COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -12.699  -3.134   0.468  1.00  0.00           C  
HETATM    2  C   UNL     1     -13.847  -2.390   1.157  1.00  0.00           C  
HETATM    3  O   UNL     1     -14.747  -3.334   1.740  1.00  0.00           O  
HETATM    4  C   UNL     1     -14.591  -1.546   0.117  1.00  0.00           C  
HETATM    5  O   UNL     1     -15.172  -2.404  -0.866  1.00  0.00           O  
HETATM    6  C   UNL     1     -13.601  -0.592  -0.556  1.00  0.00           C  
HETATM    7  C   UNL     1     -14.325   0.213  -1.638  1.00  0.00           C  
HETATM    8  O   UNL     1     -12.543  -1.346  -1.151  1.00  0.00           O  
HETATM    9  C   UNL     1     -11.783  -2.118  -0.219  1.00  0.00           C  
HETATM   10  O   UNL     1     -11.210  -1.252   0.762  1.00  0.00           O  
HETATM   11  C   UNL     1     -10.098  -0.490   0.288  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.830  -1.349   0.338  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.903   0.741   1.178  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.133   1.645   1.077  1.00  0.00           C  
HETATM   15  C   UNL     1     -11.307   2.110  -0.370  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.663   1.507   0.711  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.426   2.706   1.633  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.526   0.643   0.752  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.632  -0.502  -0.097  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.814  -0.076  -1.449  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.353  -1.335   0.007  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.414  -2.491  -0.993  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.143  -0.453  -0.306  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.264   0.069  -1.630  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.864  -1.286  -0.201  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.734  -1.846   1.217  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.653  -0.405  -0.514  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.390  -1.264  -0.532  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.452  -2.234  -1.714  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.174  -0.385  -0.669  1.00  0.00           C  
HETATM   31  C   UNL     1       0.958  -0.893  -1.161  1.00  0.00           C  
HETATM   32  C   UNL     1       2.150  -0.051  -1.271  1.00  0.00           C  
HETATM   33  C   UNL     1       2.083   1.260  -0.944  1.00  0.00           C  
HETATM   34  C   UNL     1       3.236   2.079  -1.044  1.00  0.00           C  
HETATM   35  O   UNL     1       3.155   3.397  -0.766  1.00  0.00           O  
HETATM   36  O   UNL     1       4.299   1.593  -1.380  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.537   0.611   0.482  1.00  0.00           O  
HETATM   38  C   UNL     1      -2.800   1.876   0.093  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.905   2.160  -0.331  1.00  0.00           O  
HETATM   40  C   UNL     1      -1.799   2.876   0.176  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.623   2.612   0.789  1.00  0.00           C  
HETATM   42  C   UNL     1       0.450   3.608   0.792  1.00  0.00           C  
HETATM   43  C   UNL     1       1.578   3.378   1.467  1.00  0.00           C  
HETATM   44  C   UNL     1       2.707   4.379   1.396  1.00  0.00           C  
HETATM   45  C   UNL     1       2.172   5.718   0.884  1.00  0.00           C  
HETATM   46  C   UNL     1       3.778   3.854   0.435  1.00  0.00           C  
HETATM   47  C   UNL     1       4.528   2.694   1.092  1.00  0.00           C  
HETATM   48  C   UNL     1       3.667   1.431   1.034  1.00  0.00           C  
HETATM   49  C   UNL     1       5.842   2.449   0.347  1.00  0.00           C  
HETATM   50  O   UNL     1       6.726   3.552   0.565  1.00  0.00           O  
HETATM   51  C   UNL     1       6.492   1.165   0.867  1.00  0.00           C  
HETATM   52  C   UNL     1       6.773   1.306   2.364  1.00  0.00           C  
HETATM   53  C   UNL     1       7.806   0.921   0.122  1.00  0.00           C  
HETATM   54  C   UNL     1       8.392  -0.427   0.551  1.00  0.00           C  
HETATM   55  O   UNL     1       8.731   1.964   0.433  1.00  0.00           O  
HETATM   56  O   UNL     1       7.560   0.905  -1.286  1.00  0.00           O  
HETATM   57  C   UNL     1       8.731   0.709  -2.080  1.00  0.00           C  
HETATM   58  C   UNL     1       8.353   0.739  -3.563  1.00  0.00           C  
HETATM   59  C   UNL     1       9.355  -0.647  -1.740  1.00  0.00           C  
HETATM   60  C   UNL     1      10.642  -0.834  -2.546  1.00  0.00           C  
HETATM   61  C   UNL     1      11.611   0.307  -2.231  1.00  0.00           C  
HETATM   62  C   UNL     1       9.675  -0.692  -0.243  1.00  0.00           C  
HETATM   63  O   UNL     1      10.190  -1.981   0.097  1.00  0.00           O  
HETATM   64  C   UNL     1      10.948  -2.002   1.309  1.00  0.00           C  
HETATM   65  C   UNL     1      11.108  -3.449   1.785  1.00  0.00           C  
HETATM   66  O   UNL     1      12.238  -1.434   1.074  1.00  0.00           O  
HETATM   67  C   UNL     1      12.997  -2.104   0.066  1.00  0.00           C  
HETATM   68  C   UNL     1      14.340  -1.394  -0.119  1.00  0.00           C  
HETATM   69  C   UNL     1      13.240  -3.554   0.492  1.00  0.00           C  
HETATM   70  O   UNL     1      14.008  -3.576   1.696  1.00  0.00           O  
HETATM   71  C   UNL     1      11.891  -4.240   0.733  1.00  0.00           C  
HETATM   72  O   UNL     1      12.109  -5.573   1.202  1.00  0.00           O  
HETATM   73  H   UNL     1     -12.130  -3.694   1.211  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.104  -3.821  -0.274  1.00  0.00           H  
HETATM   75  H   UNL     1     -13.445  -1.741   1.936  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.341  -3.908   2.403  1.00  0.00           H  
