COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.802   2.500 -13.851  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.558   1.242 -13.218  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.654   1.006 -12.332  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.702   2.109 -11.274  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.961   1.005 -13.127  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.474  -0.350 -11.647  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.166  -0.349 -10.852  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.986  -1.705 -10.167  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.698  -1.705  -9.384  1.00  0.00           C  
HETATM   10  C   UNL     1       0.583  -2.149 -10.041  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.693  -1.311  -8.107  1.00  0.00           C  
HETATM   12  C   UNL     1       0.532  -1.203  -7.403  1.00  0.00           C  
HETATM   13  C   UNL     1       0.531  -0.904  -6.078  1.00  0.00           C  
HETATM   14  C   UNL     1       1.747  -0.797  -5.380  1.00  0.00           C  
HETATM   15  C   UNL     1       3.052  -1.016  -6.102  1.00  0.00           C  
HETATM   16  C   UNL     1       1.745  -0.496  -4.049  1.00  0.00           C  
HETATM   17  C   UNL     1       2.957  -0.267  -3.381  1.00  0.00           C  
HETATM   18  C   UNL     1       2.965  -0.072  -2.018  1.00  0.00           C  
HETATM   19  C   UNL     1       4.175   0.156  -1.351  1.00  0.00           C  
HETATM   20  C   UNL     1       5.468   0.188  -2.124  1.00  0.00           C  
HETATM   21  C   UNL     1       4.183   0.352   0.011  1.00  0.00           C  
HETATM   22  C   UNL     1       5.400   0.448   0.698  1.00  0.00           C  
HETATM   23  C   UNL     1       5.410   0.538   2.071  1.00  0.00           C  
HETATM   24  C   UNL     1       4.202   0.534   2.783  1.00  0.00           C  
HETATM   25  C   UNL     1       4.212   0.624   4.145  1.00  0.00           C  
HETATM   26  C   UNL     1       5.521   0.727   4.883  1.00  0.00           C  
HETATM   27  C   UNL     1       3.001   0.621   4.858  1.00  0.00           C  
HETATM   28  C   UNL     1       3.013   0.604   6.217  1.00  0.00           C  
HETATM   29  C   UNL     1       1.799   0.733   6.938  1.00  0.00           C  
HETATM   30  C   UNL     1       1.820   0.820   8.272  1.00  0.00           C  
HETATM   31  C   UNL     1       3.135   0.941   8.998  1.00  0.00           C  
HETATM   32  C   UNL     1       0.529   0.799   9.049  1.00  0.00           C  
HETATM   33  C   UNL     1       0.172  -0.645   9.405  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.118  -0.667  10.182  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.167  -1.278   9.691  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.144  -1.797   8.277  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.398  -1.462  10.541  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.329  -0.262  10.358  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.560  -0.446  11.208  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.822   0.400  12.173  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.140   0.329  12.900  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.806   1.445  12.555  1.00  0.00           C  
HETATM   43  H   UNL     1      -2.006   2.708 -14.565  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.758   2.465 -14.372  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.828   3.287 -13.097  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.709   2.245 -10.845  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.029   3.041 -11.735  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.401   1.828 -10.487  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.876   0.316 -13.967  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.780   0.690 -12.481  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.160   2.010 -13.501  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.310  -0.530 -10.972  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.440  -1.136 -12.401  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.330  -0.169 -11.528  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.200   0.436 -10.098  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.822  -1.886  -9.492  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.952  -2.492 -10.921  1.00  0.00           H  
HETATM   58  H   UNL     1       0.951  -3.048  -9.547  1.00  0.00           H  
HETATM   59  H   UNL     1       0.397  -2.362 -11.093  1.00  0.00           H  
HETATM   60  H   UNL     1       1.327  -1.357  -9.957  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.623  -1.074  -7.611  1.00  0.00           H  
HETATM   62  H   UNL     1       1.467  -1.360  -7.921  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.403  -0.747  -5.561  1.00  0.00           H  
HETATM   64  H   UNL     1       2.893  -1.689  -6.944  1.00  0.00           H  
HETATM   65  H   UNL     1       3.429  -0.061  -6.466  1.00  0.00           H  
HETATM   66  H   UNL     1       3.776  -1.456  -5.417  1.00  0.00           H  
HETATM   67  H   UNL     1       0.811  -0.434  -3.510  1.00  0.00           H  
HETATM   68  H   UNL     1       3.883  -0.245  -3.935  1.00  0.00           H  
HETATM   69  H   UNL     1       2.038  -0.095  -1.464  1.00  0.00           H  
HETATM   70  H   UNL     1       5.288   0.603  -3.116  1.00  0.00           H  
HETATM   71  H   UNL     1       6.191   0.809  -1.597  1.00  0.00           H  
HETATM   72  H   UNL     1       5.859  -0.824  -2.220  1.00  0.00           H  
