COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.677   2.403   0.678  1.00  0.00           C  
HETATM    2  C   UNL     1       6.953   1.846  -0.016  1.00  0.00           C  
HETATM    3  C   UNL     1       4.615   1.849  -0.897  1.00  0.00           C  
HETATM    4  C   UNL     1       2.277   1.853  -1.778  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.757   2.640  -3.904  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.188   2.114  -3.778  1.00  0.00           C  
HETATM    7  C   UNL     1      14.077   7.111   2.037  1.00  0.00           C  
HETATM    8  C   UNL     1      14.073   5.626   1.666  1.00  0.00           C  
HETATM    9  C   UNL     1      12.666   5.057   1.856  1.00  0.00           C  
HETATM   10  C   UNL     1      12.663   3.572   1.485  1.00  0.00           C  
HETATM   11  C   UNL     1      11.277   3.011   1.672  1.00  0.00           C  
HETATM   12  C   UNL     1       9.291   1.842   0.865  1.00  0.00           C  
HETATM   13  C   UNL     1       8.360   2.415  -0.205  1.00  0.00           C  
HETATM   14  C   UNL     1       6.022   2.419  -1.086  1.00  0.00           C  
HETATM   15  C   UNL     1       3.684   2.423  -1.967  1.00  0.00           C  
HETATM   16  C   UNL     1       1.360   2.418  -2.832  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.172   0.584  -3.797  1.00  0.00           C  
HETATM   18  C   UNL     1       0.628  -2.903  -0.992  1.00  0.00           C  
HETATM   19  C   UNL     1       0.363  -3.135   0.497  1.00  0.00           C  
HETATM   20  C   UNL     1       0.929  -4.494   0.910  1.00  0.00           C  
HETATM   21  C   UNL     1       2.437  -4.519   0.651  1.00  0.00           C  
HETATM   22  C   UNL     1       2.702  -4.288  -0.839  1.00  0.00           C  
HETATM   23  C   UNL     1       2.135  -2.928  -1.252  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.094   2.765  -2.504  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.764   3.243  -1.242  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.269   3.375  -1.482  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.949   3.862  -0.201  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.455   3.993  -0.441  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.135   4.479   0.840  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.640   4.611   0.600  1.00  0.00           C  
HETATM   31  C   UNL     1     -11.320   5.098   1.881  1.00  0.00           C  
HETATM   32  C   UNL     1     -12.803   5.227   1.645  1.00  0.00           C  
HETATM   33  C   UNL     1     -13.648   4.602   2.426  1.00  0.00           C  
HETATM   34  C   UNL     1     -15.131   4.733   2.190  1.00  0.00           C  
HETATM   35  C   UNL     1     -15.747   3.340   2.038  1.00  0.00           C  
HETATM   36  C   UNL     1     -17.252   3.472   1.798  1.00  0.00           C  
HETATM   37  C   UNL     1     -17.869   2.080   1.647  1.00  0.00           C  
HETATM   38  C   UNL     1     -19.374   2.212   1.406  1.00  0.00           C  
HETATM   39  C   UNL     1     -19.990   0.820   1.255  1.00  0.00           C  
HETATM   40  O   UNL     1       1.788   3.197  -3.651  1.00  0.00           O  
HETATM   41  O   UNL     1       0.068   2.056  -2.861  1.00  0.00           O  
HETATM   42  O   UNL     1      -1.296   0.104  -2.776  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.586  -2.109  -3.761  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.400  -2.155  -2.007  1.00  0.00           O  
HETATM   45  O   UNL     1       0.099  -1.633  -1.379  1.00  0.00           O  
HETATM   46  O   UNL     1       0.994  -2.104   1.259  1.00  0.00           O  
HETATM   47  O   UNL     1       0.682  -4.710   2.301  1.00  0.00           O  
HETATM   48  O   UNL     1      -0.148  -5.952   4.465  1.00  0.00           O  
HETATM   49  O   UNL     1      -1.709  -5.803   2.355  1.00  0.00           O  
HETATM   50  O   UNL     1       0.382  -7.216   2.346  1.00  0.00           O  
HETATM   51  O   UNL     1       2.966  -5.789   1.037  1.00  0.00           O  
HETATM   52  O   UNL     1       4.548  -7.504   2.249  1.00  0.00           O  
HETATM   53  O   UNL     1       5.272  -5.124   1.819  1.00  0.00           O  
HETATM   54  O   UNL     1       3.513  -5.495   3.592  1.00  0.00           O  
HETATM   55  O   UNL     1       4.110  -4.311  -1.081  1.00  0.00           O  
HETATM   56  O   UNL     1       4.639  -6.855  -1.485  1.00  0.00           O  
HETATM   57  O   UNL     1       4.174  -5.287  -3.408  1.00  0.00           O  
HETATM   58  O   UNL     1       6.378  -5.019  -2.207  1.00  0.00           O  
HETATM   59  O   UNL     1       2.383  -2.712  -2.643  1.00  0.00           O  
HETATM   60  O   UNL     1      -2.765   2.576  -2.529  1.00  0.00           O  