HETATM   77  H   UNL     1     -15.375  -0.971   0.609  1.00  0.00           H  
HETATM   78  H   UNL     1     -15.660  -1.936  -1.558  1.00  0.00           H  
HETATM   79  H   UNL     1     -13.188   0.089   0.188  1.00  0.00           H  
HETATM   80  H   UNL     1     -15.132   0.788  -1.185  1.00  0.00           H  
HETATM   81  H   UNL     1     -13.620   0.892  -2.118  1.00  0.00           H  
HETATM   82  H   UNL     1     -14.737  -0.468  -2.383  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.988  -2.645  -0.747  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.284  -0.174  -0.738  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.673  -1.707   1.355  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.940  -2.199  -0.335  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.767   0.424   2.213  1.00  0.00           H  
HETATM   88  H   UNL     1     -12.018   1.091   1.390  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.000   2.512   1.724  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.363   1.241  -1.026  1.00  0.00           H  
HETATM   91  H   UNL     1     -12.225   2.691  -0.457  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.456   2.728  -0.658  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.816   1.858  -0.310  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.585   3.290   1.260  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.320   3.329   1.655  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.205   2.352   2.639  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.608   0.458  -1.590  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.261  -1.734   1.018  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.507  -2.092  -2.004  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.503  -3.085  -0.919  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.277  -3.119  -0.770  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.099   0.370   0.407  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.308  -0.609  -2.318  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.907  -2.110  -0.914  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.690  -1.023   1.930  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.596  -2.474   1.440  1.00  0.00           H  
HETATM  107  H   UNL     1      -2.823  -2.440   1.291  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.788   0.061  -1.491  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.323  -1.829   0.398  1.00  0.00           H  
HETATM  110  H   UNL     1      -1.521  -1.670  -2.644  1.00  0.00           H  
HETATM  111  H   UNL     1      -0.551  -2.848  -1.727  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.327  -2.876  -1.612  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.215   0.651  -0.371  1.00  0.00           H  
HETATM  114  H   UNL     1       0.994  -1.927  -1.467  1.00  0.00           H  
HETATM  115  H   UNL     1       3.079  -0.476  -1.619  1.00  0.00           H  
HETATM  116  H   UNL     1       1.146   1.679  -0.605  1.00  0.00           H  
HETATM  117  H   UNL     1      -1.988   3.857  -0.237  1.00  0.00           H  
HETATM  118  H   UNL     1      -0.466   1.653   1.259  1.00  0.00           H  
HETATM  119  H   UNL     1       0.329   4.535   0.254  1.00  0.00           H  
HETATM  120  H   UNL     1       1.699   2.477   2.045  1.00  0.00           H  
HETATM  121  H   UNL     1       3.140   4.513   2.387  1.00  0.00           H  
HETATM  122  H   UNL     1       1.735   5.581  -0.106  1.00  0.00           H  
HETATM  123  H   UNL     1       1.410   6.091   1.568  1.00  0.00           H  
HETATM  124  H   UNL     1       2.989   6.437   0.823  1.00  0.00           H  
HETATM  125  H   UNL     1       4.479   4.654   0.199  1.00  0.00           H  
HETATM  126  H   UNL     1       4.741   2.941   2.132  1.00  0.00           H  
HETATM  127  H   UNL     1       3.804   0.855   1.950  1.00  0.00           H  
HETATM  128  H   UNL     1       2.618   1.711   0.934  1.00  0.00           H  
HETATM  129  H   UNL     1       3.964   0.827   0.177  1.00  0.00           H  
HETATM  130  H   UNL     1       5.642   2.349  -0.720  1.00  0.00           H  
HETATM  131  H   UNL     1       6.948   3.700   1.494  1.00  0.00           H  
HETATM  132  H   UNL     1       5.818   0.324   0.701  1.00  0.00           H  
HETATM  133  H   UNL     1       7.446   2.146   2.530  1.00  0.00           H  
HETATM  134  H   UNL     1       5.837   1.480   2.895  1.00  0.00           H  
HETATM  135  H   UNL     1       7.235   0.391   2.734  1.00  0.00           H  
HETATM  136  H   UNL     1       8.622  -0.402   1.616  1.00  0.00           H  
HETATM  137  H   UNL     1       7.670  -1.219   0.351  1.00  0.00           H  
HETATM  138  H   UNL     1       9.588   1.873  -0.006  1.00  0.00           H  
HETATM  139  H   UNL     1       9.449   1.502  -1.872  1.00  0.00           H  
HETATM  140  H   UNL     1       7.975   1.728  -3.821  1.00  0.00           H  
HETATM  141  H   UNL     1       9.233   0.517  -4.167  1.00  0.00           H  
HETATM  142  H   UNL     1       7.582  -0.007  -3.756  1.00  0.00           H  
HETATM  143  H   UNL     1       8.652  -1.444  -1.986  1.00  0.00           H  
HETATM  144  H   UNL     1      11.103  -1.786  -2.279  1.00  0.00           H  
HETATM  145  H   UNL     1      10.408  -0.830  -3.610  1.00  0.00           H  
HETATM  146  H   UNL     1      12.511   0.197  -2.836  1.00  0.00           H  
HETATM  147  H   UNL     1      11.135   1.261  -2.460  1.00  0.00           H  
HETATM  148  H   UNL     1      11.877   0.278  -1.175  1.00  0.00           H  
HETATM  149  H   UNL     1      10.415   0.072  -0.006  1.00  0.00           H  
HETATM  150  H   UNL     1      10.429  -1.424   2.073  1.00  0.00           H  
HETATM  151  H   UNL     1      11.652  -3.463   2.730  1.00  0.00           H  
HETATM  152  H   UNL     1      10.125  -3.898   1.922  1.00  0.00           H  
