COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.026  -2.640  -0.296  1.00  0.00           C  
HETATM    2  C   UNL     1       0.500  -2.422   0.835  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.168  -1.655  -0.738  1.00  0.00           C  
HETATM    4  C   UNL     1       2.310  -0.869  -1.336  1.00  0.00           C  
HETATM    5  C   UNL     1       5.777  -1.820   0.044  1.00  0.00           C  
HETATM    6  C   UNL     1       7.078  -2.204  -0.663  1.00  0.00           C  
HETATM    7  C   UNL     1       8.160  -2.487   0.380  1.00  0.00           C  
HETATM    8  C   UNL     1       9.493  -2.750  -0.325  1.00  0.00           C  
HETATM    9  C   UNL     1       0.725   0.812  -0.443  1.00  0.00           C  
HETATM   10  C   UNL     1       1.308   3.123  -0.694  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.576  -0.702  -0.323  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.163  -0.472   0.218  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.113  -0.865   1.696  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.170  -1.328  -0.570  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.777  -1.194   0.050  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.784  -2.049  -0.739  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.391  -1.916  -0.119  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.397  -2.771  -0.907  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.629  -3.511   0.703  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.370  -3.402   1.267  1.00  0.00           C  
HETATM   21  C   UNL     1       0.106  -1.538  -0.174  1.00  0.00           C  
HETATM   22  C   UNL     1       1.028  -0.490  -0.640  1.00  0.00           C  
HETATM   23  C   UNL     1       3.392  -1.152  -0.293  1.00  0.00           C  
HETATM   24  C   UNL     1       4.694  -1.536  -0.999  1.00  0.00           C  
HETATM   25  C   UNL     1       8.304  -1.279   1.308  1.00  0.00           C  
HETATM   26  C   UNL     1       1.611   1.819  -0.891  1.00  0.00           C  
HETATM   27  C   UNL     1       2.231   4.232  -1.158  1.00  0.00           C  
HETATM   28  C   UNL     1       2.386   5.241  -0.015  1.00  0.00           C  
HETATM   29  C   UNL     1       1.014   5.778   0.392  1.00  0.00           C  
HETATM   30  C   UNL     1       0.176   4.650   1.003  1.00  0.00           C  
HETATM   31  C   UNL     1       0.060   3.534  -0.022  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.108   2.952  -0.299  1.00  0.00           C  
HETATM   33  O   UNL     1      -8.819   0.908   0.080  1.00  0.00           O  
HETATM   34  O   UNL     1       7.794  -3.636   1.148  1.00  0.00           O  
HETATM   35  O   UNL     1       3.211   6.325  -0.448  1.00  0.00           O  
HETATM   36  O   UNL     1       0.814   4.162   2.184  1.00  0.00           O  
HETATM   37  H   UNL     1       1.482  -2.339   1.276  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.479  -0.976  -1.518  1.00  0.00           H  
HETATM   39  H   UNL     1       2.145  -1.761  -1.940  1.00  0.00           H  
HETATM   40  H   UNL     1       2.630  -0.048  -1.979  1.00  0.00           H  
HETATM   41  H   UNL     1       5.456  -2.640   0.686  1.00  0.00           H  
HETATM   42  H   UNL     1       5.941  -0.928   0.648  1.00  0.00           H  
HETATM   43  H   UNL     1       6.913  -3.096  -1.268  1.00  0.00           H  
HETATM   44  H   UNL     1       7.398  -1.384  -1.306  1.00  0.00           H  
HETATM   45  H   UNL     1       9.390  -3.611  -0.986  1.00  0.00           H  
HETATM   46  H   UNL     1       9.772  -1.874  -0.911  1.00  0.00           H  
HETATM   47  H   UNL     1      10.264  -2.951   0.418  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.193   1.083   0.056  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.611  -0.423  -1.376  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.839  -1.755  -0.218  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.284  -0.093   0.238  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.376  -1.917   1.802  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.107  -0.701   2.082  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.821  -0.255   2.258  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.483  -2.371  -0.538  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.140  -0.989  -1.606  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.464  -0.151   0.018  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.807  -1.533   1.085  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.097  -3.093  -0.707  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.754  -1.711  -1.774  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.078  -0.872  -0.151  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.421  -2.255   0.917  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.368  -2.432  -1.943  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.711  -3.815  -0.875  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.306  -4.280   1.045  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.067  -4.086   2.046  1.00  0.00           H  
