COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.294   3.453   3.193  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.775   2.375   2.277  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.502   2.638   1.125  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.539   7.146   1.053  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.628   6.277   1.075  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.543   5.086   1.767  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.380   4.755   2.438  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.296   5.614   2.420  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.370   6.807   1.731  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.777  10.811  -1.091  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.534   9.295   0.283  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.623   8.425   0.305  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.617  10.483  -0.414  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.790   8.761  -0.378  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.861   9.952  -1.072  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.614   1.119   2.739  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.109   0.071   1.848  1.00  0.00           C  
HETATM   18  C   UNL     1       1.260   0.453   1.347  1.00  0.00           C  
HETATM   19  O   UNL     1       1.618   1.611   1.385  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.060  -0.091   0.660  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.826  -2.021  -1.643  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.161  -2.522  -1.153  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.143  -1.619  -0.786  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.401  -3.882  -1.079  1.00  0.00           C  
HETATM   25  C   UNL     1     -11.367  -2.072  -0.337  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.622  -4.346  -0.632  1.00  0.00           C  
HETATM   27  C   UNL     1     -11.612  -3.441  -0.254  1.00  0.00           C  
HETATM   28  N   UNL     1       2.086  -0.492   0.858  1.00  0.00           N  
HETATM   29  C   UNL     1       3.417  -0.121   0.371  1.00  0.00           C  
HETATM   30  C   UNL     1       3.318   0.339  -1.085  1.00  0.00           C  
HETATM   31  C   UNL     1       2.487   1.621  -1.160  1.00  0.00           C  
HETATM   32  C   UNL     1       2.387   2.081  -2.616  1.00  0.00           C  
HETATM   33  N   UNL     1       1.592   3.309  -2.687  1.00  0.00           N  
HETATM   34  C   UNL     1       1.365   3.911  -3.902  1.00  0.00           C  
HETATM   35  N   UNL     1       1.858   3.390  -4.990  1.00  0.00           N  
HETATM   36  N   UNL     1       0.618   5.064  -3.969  1.00  0.00           N  
HETATM   37  C   UNL     1       4.335  -1.312   0.460  1.00  0.00           C  
HETATM   38  O   UNL     1       3.919  -2.368   0.888  1.00  0.00           O  
HETATM   39  N   UNL     1       5.619  -1.205   0.064  1.00  0.00           N  
HETATM   40  C   UNL     1       6.512  -2.363   0.151  1.00  0.00           C  
HETATM   41  C   UNL     1       7.939  -1.891   0.256  1.00  0.00           C  
HETATM   42  O   UNL     1       8.186  -0.704   0.258  1.00  0.00           O  
HETATM   43  C   UNL     1       6.351  -3.226  -1.102  1.00  0.00           C  
HETATM   44  C   UNL     1       4.957  -3.799  -1.143  1.00  0.00           C  
HETATM   45  C   UNL     1       3.943  -3.102  -1.773  1.00  0.00           C  
HETATM   46  C   UNL     1       4.697  -5.022  -0.554  1.00  0.00           C  
HETATM   47  C   UNL     1       2.665  -3.625  -1.811  1.00  0.00           C  
HETATM   48  C   UNL     1       3.420  -5.550  -0.590  1.00  0.00           C  
HETATM   49  C   UNL     1       2.399  -4.850  -1.217  1.00  0.00           C  
HETATM   50  O   UNL     1       1.143  -5.366  -1.253  1.00  0.00           O  
HETATM   51  C   UNL     1      12.687  -3.066   0.645  1.00  0.00           C  
HETATM   52  C   UNL     1      13.248  -2.832   1.886  1.00  0.00           C  
HETATM   53  C   UNL     1      14.559  -2.405   1.983  1.00  0.00           C  
HETATM   54  C   UNL     1      15.309  -2.211   0.838  1.00  0.00           C  
HETATM   55  C   UNL     1      14.749  -2.446  -0.404  1.00  0.00           C  
HETATM   56  C   UNL     1      13.437  -2.872  -0.500  1.00  0.00           C  
HETATM   57  C   UNL     1      11.260  -3.539   0.540  1.00  0.00           C  
HETATM   58  C   UNL     1      10.328  -2.329   0.449  1.00  0.00           C  
HETATM   59  N   UNL     1       8.941  -2.788   0.347  1.00  0.00           N  
HETATM   60  C   UNL     1     -12.926  -3.934   0.228  1.00  0.00           C  
HETATM   61  C   UNL     1     -13.172  -5.304   0.311  1.00  0.00           C  
HETATM   62  C   UNL     1     -13.917  -3.030   0.606  1.00  0.00           C  
HETATM   63  C   UNL     1     -14.396  -5.757   0.761  1.00  0.00           C  