HETATM  153  H   UNL     1      12.446  -2.089  -0.874  1.00  0.00           H  
HETATM  154  H   UNL     1      14.891  -1.410   0.822  1.00  0.00           H  
HETATM  155  H   UNL     1      14.918  -1.906  -0.888  1.00  0.00           H  
HETATM  156  H   UNL     1      14.166  -0.362  -0.421  1.00  0.00           H  
HETATM  157  H   UNL     1      13.780  -4.080  -0.296  1.00  0.00           H  
HETATM  158  H   UNL     1      14.874  -3.153   1.618  1.00  0.00           H  
HETATM  159  H   UNL     1      11.325  -4.268  -0.198  1.00  0.00           H  
HETATM  160  H   UNL     1      11.296  -6.064   1.381  1.00  0.00           H  
CONECT    1    9    2   73   74                                       
CONECT    2    4    1    3   75                                       
CONECT    3    2   76                                                 
CONECT    4    6    5    2   77                                       
CONECT    5    4   78                                                 
CONECT    6    7    8    4   79                                       
CONECT    7    6   80   81   82                                       
CONECT    8    6    9                                                 
CONECT    9    8   10    1   83                                       
CONECT   10   11    9                                                 
CONECT   11   13   12   10   84                                       
CONECT   12   19   11   85   86                                       
CONECT   13   16   14   11   87                                       
CONECT   14   15   13   88   89                                       
CONECT   15   14   90   91   92                                       
CONECT   16   17   18   13   93                                       
CONECT   17   16   94   95   96                                       
CONECT   18   16   19                                                 
CONECT   19   20   18   21   12                                       
CONECT   20   19   97                                                 
CONECT   21   19   23   22   98                                       
CONECT   22   21   99  100  101                                       
CONECT   23   25   21   24  102                                       
CONECT   24   23  103                                                 
CONECT   25   27   23   26  104                                       
CONECT   26   25  105  106  107                                       
CONECT   27   37   28   25  108                                       
CONECT   28   30   27   29  109                                       
CONECT   29   28  110  111  112                                       
CONECT   30   31   31   28  113                                       
CONECT   31   32   30   30  114                                       
CONECT   32   33   33   31  115                                       
CONECT   33   34   32   32  116                                       
CONECT   34   35   36   36   33                                       
CONECT   35   46   34                                                 
CONECT   36   34   34                                                 
CONECT   37   38   27                                                 
CONECT   38   40   39   39   37                                       
CONECT   39   38   38                                                 
CONECT   40   41   41   38  117                                       
CONECT   41   42   40   40  118                                       
CONECT   42   43   43   41  119                                       
CONECT   43   44   42   42  120                                       
CONECT   44   45   46   43  121                                       
CONECT   45   44  122  123  124                                       
CONECT   46   47   44   35  125                                       
CONECT   47   49   48   46  126                                       
CONECT   48   47  127  128  129                                       
CONECT   49   51   50   47  130                                       
CONECT   50   49  131                                                 
CONECT   51   52   53   49  132                                       
CONECT   52   51  133  134  135                                       
CONECT   53   54   55   51   56                                       
CONECT   54   62   53  136  137                                       
CONECT   55   53  138                                                 
CONECT   56   53   57                                                 
CONECT   57   59   56   58  139                                       
CONECT   58   57  140  141  142                                       
CONECT   59   62   60   57  143                                       
CONECT   60   61   59  144  145                                       
CONECT   61   60  146  147  148                                       
CONECT   62   63   54   59  149                                       
CONECT   63   64   62                                                 
CONECT   64   66   65   63  150                                       
CONECT   65   64   71  151  152                                       
CONECT   66   64   67                                                 
CONECT   67   68   66   69  153                                       
CONECT   68   67  154  155  156                                       
CONECT   69   70   67   71  157                                       
CONECT   70   69  158                                                 
CONECT   71   65   69   72  159                                       
CONECT   72   71  160                                                 
CONECT   73    1                                                      
CONECT   74    1                                                      
CONECT   75    2                                                      
CONECT   76    3                                                      