HETATM   67  H   UNL     1       3.557  -0.260   0.312  1.00  0.00           H  
HETATM   68  H   UNL     1       3.072  -1.972   0.350  1.00  0.00           H  
HETATM   69  H   UNL     1       5.014  -0.716  -1.642  1.00  0.00           H  
HETATM   70  H   UNL     1       4.529  -2.428  -1.604  1.00  0.00           H  
HETATM   71  H   UNL     1       9.075  -1.481   2.051  1.00  0.00           H  
HETATM   72  H   UNL     1       8.584  -0.403   0.722  1.00  0.00           H  
HETATM   73  H   UNL     1       7.355  -1.092   1.810  1.00  0.00           H  
HETATM   74  H   UNL     1       2.530   1.548  -1.390  1.00  0.00           H  
HETATM   75  H   UNL     1       3.204   3.816  -1.416  1.00  0.00           H  
HETATM   76  H   UNL     1       1.800   4.727  -2.029  1.00  0.00           H  
HETATM   77  H   UNL     1       2.851   4.751   0.840  1.00  0.00           H  
HETATM   78  H   UNL     1       1.140   6.574   1.126  1.00  0.00           H  
HETATM   79  H   UNL     1       0.504   6.174  -0.487  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.818   5.024   1.250  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.156   2.159  -1.031  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.006   3.273   0.208  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.408   1.510   0.555  1.00  0.00           H  
HETATM   84  H   UNL     1       7.685  -4.441   0.623  1.00  0.00           H  
HETATM   85  H   UNL     1       4.101   6.058  -0.717  1.00  0.00           H  
HETATM   86  H   UNL     1       0.335   3.445   2.622  1.00  0.00           H  
CONECT    1   18    3    3   19                                       
CONECT    2   21   21   20   37                                       
CONECT    3    1    1   21   38                                       
CONECT    4   23   22   39   40                                       
CONECT    5   24    6   41   42                                       
CONECT    6    7    5   43   44                                       
CONECT    7    8   25   34    6                                       
CONECT    8    7   45   46   47                                       
CONECT    9   26   22   22   48                                       
CONECT   10   31   27   26   26                                       
CONECT   11   12   49   50   51                                       
CONECT   12   13   11   33   14                                       
CONECT   13   12   52   53   54                                       
CONECT   14   12   15   55   56                                       
CONECT   15   14   16   57   58                                       
CONECT   16   15   17   59   60                                       
CONECT   17   16   18   61   62                                       
CONECT   18   17    1   63   64                                       
CONECT   19    1   20   20   65                                       
CONECT   20   19   19    2   66                                       
CONECT   21    3   22    2    2                                       
CONECT   22    4    9    9   21                                       
CONECT   23   24    4   67   68                                       
CONECT   24    5   23   69   70                                       
CONECT   25    7   71   72   73                                       
CONECT   26   10   10    9   74                                       
CONECT   27   10   28   75   76                                       
CONECT   28   29   27   35   77                                       
CONECT   29   28   30   78   79                                       
CONECT   30   29   31   36   80                                       
CONECT   31   32   32   10   30                                       
CONECT   32   31   31   81   82                                       
CONECT   33   12   83                                                 
CONECT   34    7   84                                                 
CONECT   35   28   85                                                 
CONECT   36   30   86                                                 
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   32                                                      
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