HETATM   61  O   UNL     1      -4.753   2.551  -3.494  1.00  0.00           O  
HETATM   62  P   UNL     1      -1.036  -1.463  -2.508  1.00  0.00           P  
HETATM   63  P   UNL     1      -0.186  -5.948   2.855  1.00  0.00           P  
HETATM   64  P   UNL     1       4.100  -5.960   2.167  1.00  0.00           P  
HETATM   65  P   UNL     1       4.811  -5.366  -2.075  1.00  0.00           P  
HETATM   66  H   UNL     1      11.174   2.308  -0.276  1.00  0.00           H  
HETATM   67  H   UNL     1       6.985   0.760  -0.106  1.00  0.00           H  
HETATM   68  H   UNL     1       6.581   2.117   0.972  1.00  0.00           H  
HETATM   69  H   UNL     1       4.647   0.764  -0.987  1.00  0.00           H  
HETATM   70  H   UNL     1       4.243   2.121   0.091  1.00  0.00           H  
HETATM   71  H   UNL     1       2.309   0.767  -1.868  1.00  0.00           H  
HETATM   72  H   UNL     1       1.905   2.124  -0.790  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.354   2.368  -4.880  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.758   3.725  -3.802  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.785   2.481  -4.612  1.00  0.00           H  
HETATM   76  H   UNL     1      13.775   7.226   3.078  1.00  0.00           H  
HETATM   77  H   UNL     1      14.375   5.511   0.625  1.00  0.00           H  
HETATM   78  H   UNL     1      14.772   5.090   2.308  1.00  0.00           H  
HETATM   79  H   UNL     1      12.365   5.172   2.897  1.00  0.00           H  
HETATM   80  H   UNL     1      11.967   5.593   1.214  1.00  0.00           H  
HETATM   81  H   UNL     1      12.964   3.457   0.444  1.00  0.00           H  
HETATM   82  H   UNL     1      13.361   3.036   2.127  1.00  0.00           H  
HETATM   83  H   UNL     1      10.778   3.110   2.624  1.00  0.00           H  
HETATM   84  H   UNL     1       9.323   0.756   0.774  1.00  0.00           H  
HETATM   85  H   UNL     1       8.919   2.113   1.853  1.00  0.00           H  
HETATM   86  H   UNL     1       8.732   2.144  -1.193  1.00  0.00           H  
HETATM   87  H   UNL     1       8.328   3.501  -0.115  1.00  0.00           H  
HETATM   88  H   UNL     1       5.990   3.505  -0.996  1.00  0.00           H  
HETATM   89  H   UNL     1       6.394   2.148  -2.074  1.00  0.00           H  
HETATM   90  H   UNL     1       3.652   3.509  -1.877  1.00  0.00           H  
HETATM   91  H   UNL     1       4.056   2.152  -2.955  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.179   0.207  -3.619  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.821   0.236  -4.769  1.00  0.00           H  
HETATM   94  H   UNL     1       0.146  -3.690  -1.573  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.711  -3.117   0.682  1.00  0.00           H  
HETATM   96  H   UNL     1       0.447  -5.281   0.329  1.00  0.00           H  
HETATM   97  H   UNL     1       2.919  -3.733   1.232  1.00  0.00           H  
HETATM   98  H   UNL     1       2.220  -5.074  -1.420  1.00  0.00           H  
HETATM   99  H   UNL     1       2.617  -2.142  -0.671  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.585   2.526  -0.441  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.355   4.213  -0.959  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.448   4.093  -2.283  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.678   2.406  -1.765  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.771   3.144   0.600  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.540   4.831   0.082  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.633   4.711  -1.242  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.864   3.024  -0.724  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.956   3.762   1.641  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.726   5.449   1.123  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.819   5.329  -0.201  1.00  0.00           H  
HETATM  111  H   UNL     1     -11.049   3.642   0.317  1.00  0.00           H  
HETATM  112  H   UNL     1     -11.142   4.380   2.682  1.00  0.00           H  
HETATM  113  H   UNL     1     -10.911   6.067   2.165  1.00  0.00           H  
HETATM  114  H   UNL     1     -13.168   5.836   0.831  1.00  0.00           H  
HETATM  115  H   UNL     1     -13.283   3.994   3.240  1.00  0.00           H  
HETATM  116  H   UNL     1     -15.590   5.243   3.036  1.00  0.00           H  
HETATM  117  H   UNL     1     -15.304   5.308   1.280  1.00  0.00           H  
HETATM  118  H   UNL     1     -15.288   2.830   1.192  1.00  0.00           H  
HETATM  119  H   UNL     1     -15.573   2.765   2.948  1.00  0.00           H  
HETATM  120  H   UNL     1     -17.712   3.983   2.644  1.00  0.00           H  
HETATM  121  H   UNL     1     -17.426   4.047   0.889  1.00  0.00           H  
