COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.268   7.359  -6.038  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.069   8.554  -5.514  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.954   9.137  -6.615  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.147   9.402  -7.886  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.387   8.134  -8.292  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.499   8.339  -9.513  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.372   6.898  -5.038  1.00  0.00           O  
HETATM    8  O   UNL     1      -8.890   8.108  -4.435  1.00  0.00           O  
HETATM    9  O   UNL     1      -7.226  10.463  -7.627  1.00  0.00           O  
HETATM   10  O   UNL     1      -6.542   7.708  -7.215  1.00  0.00           O  
HETATM   11  O   UNL     1      -5.835   7.121  -9.799  1.00  0.00           O  
HETATM   12  O   UNL     1     -10.862  11.314 -10.681  1.00  0.00           O  
HETATM   13  C   UNL     1     -10.836  10.540  -6.719  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.683  11.316  -5.710  1.00  0.00           C  
HETATM   15  C   UNL     1     -13.038  11.704  -6.302  1.00  0.00           C  
HETATM   16  C   UNL     1     -12.876  12.342  -7.682  1.00  0.00           C  
HETATM   17  C   UNL     1     -11.976  11.483  -8.575  1.00  0.00           C  
HETATM   18  C   UNL     1     -11.705  12.157  -9.917  1.00  0.00           C  
HETATM   19  O   UNL     1      -9.551  10.343  -6.148  1.00  0.00           O  
HETATM   20  O   UNL     1     -11.890  10.518  -4.545  1.00  0.00           O  
HETATM   21  O   UNL     1     -13.690  12.626  -5.428  1.00  0.00           O  
HETATM   22  O   UNL     1     -14.157  12.475  -8.292  1.00  0.00           O  
HETATM   23  O   UNL     1     -10.716  11.271  -7.937  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.611   5.785  -5.495  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.629   5.350  -4.412  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.366   5.011  -3.234  1.00  0.00           O  
HETATM   27  C   UNL     1      -6.268   3.999  -3.377  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.178   3.057  -4.155  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.661   6.470  -4.056  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.790   6.018  -3.025  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.858   6.920  -2.595  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.713   8.060  -3.014  1.00  0.00           O  
HETATM   33  C   UNL     1      -7.415   4.186  -2.413  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.427   3.048  -2.517  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.586   3.215  -1.532  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.569   2.046  -1.621  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.738   2.236  -0.654  1.00  0.00           C  
HETATM   38  C   UNL     1     -12.738   1.081  -0.755  1.00  0.00           C  
HETATM   39  C   UNL     1     -13.912   1.220   0.221  1.00  0.00           C  
HETATM   40  C   UNL     1     -14.985   0.133   0.093  1.00  0.00           C  
HETATM   41  C   UNL     1     -15.582   0.052  -1.283  1.00  0.00           C  
HETATM   42  C   UNL     1     -15.670  -1.030  -2.071  1.00  0.00           C  
HETATM   43  C   UNL     1     -16.269  -1.101  -3.446  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.004   6.311  -1.509  1.00  0.00           C  
HETATM   45  C   UNL     1       0.025   7.298  -0.965  1.00  0.00           C  
HETATM   46  C   UNL     1       0.936   6.663   0.091  1.00  0.00           C  
HETATM   47  C   UNL     1       1.976   7.635   0.658  1.00  0.00           C  
HETATM   48  C   UNL     1       2.878   7.071   1.761  1.00  0.00           C  
HETATM   49  C   UNL     1       3.861   8.101   2.327  1.00  0.00           C  
HETATM   50  C   UNL     1       4.764   7.532   3.427  1.00  0.00           C  
HETATM   51  C   UNL     1       3.995   6.941   4.575  1.00  0.00           C  
HETATM   52  C   UNL     1       4.055   5.647   4.922  1.00  0.00           C  
HETATM   53  C   UNL     1       3.304   5.059   6.082  1.00  0.00           C  
HETATM   54  C   UNL     1       2.356   3.922   5.682  1.00  0.00           C  
HETATM   55  C   UNL     1       1.267   4.359   4.695  1.00  0.00           C  
HETATM   56  C   UNL     1       0.369   3.183   4.304  1.00  0.00           C  
HETATM   57  C   UNL     1      -0.683   3.542   3.250  1.00  0.00           C  
HETATM   58  C   UNL     1     -15.269  -1.635  -4.471  1.00  0.00           C  
HETATM   59  C   UNL     1     -14.044  -0.733  -4.657  1.00  0.00           C  
HETATM   60  C   UNL     1     -14.319   0.677  -5.191  1.00  0.00           C  
HETATM   61  C   UNL     1     -13.051   1.500  -5.431  1.00  0.00           C  
HETATM   62  C   UNL     1     -13.385   2.862  -6.044  1.00  0.00           C  
HETATM   63  C   UNL     1     -12.154   3.741  -6.274  1.00  0.00           C  
HETATM   64  C   UNL     1     -12.487   5.103  -6.864  1.00  0.00           C  
HETATM   65  C   UNL     1      -1.557   2.385   2.755  1.00  0.00           C  
HETATM   66  C   UNL     1      -2.543   2.791   1.660  1.00  0.00           C  
HETATM   67  C   UNL     1      -3.446   1.632   1.267  1.00  0.00           C  
HETATM   68  H   UNL     1      -7.930   6.515  -6.263  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.400   9.324  -5.111  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.773   8.439  -6.829  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.814   9.740  -8.687  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.099   7.330  -8.517  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.758   9.113  -9.311  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.106   8.628 -10.372  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.568   8.789  -4.307  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.351  11.112  -8.335  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.888   7.325  -9.878  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.427  11.874 -11.347  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.264   9.549  -6.914  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.147  12.214  -5.378  1.00  0.00           H  
