COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.010  -0.859  14.783  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.938   0.100  13.727  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.841  -0.335  12.710  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.386  -1.693  12.170  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.247  -0.466  13.299  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.859   0.686  11.571  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.474   0.815  10.991  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.260   0.532   9.702  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.958   0.654   9.156  1.00  0.00           C  
HETATM   10  C   UNL     1       0.185   1.101  10.029  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.741   0.367   7.845  1.00  0.00           C  
HETATM   12  C   UNL     1       0.568   0.364   7.334  1.00  0.00           C  
HETATM   13  C   UNL     1       0.779   0.180   5.998  1.00  0.00           C  
HETATM   14  C   UNL     1       2.084   0.178   5.488  1.00  0.00           C  
HETATM   15  C   UNL     1       3.256   0.377   6.415  1.00  0.00           C  
HETATM   16  C   UNL     1       2.297  -0.006   4.140  1.00  0.00           C  
HETATM   17  C   UNL     1       3.603  -0.069   3.640  1.00  0.00           C  
HETATM   18  C   UNL     1       3.816  -0.150   2.281  1.00  0.00           C  
HETATM   19  C   UNL     1       5.122  -0.212   1.780  1.00  0.00           C  
HETATM   20  C   UNL     1       6.294  -0.191   2.727  1.00  0.00           C  
HETATM   21  C   UNL     1       5.335  -0.294   0.421  1.00  0.00           C  
HETATM   22  C   UNL     1       4.247  -0.314  -0.458  1.00  0.00           C  
HETATM   23  C   UNL     1       4.460  -0.395  -1.816  1.00  0.00           C  
HETATM   24  C   UNL     1       3.370  -0.415  -2.697  1.00  0.00           C  
HETATM   25  C   UNL     1       3.582  -0.495  -4.043  1.00  0.00           C  
HETATM   26  C   UNL     1       4.987  -0.563  -4.582  1.00  0.00           C  
HETATM   27  C   UNL     1       2.488  -0.516  -4.926  1.00  0.00           C  
HETATM   28  C   UNL     1       2.699  -0.488  -6.268  1.00  0.00           C  
HETATM   29  C   UNL     1       1.599  -0.385  -7.156  1.00  0.00           C  
HETATM   30  C   UNL     1       1.810  -0.258  -8.470  1.00  0.00           C  
HETATM   31  C   UNL     1       3.210  -0.071  -8.994  1.00  0.00           C  
HETATM   32  C   UNL     1       0.647  -0.303  -9.428  1.00  0.00           C  
HETATM   33  C   UNL     1       0.105   1.111  -9.638  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.057   1.066 -10.596  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.193   1.635 -10.275  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.283   2.492  -9.038  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.409   1.432 -11.141  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.181   0.203 -10.656  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.397   0.000 -11.523  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.505  -1.079 -12.256  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.798  -1.377 -12.972  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.338  -2.023 -12.385  1.00  0.00           C  
HETATM   43  H   UNL     1      -2.671  -1.828  14.417  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.374  -0.540  15.609  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.040  -0.942  15.129  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.321  -1.653  11.940  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.567  -2.461  12.921  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.945  -1.930  11.265  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.514   0.457  13.812  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.961  -0.655  12.497  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.269  -1.294  14.007  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.548   0.353  10.795  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.183   1.653  11.955  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.654   1.135  11.616  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.080   0.212   9.076  1.00  0.00           H  
HETATM   56  H   UNL     1       0.679   0.228  10.457  1.00  0.00           H  
HETATM   57  H   UNL     1       0.900   1.666   9.430  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.194   1.733  10.831  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.574   0.141   7.197  1.00  0.00           H  
HETATM   60  H   UNL     1       1.407   0.507   7.998  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.060   0.038   5.334  1.00  0.00           H  
HETATM   62  H   UNL     1       3.460   1.443   6.518  1.00  0.00           H  
HETATM   63  H   UNL     1       3.021  -0.043   7.393  1.00  0.00           H  
HETATM   64  H   UNL     1       4.133  -0.123   6.005  1.00  0.00           H  
HETATM   65  H   UNL     1       1.456  -0.103   3.469  1.00  0.00           H  
HETATM   66  H   UNL     1       4.443  -0.053   4.318  1.00  0.00           H  
HETATM   67  H   UNL     1       2.976  -0.166   1.602  1.00  0.00           H  
HETATM   68  H   UNL     1       7.222  -0.247   2.158  1.00  0.00           H  
HETATM   69  H   UNL     1       6.277   0.733   3.305  1.00  0.00           H  
HETATM   70  H   UNL     1       6.230  -1.043   3.404  1.00  0.00           H  
HETATM   71  H   UNL     1       6.343  -0.342   0.035  1.00  0.00           H  
HETATM   72  H   UNL     1       3.239  -0.266  -0.071  1.00  0.00           H  
HETATM   73  H   UNL     1       5.468  -0.443  -2.202  1.00  0.00           H  
