COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.616  -1.917  -2.997  1.00  0.00           C  
HETATM    2  C   UNL     1       4.689  -3.044  -2.538  1.00  0.00           C  
HETATM    3  C   UNL     1       2.644  -3.463  -1.360  1.00  0.00           C  
HETATM    4  C   UNL     1       1.502  -2.759  -0.625  1.00  0.00           C  
HETATM    5  C   UNL     1       0.570  -3.805  -0.010  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.274  -4.045   1.502  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.375  -3.248   2.205  1.00  0.00           C  
HETATM    8  O   UNL     1       6.179  -1.268  -1.854  1.00  0.00           O  
HETATM    9  O   UNL     1       3.577  -2.489  -1.834  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.429  -3.151   0.775  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.238  -2.663   1.228  1.00  0.00           O  
HETATM   12  H   UNL     1       6.417  -2.332  -3.609  1.00  0.00           H  
HETATM   13  H   UNL     1       5.048  -1.194  -3.582  1.00  0.00           H  
HETATM   14  H   UNL     1       4.330  -3.595  -3.408  1.00  0.00           H  
HETATM   15  H   UNL     1       5.236  -3.720  -1.880  1.00  0.00           H  
HETATM   16  H   UNL     1       3.149  -4.147  -0.677  1.00  0.00           H  
HETATM   17  H   UNL     1       2.243  -4.022  -2.204  1.00  0.00           H  
HETATM   18  H   UNL     1       1.911  -2.129   0.165  1.00  0.00           H  
HETATM   19  H   UNL     1       0.090  -4.377  -0.806  1.00  0.00           H  
HETATM   20  H   UNL     1       1.147  -4.478   0.623  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.683  -4.581   2.244  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.727  -4.759   0.814  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.951  -3.913   2.848  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.923  -2.460   2.809  1.00  0.00           H  
HETATM   25  O   UNL     1       0.768  -1.951  -1.547  1.00  0.00           O  
HETATM   26  C   UNL     1       1.279  -0.624  -1.691  1.00  0.00           C  
HETATM   27  C   UNL     1       0.352   0.184  -2.601  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.919   0.343  -1.967  1.00  0.00           O  
HETATM   29  H   UNL     1       1.332  -0.147  -0.712  1.00  0.00           H  
HETATM   30  H   UNL     1       2.275  -0.663  -2.130  1.00  0.00           H  
HETATM   31  H   UNL     1       0.789   1.164  -2.788  1.00  0.00           H  
HETATM   32  H   UNL     1       0.222  -0.343  -3.547  1.00  0.00           H  
HETATM   33  C   UNL     1      -4.243  -1.809   1.778  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.187  -1.350   0.664  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.903  -2.477   0.154  1.00  0.00           O  
HETATM   36  H   UNL     1      -4.810  -2.353   2.533  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.771  -0.939   2.235  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.893  -0.622   1.063  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.608  -0.894  -0.138  1.00  0.00           H  
HETATM   40  C   UNL     1      -6.818  -2.156  -0.897  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.524  -3.430  -1.364  1.00  0.00           C  
HETATM   42  O   UNL     1      -8.333  -3.943  -0.303  1.00  0.00           O  
HETATM   43  H   UNL     1      -7.557  -1.444  -0.530  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.272  -1.716  -1.732  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.155  -3.201  -2.223  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.781  -4.175  -1.647  1.00  0.00           H  
HETATM   47  C   UNL     1      -9.040  -5.139  -0.637  1.00  0.00           C  
HETATM   48  C   UNL     1      -9.867  -5.595   0.567  1.00  0.00           C  
HETATM   49  O   UNL     1     -10.878  -4.623   0.846  1.00  0.00           O  
HETATM   50  H   UNL     1      -9.702  -4.946  -1.481  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.328  -5.919  -0.905  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.336  -6.553   0.343  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.217  -5.703   1.435  1.00  0.00           H  
HETATM   54  C   UNL     1     -11.711  -4.955   1.958  1.00  0.00           C  
HETATM   55  C   UNL     1     -12.750  -3.851   2.164  1.00  0.00           C  
HETATM   56  O   UNL     1     -13.626  -3.805   1.036  1.00  0.00           O  
HETATM   57  H   UNL     1     -12.218  -5.900   1.763  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.099  -5.049   2.855  1.00  0.00           H  
HETATM   59  H   UNL     1     -13.328  -4.059   3.064  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.245  -2.891   2.270  1.00  0.00           H  
HETATM   61  C   UNL     1     -14.640  -2.802   1.127  1.00  0.00           C  
HETATM   62  C   UNL     1     -15.514  -2.845  -0.128  1.00  0.00           C  
HETATM   63  O   UNL     1     -16.216  -4.089  -0.178  1.00  0.00           O  
HETATM   64  H   UNL     1     -15.257  -2.989   2.006  1.00  0.00           H  