HETATM  122  H   UNL     1     -17.409   1.569   0.800  1.00  0.00           H  
HETATM  123  H   UNL     1     -17.695   1.505   2.556  1.00  0.00           H  
HETATM  124  H   UNL     1     -19.833   2.723   2.253  1.00  0.00           H  
HETATM  125  H   UNL     1     -19.548   2.787   0.497  1.00  0.00           H  
HETATM  126  H   UNL     1     -19.531   0.309   0.409  1.00  0.00           H  
HETATM  127  H   UNL     1     -19.816   0.245   2.164  1.00  0.00           H  
HETATM  128  H   UNL     1      -2.754  -1.781  -1.189  1.00  0.00           H  
HETATM  129  H   UNL     1       0.683  -1.213   1.049  1.00  0.00           H  
HETATM  130  H   UNL     1      -0.651  -6.672   4.869  1.00  0.00           H  
HETATM  131  H   UNL     1      -2.145  -4.993   2.652  1.00  0.00           H  
HETATM  132  H   UNL     1       5.231  -7.681   2.910  1.00  0.00           H  
HETATM  133  H   UNL     1       2.742  -6.000   3.883  1.00  0.00           H  
HETATM  134  H   UNL     1       5.033  -6.980  -0.611  1.00  0.00           H  
HETATM  135  H   UNL     1       6.865  -5.616  -2.792  1.00  0.00           H  
HETATM  136  H   UNL     1       2.050  -1.867  -2.975  1.00  0.00           H  
HETATM  137  C   UNL     1     -21.495   0.952   1.015  1.00  0.00           C  
HETATM  138  C   UNL     1     -22.112  -0.440   0.863  1.00  0.00           C  
HETATM  139  C   UNL     1      15.484   7.681   1.847  1.00  0.00           C  
HETATM  140  C   UNL     1      15.487   9.165   2.218  1.00  0.00           C  
HETATM  141  C   UNL     1      16.895   9.735   2.029  1.00  0.00           C  
HETATM  142  C   UNL     1      16.898  11.219   2.399  1.00  0.00           C  
HETATM  143  H   UNL     1      13.378   7.647   1.395  1.00  0.00           H  
HETATM  144  H   UNL     1     -21.955   1.462   1.861  1.00  0.00           H  
HETATM  145  H   UNL     1     -21.669   1.527   0.105  1.00  0.00           H  
HETATM  146  H   UNL     1     -23.184  -0.346   0.692  1.00  0.00           H  
HETATM  147  H   UNL     1     -21.652  -0.951   0.017  1.00  0.00           H  
HETATM  148  H   UNL     1     -21.938  -1.015   1.773  1.00  0.00           H  
HETATM  149  H   UNL     1      16.183   7.144   2.490  1.00  0.00           H  
HETATM  150  H   UNL     1      15.786   7.565   0.806  1.00  0.00           H  
HETATM  151  H   UNL     1      14.789   9.701   1.576  1.00  0.00           H  
HETATM  152  H   UNL     1      15.186   9.280   3.259  1.00  0.00           H  
HETATM  153  H   UNL     1      17.593   9.198   2.671  1.00  0.00           H  
HETATM  154  H   UNL     1      17.196   9.619   0.987  1.00  0.00           H  
HETATM  155  H   UNL     1      16.199  11.755   1.757  1.00  0.00           H  
HETATM  156  H   UNL     1      16.597  11.334   3.440  1.00  0.00           H  
HETATM  157  H   UNL     1      17.901  11.625   2.264  1.00  0.00           H  
CONECT    1   12   11   11   66                                       
CONECT    2   14   13   67   68                                       
CONECT    3   15   14   69   70                                       
CONECT    4   16   15   71   72                                       
CONECT    5   41    6   73   74                                       
CONECT    6    5   60   17   75                                       
CONECT    7    8   76  139  143                                       
CONECT    8    9    7   77   78                                       
CONECT    9   10    8   79   80                                       
CONECT   10   11    9   81   82                                       
CONECT   11    1    1   10   83                                       
CONECT   12   13    1   84   85                                       
CONECT   13    2   12   86   87                                       
CONECT   14    3    2   88   89                                       
CONECT   15    4    3   90   91                                       
CONECT   16    4   41   40   40                                       
CONECT   17    6   42   92   93                                       
CONECT   18   23   45   19   94                                       
CONECT   19   18   20   46   95                                       
CONECT   20   21   19   47   96                                       
CONECT   21   22   51   20   97                                       
CONECT   22   55   23   21   98                                       
CONECT   23   59   22   18   99                                       
CONECT   24   61   61   60   25                                       
CONECT   25   24   26  100  101                                       
CONECT   26   25   27  102  103                                       