CONECT   77    4                                                      
CONECT   78    5                                                      
CONECT   79    6                                                      
CONECT   80    7                                                      
CONECT   81    7                                                      
CONECT   82    7                                                      
CONECT   83    9                                                      
CONECT   84   11                                                      
CONECT   85   12                                                      
CONECT   86   12                                                      
CONECT   87   13                                                      
CONECT   88   14                                                      
CONECT   89   14                                                      
CONECT   90   15                                                      
CONECT   91   15                                                      
CONECT   92   15                                                      
CONECT   93   16                                                      
CONECT   94   17                                                      
CONECT   95   17                                                      
CONECT   96   17                                                      
CONECT   97   20                                                      
CONECT   98   21                                                      
CONECT   99   22                                                      
CONECT  100   22                                                      
CONECT  101   22                                                      
CONECT  102   23                                                      
CONECT  103   24                                                      
CONECT  104   25                                                      
CONECT  105   26                                                      
CONECT  106   26                                                      
CONECT  107   26                                                      
CONECT  108   27                                                      
CONECT  109   28                                                      
CONECT  110   29                                                      
CONECT  111   29                                                      
CONECT  112   29                                                      
CONECT  113   30                                                      
CONECT  114   31                                                      
CONECT  115   32                                                      
CONECT  116   33                                                      
CONECT  117   40                                                      
CONECT  118   41                                                      
CONECT  119   42                                                      
CONECT  120   43                                                      
CONECT  121   44                                                      
CONECT  122   45                                                      
CONECT  123   45                                                      
CONECT  124   45                                                      
CONECT  125   46                                                      
CONECT  126   47                                                      
CONECT  127   48                                                      
CONECT  128   48                                                      
CONECT  129   48                                                      
CONECT  130   49                                                      
CONECT  131   50                                                      
CONECT  132   51                                                      
CONECT  133   52                                                      
CONECT  134   52                                                      
CONECT  135   52                                                      
CONECT  136   54                                                      
CONECT  137   54                                                      
CONECT  138   55                                                      
CONECT  139   57                                                      
CONECT  140   58                                                      
CONECT  141   58                                                      
CONECT  142   58                                                      
CONECT  143   59                                                      
CONECT  144   60                                                      
CONECT  145   60                                                      
CONECT  146   61                                                      
CONECT  147   61                                                      
CONECT  148   61                                                      
CONECT  149   62                                                      
CONECT  150   64                                                      
CONECT  151   65                                                      
CONECT  152   65                                                      
CONECT  153   67                                                      
CONECT  154   68                                                      
CONECT  155   68                                                      
CONECT  156   68                                                      
CONECT  157   69                                                      
CONECT  158   70                                                      
CONECT  159   71                                                      
CONECT  160   72                                                      
MASTER        0    0    0    0    0    0    0    0  160    0  160    0
END