HETATM   74  H   UNL     1       2.363  -0.367  -2.310  1.00  0.00           H  
HETATM   75  H   UNL     1       4.961  -0.529  -5.671  1.00  0.00           H  
HETATM   76  H   UNL     1       5.561   0.284  -4.206  1.00  0.00           H  
HETATM   77  H   UNL     1       5.457  -1.492  -4.258  1.00  0.00           H  
HETATM   78  H   UNL     1       1.481  -0.553  -4.538  1.00  0.00           H  
HETATM   79  H   UNL     1       3.704  -0.544  -6.659  1.00  0.00           H  
HETATM   80  H   UNL     1       0.590  -0.408  -6.771  1.00  0.00           H  
HETATM   81  H   UNL     1       3.902   0.018  -8.156  1.00  0.00           H  
HETATM   82  H   UNL     1       3.488  -0.931  -9.604  1.00  0.00           H  
HETATM   83  H   UNL     1       3.254   0.833  -9.600  1.00  0.00           H  
HETATM   84  H   UNL     1       0.978  -0.711 -10.383  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.138  -0.936  -9.016  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.226   1.519  -8.683  1.00  0.00           H  
HETATM   87  H   UNL     1       0.891   1.744 -10.050  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.954   0.565 -11.547  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.291   2.602  -8.600  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.673   3.474  -9.305  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.949   2.020  -8.317  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.050   2.311 -11.080  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.097   1.280 -12.175  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.540  -0.676 -10.718  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.492   0.354  -9.623  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.179   0.744 -11.538  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.699  -2.310 -13.527  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.603  -1.472 -12.243  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.027  -0.566 -13.662  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.465  -1.590 -11.896  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.585  -2.974 -11.912  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.119  -2.188 -13.440  1.00  0.00           H  
CONECT    1    2   43   44   45                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    5    6                                       
CONECT    4    3   46   47   48                                       
CONECT    5    3   49   50   51                                       
CONECT    6    3    7   52   53                                       
CONECT    7    6    8    8   54                                       
CONECT    8    7    7    9   55                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   56   57   58                                       
CONECT   11    9    9   12   59                                       
CONECT   12   11   13   13   60                                       
CONECT   13   12   12   14   61                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14   62   63   64                                       
CONECT   16   14   14   17   65                                       
CONECT   17   16   18   18   66                                       
CONECT   18   17   17   19   67                                       
CONECT   19   18   20   21   21                                       
CONECT   20   19   68   69   70                                       
CONECT   21   19   19   22   71                                       
CONECT   22   21   23   23   72                                       
CONECT   23   22   22   24   73                                       
CONECT   24   23   25   25   74                                       
CONECT   25   24   24   26   27                                       
CONECT   26   25   75   76   77                                       
CONECT   27   25   28   28   78                                       
CONECT   28   27   27   29   79                                       
CONECT   29   28   30   30   80                                       
CONECT   30   29   29   31   32                                       
CONECT   31   30   81   82   83                                       
CONECT   32   30   33   84   85                                       
CONECT   33   32   34   86   87                                       
CONECT   34   33   35   35   88                                       
CONECT   35   34   34   36   37                                       
CONECT   36   35   89   90   91                                       
CONECT   37   35   38   92   93                                       
CONECT   38   37   39   94   95                                       
CONECT   39   38   40   40   96                                       
CONECT   40   39   39   41   42                                       
CONECT   41   40   97   98   99                                       
CONECT   42   40  100  101  102                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   37                                                      
CONECT   94   38                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   41                                                      
CONECT   98   41                                                      
CONECT   99   41                                                      
CONECT  100   42                                                      
CONECT  101   42                                                      
CONECT  102   42                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
