1.446  1.00  0.00           H  
HETATM   48  H   UNL     1       7.787   0.129  -1.811  1.00  0.00           H  
HETATM   49  H   UNL     1       6.798  -1.330  -1.564  1.00  0.00           H  
HETATM   50  H   UNL     1       6.013   0.227  -1.919  1.00  0.00           H  
HETATM   51  H   UNL     1       3.589  -2.675  -2.045  1.00  0.00           H  
HETATM   52  H   UNL     1       4.778  -3.747  -1.269  1.00  0.00           H  
HETATM   53  H   UNL     1       3.170  -4.371  -1.708  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.262  -0.965  -2.144  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.567  -1.510  -2.132  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.886  -2.705  -2.122  1.00  0.00           H  
HETATM   57  H   UNL     1       4.571  -0.507   2.481  1.00  0.00           H  
HETATM   58  C   UNL     1      -6.287  -0.045  -0.062  1.00  0.00           C  
HETATM   59  C   UNL     1      -7.720  -0.402   0.338  1.00  0.00           C  
HETATM   60  C   UNL     1      -8.679   0.666  -0.192  1.00  0.00           C  
HETATM   61  C   UNL     1     -10.112   0.309   0.207  1.00  0.00           C  
HETATM   62  C   UNL     1     -11.071   1.377  -0.322  1.00  0.00           C  
HETATM   63  C   UNL     1     -12.513   0.957  -0.031  1.00  0.00           C  
HETATM   64  C   UNL     1     -10.779   2.711   0.367  1.00  0.00           C  
HETATM   65  C   UNL     1      -5.872   1.253   0.633  1.00  0.00           C  
HETATM   66  H   UNL     1      -6.234   0.090  -1.143  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.985  -1.370  -0.087  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.793  -0.449   1.424  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.414   1.635   0.232  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.606   0.713  -1.279  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.377  -0.660  -0.216  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.185   0.262   1.294  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.934   1.486  -1.398  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.649   0.848   1.044  1.00  0.00           H  
HETATM   75  H   UNL     1     -13.196   1.718  -0.409  1.00  0.00           H  
HETATM   76  H   UNL     1     -12.721   0.007  -0.522  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.915   2.602   1.443  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.751   3.010   0.159  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.462   3.472  -0.011  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.925   1.119   1.714  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.851   1.508   0.348  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.544   2.057   0.334  1.00  0.00           H  
CONECT    1   16    3    3    2                                       
CONECT    2    1   10   10   27                                       
CONECT    3   19    1    1    8                                       
CONECT    4    5   18   28   29                                       
CONECT    5   25   25    4   30                                       
CONECT    6   19   19                                                 
CONECT    7   16   16                                                 
CONECT    8    3    9    9   31                                       
CONECT    9    8    8   10   32                                       
CONECT   10    2    2    9   33                                       
CONECT   11   12   25   34   35                                       
CONECT   12   13   11   36   37                                       
CONECT   13   14   12   38   39                                       
CONECT   14   15   24   13   40                                       
CONECT   15   20   14   41   42                                       
CONECT   16   17    7    7    1                                       
CONECT   17   22   16   18   43                                       
CONECT   18    4   17   26   19                                       
CONECT   19   18    6    6    3                                       
CONECT   20   21   15   44   45                                       
CONECT   21   20   46   47   58                                       
CONECT   22   17   48   49   50                                       
CONECT   23   25   51   52   53                                       
CONECT   24   14   54   55   56                                       
CONECT   25   11   23    5    5                                       
CONECT   26   18   57                                                 
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   21   59   65   66                                       
CONECT   59   58   60   67   68                                       
CONECT   60   59   61   69   70                                       
CONECT   61   60   62   71   72                                       
CONECT   62   61   63   64   73                                       
CONECT   63   62   74   75   76                                       
CONECT   64   62   77   78   79                                       
CONECT   65   58   80   81   82                                       
CONECT   66   58                                                      
CONECT   67   59                                                      
CONECT   68   59                                                      
CONECT   69   60                                                      
CONECT   70   60                                                      
CONECT   71   61                                                      
CONECT   72   61                                                      
CONECT   73   62                                                      
CONECT   74   63                                                      
CONECT   75   63                                                      
CONECT   76   63                                                      
CONECT   77   64                                                      
CONECT   78   64                                                      
CONECT   79   64                                                      
CONECT   80   65                                                      
CONECT   81   65                                                      
CONECT   82   65                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