HETATM   65  H   UNL     1     -14.173  -1.821   1.212  1.00  0.00           H  
HETATM   66  H   UNL     1     -16.231  -2.024  -0.100  1.00  0.00           H  
HETATM   67  H   UNL     1     -14.884  -2.747  -1.013  1.00  0.00           H  
HETATM   68  H   UNL     1     -16.791  -4.185  -0.949  1.00  0.00           H  
HETATM   69  C   UNL     1      -1.897   0.994  -2.780  1.00  0.00           C  
HETATM   70  C   UNL     1      -3.167   1.230  -1.960  1.00  0.00           C  
HETATM   71  O   UNL     1      -2.885   2.142  -0.897  1.00  0.00           O  
HETATM   72  H   UNL     1      -1.505   1.950  -3.125  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.132   0.366  -3.639  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.942   1.648  -2.602  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.512   0.283  -1.544  1.00  0.00           H  
HETATM   76  C   UNL     1      -4.034   2.520  -0.135  1.00  0.00           C  
HETATM   77  C   UNL     1      -3.599   3.395   1.042  1.00  0.00           C  
HETATM   78  O   UNL     1      -3.053   4.620   0.549  1.00  0.00           O  
HETATM   79  H   UNL     1      -4.722   3.079  -0.769  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.530   1.626   0.241  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.462   3.610   1.673  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.844   2.870   1.626  1.00  0.00           H  
HETATM   83  C   UNL     1      -2.614   5.515   1.573  1.00  0.00           C  
HETATM   84  C   UNL     1      -2.051   6.786   0.934  1.00  0.00           C  
HETATM   85  O   UNL     1      -3.097   7.478   0.249  1.00  0.00           O  
HETATM   86  C   UNL     1      -2.675   8.686  -0.387  1.00  0.00           C  
HETATM   87  C   UNL     1      -3.870   9.340  -1.084  1.00  0.00           C  
HETATM   88  O   UNL     1      -4.830   9.743  -0.105  1.00  0.00           O  
HETATM   89  H   UNL     1      -3.456   5.774   2.215  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.838   5.033   2.168  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.635   7.429   1.709  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.267   6.519   0.224  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.272   9.369   0.361  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.904   8.459  -1.123  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.532  10.212  -1.643  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.327   8.625  -1.768  1.00  0.00           H  
HETATM   97  C   UNL     1      -5.992  10.368  -0.654  1.00  0.00           C  
HETATM   98  C   UNL     1      -6.945  10.756   0.478  1.00  0.00           C  
HETATM   99  O   UNL     1      -6.331  11.753   1.297  1.00  0.00           O  
HETATM  100  H   UNL     1      -5.698  11.262  -1.204  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.493   9.675  -1.330  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.869  11.152   0.055  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.169   9.877   1.081  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.880  12.047   2.037  1.00  0.00           H  
HETATM  105  C   UNL     1       7.065  -0.194  -2.173  1.00  0.00           C  
HETATM  106  C   UNL     1       7.604   0.424  -0.881  1.00  0.00           C  
HETATM  107  O   UNL     1       8.407  -0.538  -0.193  1.00  0.00           O  
HETATM  108  C   UNL     1       8.962  -0.059   1.034  1.00  0.00           C  
HETATM  109  C   UNL     1       9.798  -1.165   1.681  1.00  0.00           C  
HETATM  110  O   UNL     1      10.921  -1.462   0.848  1.00  0.00           O  
HETATM  111  C   UNL     1      11.772  -2.488   1.364  1.00  0.00           C  
HETATM  112  C   UNL     1      12.934  -2.722   0.396  1.00  0.00           C  
HETATM  113  O   UNL     1      13.748  -1.549   0.338  1.00  0.00           O  
HETATM  114  C   UNL     1      14.868  -1.662  -0.543  1.00  0.00           C  
HETATM  115  C   UNL     1      15.664  -0.356  -0.525  1.00  0.00           C  
HETATM  116  O   UNL     1      16.224  -0.156   0.774  1.00  0.00           O  
HETATM  117  H   UNL     1       7.896  -0.573  -2.769  1.00  0.00           H  
HETATM  118  H   UNL     1       6.527   0.565  -2.741  1.00  0.00           H  
HETATM  119  H   UNL     1       8.209   1.298  -1.121  1.00  0.00           H  
HETATM  120  H   UNL     1       6.770   0.722  -0.246  1.00  0.00           H  
HETATM  121  H   UNL     1       9.596   0.805   0.834  1.00  0.00           H  
HETATM  122  H   UNL     1       8.157   0.229   1.709  1.00  0.00           H  
HETATM  123  H   UNL     1      10.149  -0.832   2.657  1.00  0.00           H  
HETATM  124  H   UNL     1       9.188  -2.060   1.799  1.00  0.00           H  
HETATM  125  H   UNL     1      12.163  -2.182   2.334  1.00  0.00           H  
HETATM  126  H   UNL     1      11.202  -3.411   1.476  1.00  0.00           H  
HETATM  127  H   UNL     1      13.533  -3.563   0.744  1.00  0.00           H  
HETATM  128  H   UNL     1      12.541  -2.941  -0.597  1.00  0.00           H  