HETATM   64  C   UNL     1     -15.137  -3.494   1.054  1.00  0.00           C  
HETATM   65  C   UNL     1     -15.377  -4.854   1.129  1.00  0.00           C  
HETATM   66  C   UNL     1      -6.890  -1.862  -0.473  1.00  0.00           C  
HETATM   67  C   UNL     1      -2.415  -0.599   1.157  1.00  0.00           C  
HETATM   68  C   UNL     1      -3.366  -0.760  -0.031  1.00  0.00           C  
HETATM   69  C   UNL     1      -4.721  -1.269   0.466  1.00  0.00           C  
HETATM   70  N   UNL     1      -5.631  -1.423  -0.672  1.00  0.00           N  
HETATM   71  O   UNL     1      -7.269  -2.129   0.648  1.00  0.00           O  
HETATM   72  H   UNL     1      -2.284   3.177   3.555  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.617   3.568   4.039  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.537   6.535   0.551  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.387   4.412   1.785  1.00  0.00           H  
HETATM   76  H   UNL     1       0.609   5.351   2.946  1.00  0.00           H  
HETATM   77  H   UNL     1       0.477   7.477   1.717  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.839  11.744  -1.632  1.00  0.00           H  
HETATM   79  H   UNL     1       0.373   9.039   0.811  1.00  0.00           H  
HETATM   80  H   UNL     1       0.227  11.157  -0.432  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.636   8.091  -0.365  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.765  10.214  -1.602  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.832   0.909   3.660  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.047  -0.871   2.394  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.192   0.872   0.167  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.641  -0.806  -0.047  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.406  -2.737  -2.349  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.958  -1.058  -2.136  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.951  -0.558  -0.850  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.633  -4.582  -1.372  1.00  0.00           H  
HETATM   91  H   UNL     1     -12.132  -1.367  -0.050  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.809  -5.408  -0.574  1.00  0.00           H  
HETATM   93  H   UNL     1       1.800  -1.418   0.827  1.00  0.00           H  
HETATM   94  H   UNL     1       3.814   0.690   0.981  1.00  0.00           H  
HETATM   95  H   UNL     1       4.317   0.530  -1.475  1.00  0.00           H  
HETATM   96  H   UNL     1       2.839  -0.439  -1.680  1.00  0.00           H  
HETATM   97  H   UNL     1       1.487   1.430  -0.770  1.00  0.00           H  
HETATM   98  H   UNL     1       2.965   2.399  -0.565  1.00  0.00           H  
HETATM   99  H   UNL     1       3.387   2.272  -3.005  1.00  0.00           H  
HETATM  100  H   UNL     1       1.909   1.303  -3.210  1.00  0.00           H  
HETATM  101  H   UNL     1       1.225   3.697  -1.877  1.00  0.00           H  
HETATM  102  H   UNL     1       1.698   3.815  -5.847  1.00  0.00           H  
HETATM  103  H   UNL     1       0.252   5.452  -3.159  1.00  0.00           H  
HETATM  104  H   UNL     1       0.459   5.489  -4.826  1.00  0.00           H  
HETATM  105  H   UNL     1       5.952  -0.361  -0.278  1.00  0.00           H  
HETATM  106  H   UNL     1       6.258  -2.952   1.032  1.00  0.00           H  
HETATM  107  H   UNL     1       6.518  -2.614  -1.989  1.00  0.00           H  
HETATM  108  H   UNL     1       7.077  -4.039  -1.080  1.00  0.00           H  
HETATM  109  H   UNL     1       4.150  -2.148  -2.235  1.00  0.00           H  
HETATM  110  H   UNL     1       5.492  -5.567  -0.066  1.00  0.00           H  
HETATM  111  H   UNL     1       1.873  -3.080  -2.303  1.00  0.00           H  
HETATM  112  H   UNL     1       3.217  -6.506  -0.131  1.00  0.00           H  
HETATM  113  H   UNL     1       0.969  -5.925  -2.022  1.00  0.00           H  
HETATM  114  H   UNL     1      12.663  -2.984   2.781  1.00  0.00           H  
HETATM  115  H   UNL     1      14.998  -2.221   2.953  1.00  0.00           H  
HETATM  116  H   UNL     1      16.333  -1.876   0.913  1.00  0.00           H  
HETATM  117  H   UNL     1      15.334  -2.294  -1.298  1.00  0.00           H  
HETATM  118  H   UNL     1      12.999  -3.055  -1.470  1.00  0.00           H  
HETATM  119  H   UNL     1      11.146  -4.153  -0.353  1.00  0.00           H  
HETATM  120  H   UNL     1      11.007  -4.128   1.421  1.00  0.00           H  
HETATM  121  H   UNL     1      10.443  -1.714   1.342  1.00  0.00           H  
HETATM  122  H   UNL     1      10.582  -1.740  -0.432  1.00  0.00           H  
HETATM  123  H   UNL     1       8.743  -3.738   0.346  1.00  0.00           H  
HETATM  124  H   UNL     1     -12.406  -6.009   0.023  1.00  0.00           H  
HETATM  125  H   UNL     1     -13.730  -1.968   0.548  1.00  0.00           H  
HETATM  126  H   UNL     1     -14.587  -6.818   0.825  1.00  0.00           H  
HETATM  127  H   UNL     1     -15.905  -2.794   1.348  1.00  0.00           H  