CONECT   27   26   28  104  105                                       
CONECT   28   27   29  106  107                                       
CONECT   29   28   30  108  109                                       
CONECT   30   29   31  110  111                                       
CONECT   31   30   32  112  113                                       
CONECT   32   31   33   33  114                                       
CONECT   33   32   32   34  115                                       
CONECT   34   33   35  116  117                                       
CONECT   35   36   34  118  119                                       
CONECT   36   35   37  120  121                                       
CONECT   37   36   38  122  123                                       
CONECT   38   37   39  124  125                                       
CONECT   39   38  126  127  137                                       
CONECT   40   16   16                                                 
CONECT   41    5   16                                                 
CONECT   42   17   62                                                 
CONECT   43   62   62                                                 
CONECT   44   62  128                                                 
CONECT   45   18   62                                                 
CONECT   46   19  129                                                 
CONECT   47   20   63                                                 
CONECT   48   63  130                                                 
CONECT   49   63  131                                                 
CONECT   50   63   63                                                 
CONECT   51   64   21                                                 
CONECT   52   64  132                                                 
CONECT   53   64   64                                                 
CONECT   54   64  133                                                 
CONECT   55   65   22                                                 
CONECT   56   65  134                                                 
CONECT   57   65   65                                                 
CONECT   58   65  135                                                 
CONECT   59   23  136                                                 
CONECT   60    6   24                                                 
CONECT   61   24   24                                                 
CONECT   62   42   45   43   43                                       
CONECT   62   44                                                      
CONECT   63   50   50   47   48                                       
CONECT   63   49                                                      
CONECT   64   53   53   51   52                                       
CONECT   64   54                                                      
CONECT   65   57   57   56   58                                       
CONECT   65   55                                                      
CONECT   66    1                                                      
CONECT   67    2                                                      
CONECT   68    2                                                      
CONECT   69    3                                                      
CONECT   70    3                                                      
CONECT   71    4                                                      
CONECT   72    4                                                      
CONECT   73    5                                                      
CONECT   74    5                                                      
CONECT   75    6                                                      
CONECT   76    7                                                      
CONECT   77    8                                                      
CONECT   78    8                                                      
CONECT   79    9                                                      
CONECT   80    9                                                      
CONECT   81   10                                                      
CONECT   82   10                                                      
CONECT   83   11                                                      
CONECT   84   12                                                      
CONECT   85   12                                                      
CONECT   86   13                                                      
CONECT   87   13                                                      
CONECT   88   14                                                      
CONECT   89   14                                                      
CONECT   90   15                                                      