HETATM   73  H   UNL     1       3.251   0.431   0.551  1.00  0.00           H  
HETATM   74  H   UNL     1       6.330   0.450   0.150  1.00  0.00           H  
HETATM   75  H   UNL     1       6.349   0.612   2.601  1.00  0.00           H  
HETATM   76  H   UNL     1       3.264   0.461   2.254  1.00  0.00           H  
HETATM   77  H   UNL     1       5.329   0.881   5.945  1.00  0.00           H  
HETATM   78  H   UNL     1       6.089  -0.192   4.747  1.00  0.00           H  
HETATM   79  H   UNL     1       6.094   1.569   4.492  1.00  0.00           H  
HETATM   80  H   UNL     1       2.061   0.632   4.327  1.00  0.00           H  
HETATM   81  H   UNL     1       3.947   0.491   6.747  1.00  0.00           H  
HETATM   82  H   UNL     1       0.857   0.761   6.410  1.00  0.00           H  
HETATM   83  H   UNL     1       3.953   0.871   8.282  1.00  0.00           H  
HETATM   84  H   UNL     1       3.180   1.902   9.510  1.00  0.00           H  
HETATM   85  H   UNL     1       3.222   0.136   9.728  1.00  0.00           H  
HETATM   86  H   UNL     1       0.646   1.380   9.963  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.266   1.231   8.443  1.00  0.00           H  
HETATM   88  H   UNL     1       0.056  -1.226   8.490  1.00  0.00           H  
HETATM   89  H   UNL     1       0.969  -1.077  10.011  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.178  -0.179  11.143  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.223  -1.480   7.788  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.193  -2.886   8.288  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.000  -1.401   7.730  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.915  -2.373  10.240  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.108  -1.539  11.589  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.812   0.648  10.660  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.620  -0.184   9.310  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.225  -1.275  11.022  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.176   1.106  13.663  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.954   0.477  12.192  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.242  -0.648  13.372  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.883   1.274  12.000  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.195   2.435  12.317  1.00  0.00           H  
HETATM  104  H   UNL     1      -4.604   1.381  13.624  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   54   55                                       
CONECT    8    7    9   56   57                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   58   59   60                                       
CONECT   11    9    9   12   61                                       
CONECT   12   11   13   13   62                                       
CONECT   13   12   12   14   63                                       
CONECT   14   13   15   16   16                                       
CONECT   15   14   64   65   66                                       
CONECT   16   14   14   17   67                                       
CONECT   17   16   18   18   68                                       
CONECT   18   17   17   19   69                                       
CONECT   19   18   20   21   21                                       
CONECT   20   19   70   71   72                                       
CONECT   21   19   19   22   73                                       
CONECT   22   21   23   23   74                                       
CONECT   23   22   22   24   75                                       
CONECT   24   23   25   25   76                                       
CONECT   25   24   24   26   27                                       
CONECT   26   25   77   78   79                                       
CONECT   27   25   28   28   80                                       
CONECT   28   27   27   29   81                                       
CONECT   29   28   30   30   82                                       
CONECT   30   29   29   31   32                                       
CONECT   31   30   83   84   85                                       
CONECT   32   30   33   86   87                                       
CONECT   33   32   34   88   89                                       
CONECT   34   33   35   35   90                                       
CONECT   35   34   34   36   37                                       
CONECT   36   35   91   92   93                                       
CONECT   37   35   38   94   95                                       
CONECT   38   37   39   96   97                                       
CONECT   39   38   40   40   98                                       
CONECT   40   39   39   41   42                                       
CONECT   41   40   99  100  101                                       
CONECT   42   40  102  103  104                                       
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    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   38                                                      
CONECT   98   39                                                      
CONECT   99   41                                                      
CONECT  100   41                                                      
CONECT  101   41                                                      
CONECT  102   42                                                      
CONECT  103   42                                                      
CONECT  104   42                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