HETATM  128  H   UNL     1     -16.333  -5.213   1.481  1.00  0.00           H  
HETATM  129  H   UNL     1      -2.283  -1.562   1.650  1.00  0.00           H  
HETATM  130  H   UNL     1      -3.498   0.203  -0.524  1.00  0.00           H  
HETATM  131  H   UNL     1      -4.589  -2.232   0.959  1.00  0.00           H  
HETATM  132  H   UNL     1      -5.141  -0.553   1.172  1.00  0.00           H  
HETATM  133  H   UNL     1      -5.328  -1.210  -1.568  1.00  0.00           H  
HETATM  134  H   UNL     1      -2.835   0.117   1.864  1.00  0.00           H  
HETATM  135  H   UNL     1      -2.946  -1.476  -0.738  1.00  0.00           H  
CONECT    1    2    7   72   73                                       
CONECT    2    1    3    3   16                                       
CONECT    3    2    2                                                 
CONECT    4    5    5    9   12                                       
CONECT    5    4    4    6   74                                       
CONECT    6    5    7    7   75                                       
CONECT    7    1    6    6    8                                       
CONECT    8    7    9    9   76                                       
CONECT    9    4    8    8   77                                       
CONECT   10   13   13   15   78                                       
CONECT   11   12   12   13   79                                       
CONECT   12    4   11   11   14                                       
CONECT   13   10   10   11   80                                       
CONECT   14   12   15   15   81                                       
CONECT   15   10   14   14   82                                       
CONECT   16    2   17   83                                            
CONECT   17   16   18   20   84                                       
CONECT   18   17   19   19   28                                       
CONECT   19   18   18                                                 
CONECT   20   17   67   85   86                                       
CONECT   21   22   66   87   88                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22   25   89                                       
CONECT   24   22   26   26   90                                       
CONECT   25   23   27   27   91                                       
CONECT   26   24   24   27   92                                       
CONECT   27   25   25   26   60                                       
CONECT   28   18   29   93                                            
CONECT   29   28   30   37   94                                       
CONECT   30   29   31   95   96                                       
CONECT   31   30   32   97   98                                       
CONECT   32   31   33   99  100                                       
CONECT   33   32   34  101                                            
CONECT   34   33   35   35   36                                       
CONECT   35   34   34  102                                            
CONECT   36   34  103  104                                            
CONECT   37   29   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40  105                                            
CONECT   40   39   41   43  106                                       
CONECT   41   40   42   42   59                                       
CONECT   42   41   41                                                 
CONECT   43   40   44  107  108                                       
CONECT   44   43   45   45   46                                       
CONECT   45   44   44   47  109                                       
CONECT   46   44   48   48  110                                       
CONECT   47   45   49   49  111                                       
CONECT   48   46   46   49  112                                       
CONECT   49   47   47   48   50                                       
CONECT   50   49  113                                                 
CONECT   51   52   52   56   57                                       
CONECT   52   51   51   53  114                                       
CONECT   53   52   54   54  115                                       
CONECT   54   53   53   55  116                                       
CONECT   55   54   56   56  117                                       
CONECT   56   51   55   55  118                                       
CONECT   57   51   58  119  120                                       
CONECT   58   57   59  121  122                                       
CONECT   59   41   58  123                                            
CONECT   60   27   61   61   62                                       
CONECT   61   60   60   63  124                                       
CONECT   62   60   64   64  125                                       
CONECT   63   61   65   65  126                                       