HETATM  129  H   UNL     1      15.507  -2.481  -0.214  1.00  0.00           H  
HETATM  130  H   UNL     1      14.516  -1.859  -1.555  1.00  0.00           H  
HETATM  131  H   UNL     1      16.466  -0.409  -1.262  1.00  0.00           H  
HETATM  132  H   UNL     1      15.003   0.476  -0.767  1.00  0.00           H  
HETATM  133  C   UNL     1      16.992   1.043   0.899  1.00  0.00           C  
HETATM  134  C   UNL     1      17.539   1.152   2.323  1.00  0.00           C  
HETATM  135  O   UNL     1      18.461   0.086   2.563  1.00  0.00           O  
HETATM  136  H   UNL     1      17.821   1.018   0.192  1.00  0.00           H  
HETATM  137  H   UNL     1      16.358   1.904   0.686  1.00  0.00           H  
HETATM  138  H   UNL     1      18.049   2.108   2.444  1.00  0.00           H  
HETATM  139  H   UNL     1      16.716   1.087   3.035  1.00  0.00           H  
HETATM  140  H   UNL     1      18.848   0.093   3.449  1.00  0.00           H  
CONECT    1    8    2   12   13                                       
CONECT    2    1    9   14   15                                       
CONECT    3    9    4   16   17                                       
CONECT    4    3    5   18   25                                       
CONECT    5    4   10   19   20                                       
CONECT    6   10    7   21   22                                       
CONECT    7    6   11   23   24                                       
CONECT    8    1  105                                                 
CONECT    9    2    3                                                 
CONECT   10    5    6                                                 
CONECT   11    7   33                                                 
CONECT   12    1                                                      
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    4   26                                                 
CONECT   26   25   27   29   30                                       
CONECT   27   26   28   31   32                                       
CONECT   28   27   69                                                 
CONECT   29   26                                                      
CONECT   30   26                                                      
CONECT   31   27                                                      
CONECT   32   27                                                      
CONECT   33   11   34   36   37                                       
CONECT   34   33   35   38   39                                       
CONECT   35   34   40                                                 
CONECT   36   33                                                      
CONECT   37   33                                                      
CONECT   38   34                                                      
CONECT   39   34                                                      
CONECT   40   35   41   43   44                                       
CONECT   41   40   42   45   46                                       
CONECT   42   41   47                                                 
CONECT   43   40                                                      
CONECT   44   40                                                      
CONECT   45   41                                                      
CONECT   46   41                                                      
CONECT   47   42   48   50   51                                       
CONECT   48   47   49   52   53                                       
CONECT   49   48   54                                                 
CONECT   50   47                                                      
CONECT   51   47                                                      
CONECT   52   48                                                      
CONECT   53   48                                                      
CONECT   54   49   55   57   58                                       
CONECT   55   54   56   59   60                                       
CONECT   56   55   61                                                 
CONECT   57   54                                                      
CONECT   58   54                                                      
CONECT   59   55                                                      
CONECT   60   55                                                      
CONECT   61   56   62   64   65                                       
CONECT   62   61   63   66   67                                       
CONECT   63   62   68                                                 
CONECT   64   61                                                      
CONECT   65   61                                                      
CONECT   66   62                                                      
CONECT   67   62                                                      
CONECT   68   63                                                      
CONECT   69   28   70   72   73                                       