HETATM   81  H   UNL     1     -13.698  10.830  -6.362  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.454  13.349  -7.575  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.448  10.513  -8.779  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.210  13.115  -9.759  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.642  12.311 -10.452  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.385   9.736  -4.833  1.00  0.00           H  
HETATM   87  H   UNL     1     -14.642  12.490  -5.549  1.00  0.00           H  
HETATM   88  H   UNL     1     -14.047  12.225  -9.223  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.307   4.981  -5.753  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.084   6.101  -6.401  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.082   4.449  -4.713  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.194   7.351  -3.683  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.048   6.751  -4.918  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.890   5.142  -2.659  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.038   4.278  -1.388  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.824   3.024  -3.539  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.930   2.086  -2.342  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.111   4.156  -1.737  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.198   3.277  -0.509  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.044   1.112  -1.387  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.950   1.957  -2.646  1.00  0.00           H  
HETATM  102  H   UNL     1     -12.247   3.182  -0.877  1.00  0.00           H  
HETATM  103  H   UNL     1     -11.351   2.318   0.366  1.00  0.00           H  
HETATM  104  H   UNL     1     -12.226   0.125  -0.599  1.00  0.00           H  
HETATM  105  H   UNL     1     -13.141   1.057  -1.775  1.00  0.00           H  
HETATM  106  H   UNL     1     -13.526   1.216   1.248  1.00  0.00           H  
HETATM  107  H   UNL     1     -14.376   2.203   0.070  1.00  0.00           H  
HETATM  108  H   UNL     1     -14.598  -0.833   0.429  1.00  0.00           H  
HETATM  109  H   UNL     1     -15.801   0.376   0.786  1.00  0.00           H  
HETATM  110  H   UNL     1     -16.023   0.975  -1.655  1.00  0.00           H  
HETATM  111  H   UNL     1     -15.288  -1.970  -1.677  1.00  0.00           H  
HETATM  112  H   UNL     1     -16.645  -0.121  -3.747  1.00  0.00           H  
HETATM  113  H   UNL     1     -17.147  -1.758  -3.405  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.506   5.428  -1.925  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.661   5.951  -0.708  1.00  0.00           H  
HETATM  116  H   UNL     1      -0.489   8.169  -0.545  1.00  0.00           H  
HETATM  117  H   UNL     1       0.641   7.658  -1.798  1.00  0.00           H  
HETATM  118  H   UNL     1       1.472   5.820  -0.363  1.00  0.00           H  
HETATM  119  H   UNL     1       0.339   6.242   0.907  1.00  0.00           H  
HETATM  120  H   UNL     1       2.606   7.989  -0.168  1.00  0.00           H  
HETATM  121  H   UNL     1       1.459   8.520   1.051  1.00  0.00           H  
HETATM  122  H   UNL     1       2.234   6.709   2.572  1.00  0.00           H  
HETATM  123  H   UNL     1       3.416   6.194   1.384  1.00  0.00           H  
HETATM  124  H   UNL     1       4.485   8.513   1.526  1.00  0.00           H  
HETATM  125  H   UNL     1       3.291   8.938   2.750  1.00  0.00           H  
HETATM  126  H   UNL     1       5.427   8.316   3.812  1.00  0.00           H  
HETATM  127  H   UNL     1       5.415   6.770   2.979  1.00  0.00           H  
HETATM  128  H   UNL     1       3.373   7.618   5.154  1.00  0.00           H  
HETATM  129  H   UNL     1       4.694   4.976   4.355  1.00  0.00           H  
HETATM  130  H   UNL     1       2.715   5.837   6.584  1.00  0.00           H  
HETATM  131  H   UNL     1       4.027   4.694   6.820  1.00  0.00           H  
HETATM  132  H   UNL     1       2.955   3.127   5.222  1.00  0.00           H  
HETATM  133  H   UNL     1       1.891   3.491   6.577  1.00  0.00           H  
HETATM  134  H   UNL     1       0.661   5.150   5.147  1.00  0.00           H  
HETATM  135  H   UNL     1       1.734   4.777   3.795  1.00  0.00           H  
HETATM  136  H   UNL     1      -0.118   2.773   5.196  1.00  0.00           H  
HETATM  137  H   UNL     1       0.992   2.376   3.898  1.00  0.00           H  
HETATM  138  H   UNL     1      -1.340   4.321   3.657  1.00  0.00           H  
HETATM  139  H   UNL     1      -0.171   3.991   2.390  1.00  0.00           H  
HETATM  140  H   UNL     1     -14.945  -2.644  -4.189  1.00  0.00           H  
HETATM  141  H   UNL     1     -15.766  -1.738  -5.445  1.00  0.00           H  
HETATM  142  H   UNL     1     -13.531  -0.650  -3.691  1.00  0.00           H  
HETATM  143  H   UNL     1     -13.340  -1.228  -5.337  1.00  0.00           H  
HETATM  144  H   UNL     1     -14.984   1.214  -4.505  1.00  0.00           H  
HETATM  145  H   UNL     1     -14.870   0.579  -6.136  1.00  0.00           H  
HETATM  146  H   UNL     1     -12.376   0.953  -6.100  1.00  0.00           H  
HETATM  147  H   UNL     1     -12.526   1.642  -4.483  1.00  0.00           H  
HETATM  148  H   UNL     1     -13.880   2.704  -7.010  1.00  0.00           H  
HETATM  149  H   UNL     1     -14.100   3.394  -5.406  1.00  0.00           H  
HETATM  150  H   UNL     1     -11.481   3.220  -6.965  1.00  0.00           H  