CONECT   64   62   62   65  127                                       
CONECT   65   63   63   64  128                                       
CONECT   66   21   70   71   71                                       
CONECT   67   20   68  129  134                                       
CONECT   68   67   69  130  135                                       
CONECT   69   68   70  131  132                                       
CONECT   70   66   69  133                                            
CONECT   71   66   66                                                 
CONECT   72    1                                                      
CONECT   73    1                                                      
CONECT   74    5                                                      
CONECT   75    6                                                      
CONECT   76    8                                                      
CONECT   77    9                                                      
CONECT   78   10                                                      
CONECT   79   11                                                      
CONECT   80   13                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   16                                                      
CONECT   84   17                                                      
CONECT   85   20                                                      
CONECT   86   20                                                      
CONECT   87   21                                                      
CONECT   88   21                                                      
CONECT   89   23                                                      
CONECT   90   24                                                      
CONECT   91   25                                                      
CONECT   92   26                                                      
CONECT   93   28                                                      
CONECT   94   29                                                      
CONECT   95   30                                                      
CONECT   96   30                                                      
CONECT   97   31                                                      
CONECT   98   31                                                      
CONECT   99   32                                                      
CONECT  100   32                                                      
CONECT  101   33                                                      
CONECT  102   35                                                      
CONECT  103   36                                                      
CONECT  104   36                                                      
CONECT  105   39                                                      
CONECT  106   40                                                      
CONECT  107   43                                                      
CONECT  108   43                                                      
CONECT  109   45                                                      
CONECT  110   46                                                      
CONECT  111   47                                                      
CONECT  112   48                                                      
CONECT  113   50                                                      
CONECT  114   52                                                      
CONECT  115   53                                                      
CONECT  116   54                                                      
CONECT  117   55                                                      
CONECT  118   56                                                      
CONECT  119   57                                                      
CONECT  120   57                                                      
CONECT  121   58                                                      
CONECT  122   58                                                      
CONECT  123   59                                                      
CONECT  124   61                                                      
CONECT  125   62                                                      
CONECT  126   63                                                      
CONECT  127   64                                                      
CONECT  128   65                                                      
CONECT  129   67                                                      
CONECT  130   68                                                      
CONECT  131   69                                                      
CONECT  132   69                                                      
CONECT  133   70                                                      
CONECT  134   67                                                      
CONECT  135   68                                                      
MASTER        0    0    0    0    0    0    0    0  135    0  135    0
END