CONECT   91   15                                                      
CONECT   92   17                                                      
CONECT   93   17                                                      
CONECT   94   18                                                      
CONECT   95   19                                                      
CONECT   96   20                                                      
CONECT   97   21                                                      
CONECT   98   22                                                      
CONECT   99   23                                                      
CONECT  100   25                                                      
CONECT  101   25                                                      
CONECT  102   26                                                      
CONECT  103   26                                                      
CONECT  104   27                                                      
CONECT  105   27                                                      
CONECT  106   28                                                      
CONECT  107   28                                                      
CONECT  108   29                                                      
CONECT  109   29                                                      
CONECT  110   30                                                      
CONECT  111   30                                                      
CONECT  112   31                                                      
CONECT  113   31                                                      
CONECT  114   32                                                      
CONECT  115   33                                                      
CONECT  116   34                                                      
CONECT  117   34                                                      
CONECT  118   35                                                      
CONECT  119   35                                                      
CONECT  120   36                                                      
CONECT  121   36                                                      
CONECT  122   37                                                      
CONECT  123   37                                                      
CONECT  124   38                                                      
CONECT  125   38                                                      
CONECT  126   39                                                      
CONECT  127   39                                                      
CONECT  128   44                                                      
CONECT  129   46                                                      
CONECT  130   48                                                      
CONECT  131   49                                                      
CONECT  132   52                                                      
CONECT  133   54                                                      
CONECT  134   56                                                      
CONECT  135   58                                                      
CONECT  136   59                                                      
CONECT  137   39  138  144  145                                       
CONECT  138  137  146  147  148                                       
CONECT  139    7  140  149  150                                       
CONECT  140  139  141  151  152                                       
CONECT  141  140  142  153  154                                       
CONECT  142  141  155  156  157                                       
CONECT  143    7                                                      
CONECT  144  137                                                      
CONECT  145  137                                                      
CONECT  146  138                                                      
CONECT  147  138                                                      
CONECT  148  138                                                      
CONECT  149  139                                                      
CONECT  150  139                                                      
CONECT  151  140                                                      
CONECT  152  140                                                      
CONECT  153  141                                                      
CONECT  154  141                                                      
CONECT  155  142                                                      
CONECT  156  142                                                      
CONECT  157  142                                                      
MASTER        0    0    0    0    0    0    0    0  157    0  157    0
END