CONECT   70   69   71   74   75                                       
CONECT   71   70   76                                                 
CONECT   72   69                                                      
CONECT   73   69                                                      
CONECT   74   70                                                      
CONECT   75   70                                                      
CONECT   76   71   77   79   80                                       
CONECT   77   76   78   81   82                                       
CONECT   78   77   83                                                 
CONECT   79   76                                                      
CONECT   80   76                                                      
CONECT   81   77                                                      
CONECT   82   77                                                      
CONECT   83   78   84   89   90                                       
CONECT   84   83   85   91   92                                       
CONECT   85   84   86                                                 
CONECT   86   85   87   93   94                                       
CONECT   87   86   88   95   96                                       
CONECT   88   87   97                                                 
CONECT   89   83                                                      
CONECT   90   83                                                      
CONECT   91   84                                                      
CONECT   92   84                                                      
CONECT   93   86                                                      
CONECT   94   86                                                      
CONECT   95   87                                                      
CONECT   96   87                                                      
CONECT   97   88   98  100  101                                       
CONECT   98   97   99  102  103                                       
CONECT   99   98  104                                                 
CONECT  100   97                                                      
CONECT  101   97                                                      
CONECT  102   98                                                      
CONECT  103   98                                                      
CONECT  104   99                                                      
CONECT  105    8  106  117  118                                       
CONECT  106  105  107  119  120                                       
CONECT  107  106  108                                                 
CONECT  108  107  109  121  122                                       
CONECT  109  108  110  123  124                                       
CONECT  110  109  111                                                 
CONECT  111  110  112  125  126                                       
CONECT  112  111  113  127  128                                       
CONECT  113  112  114                                                 
CONECT  114  113  115  129  130                                       
CONECT  115  114  116  131  132                                       
CONECT  116  115  133                                                 
CONECT  117  105                                                      
CONECT  118  105                                                      
CONECT  119  106                                                      
CONECT  120  106                                                      
CONECT  121  108                                                      
CONECT  122  108                                                      
CONECT  123  109                                                      
CONECT  124  109                                                      
CONECT  125  111                                                      
CONECT  126  111                                                      
CONECT  127  112                                                      
CONECT  128  112                                                      
CONECT  129  114                                                      
CONECT  130  114                                                      
CONECT  131  115                                                      
CONECT  132  115                                                      
CONECT  133  116  134  136  137                                       
CONECT  134  133  135  138  139                                       
CONECT  135  134  140                                                 
CONECT  136  133                                                      
CONECT  137  133                                                      
CONECT  138  134                                                      
CONECT  139  134                                                      
CONECT  140  135                                                      
MASTER        0    0    0    0    0    0    0    0  140    0  140    0
END