HETATM  151  H   UNL     1     -11.605   3.872  -5.334  1.00  0.00           H  
HETATM  152  H   UNL     1     -13.071   5.713  -6.170  1.00  0.00           H  
HETATM  153  H   UNL     1     -13.053   4.999  -7.795  1.00  0.00           H  
HETATM  154  H   UNL     1     -11.565   5.649  -7.089  1.00  0.00           H  
HETATM  155  H   UNL     1      -0.925   1.563   2.400  1.00  0.00           H  
HETATM  156  H   UNL     1      -2.116   1.992   3.613  1.00  0.00           H  
HETATM  157  H   UNL     1      -2.003   3.129   0.770  1.00  0.00           H  
HETATM  158  H   UNL     1      -3.161   3.628   2.006  1.00  0.00           H  
HETATM  159  H   UNL     1      -4.035   1.285   2.121  1.00  0.00           H  
HETATM  160  H   UNL     1      -4.139   1.943   0.479  1.00  0.00           H  
HETATM  161  H   UNL     1      -2.858   0.789   0.889  1.00  0.00           H  
CONECT    1    2    7   10   68                                       
CONECT    2    1    3    8   69                                       
CONECT    3    2    4   19   70                                       
CONECT    4    3    5    9   71                                       
CONECT    5    4    6   10   72                                       
CONECT    6    5   11   73   74                                       
CONECT    7    1   24                                                 
CONECT    8    2   75                                                 
CONECT    9    4   76                                                 
CONECT   10    1    5                                                 
CONECT   11    6   77                                                 
CONECT   12   18   78                                                 
CONECT   13   14   19   23   79                                       
CONECT   14   13   15   20   80                                       
CONECT   15   14   16   21   81                                       
CONECT   16   15   17   22   82                                       
CONECT   17   16   18   23   83                                       
CONECT   18   12   17   84   85                                       
CONECT   19    3   13                                                 
CONECT   20   14   86                                                 
CONECT   21   15   87                                                 
CONECT   22   16   88                                                 
CONECT   23   13   17                                                 
CONECT   24    7   25   89   90                                       
CONECT   25   24   26   29   91                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   28   33                                       
CONECT   28   27   27                                                 
CONECT   29   25   30   92   93                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   32   44                                       
CONECT   32   31   31                                                 
CONECT   33   27   34   94   95                                       
CONECT   34   33   35   96   97                                       
CONECT   35   34   36   98   99                                       
CONECT   36   35   37  100  101                                       
CONECT   37   36   38  102  103                                       
CONECT   38   37   39  104  105                                       
CONECT   39   38   40  106  107                                       
CONECT   40   39   41  108  109                                       
CONECT   41   40   42   42  110                                       
CONECT   42   41   41   43  111                                       
CONECT   43   42   58  112  113                                       
CONECT   44   31   45  114  115                                       
CONECT   45   44   46  116  117                                       
CONECT   46   45   47  118  119                                       
CONECT   47   46   48  120  121                                       
CONECT   48   47   49  122  123                                       
CONECT   49   48   50  124  125                                       
CONECT   50   49   51  126  127                                       
CONECT   51   50   52   52  128                                       
CONECT   52   51   51   53  129                                       
CONECT   53   52   54  130  131                                       
CONECT   54   53   55  132  133                                       
CONECT   55   54   56  134  135                                       
CONECT   56   55   57  136  137                                       
CONECT   57   56   65  138  139                                       
CONECT   58   43   59  140  141                                       
CONECT   59   58   60  142  143                                       
CONECT   60   59   61  144  145                                       
CONECT   61   60   62  146  147                                       
CONECT   62   61   63  148  149                                       
CONECT   63   62   64  150  151                                       
CONECT   64   63  152  153  154                                       
CONECT   65   57   66  155  156                                       
CONECT   66   65   67  157  158                                       
CONECT   67   66  159  160  161                                       
CONECT   68    1                                                      
CONECT   69    2                                                      
CONECT   70    3                                                      
CONECT   71    4                                                      
CONECT   72    5                                                      
CONECT   73    6                                                      
CONECT   74    6                                                      
CONECT   75    8                                                      
CONECT   76    9                                                      
CONECT   77   11                                                      
CONECT   78   12                                                      
CONECT   79   13                                                      
CONECT   80   14                                                      
CONECT   81   15                                                      
CONECT   82   16                                                      
CONECT   83   17                                                      
CONECT   84   18                                                      
CONECT   85   18                                                      
CONECT   86   20                                                      
CONECT   87   21                                                      
CONECT   88   22                                                      
CONECT   89   24                                                      
CONECT   90   24                                                      
CONECT   91   25                                                      
CONECT   92   29                                                      
CONECT   93   29                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   34                                                      
CONECT   98   35                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
CONECT  101   36                                                      
CONECT  102   37                                                      
CONECT  103   37                                                      
CONECT  104   38                                                      
CONECT  105   38                                                      
CONECT  106   39                                                      
CONECT  107   39                                                      
CONECT  108   40                                                      
CONECT  109   40                                                      
CONECT  110   41                                                      
CONECT  111   42                                                      
CONECT  112   43                                                      
CONECT  113   43                                                      
CONECT  114   44                                                      
CONECT  115   44                                                      
CONECT  116   45                                                      
CONECT  117   45                                                      
CONECT  118   46                                                      
CONECT  119   46                                                      
CONECT  120   47                                                      
CONECT  121   47                                                      
CONECT  122   48                                                      
CONECT  123   48                                                      
CONECT  124   49                                                      
CONECT  125   49                                                      
CONECT  126   50                                                      
CONECT  127   50                                                      
CONECT  128   51                                                      
CONECT  129   52                                                      
CONECT  130   53                                                      
CONECT  131   53                                                      
CONECT  132   54                                                      
CONECT  133   54                                                      
CONECT  134   55                                                      
CONECT  135   55                                                      
CONECT  136   56                                                      
CONECT  137   56                                                      
CONECT  138   57                                                      
CONECT  139   57                                                      
CONECT  140   58                                                      
CONECT  141   58                                                      
CONECT  142   59                                                      
CONECT  143   59                                                      
CONECT  144   60                                                      
CONECT  145   60                                                      
CONECT  146   61                                                      
CONECT  147   61                                                      
CONECT  148   62                                                      
CONECT  149   62                                                      
CONECT  150   63                                                      
CONECT  151   63                                                      
CONECT  152   64                                                      
CONECT  153   64                                                      
CONECT  154   64                                                      
CONECT  155   65                                                      
CONECT  156   65                                                      
CONECT  157   66                                                      
CONECT  158   66                                                      
CONECT  159   67                                                      
CONECT  160   67                                                      
CONECT  161   67                                                      
MASTER        0    0    0    0    0    0    0    0  161    0  161    0
END
