COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.712   0.288   0.952  1.00  0.00           O  
HETATM    2  P   UNL     1      -5.976  -1.140   1.038  1.00  0.00           P  
HETATM    3  O   UNL     1      -5.853  -1.588   2.580  1.00  0.00           O  
HETATM    4  O   UNL     1      -6.765  -2.147   0.293  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.505  -1.027   0.393  1.00  0.00           O  
HETATM    6  C   UNL     1      -3.907  -2.320   0.499  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.499  -2.281  -0.098  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.693  -1.314   0.624  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.582  -1.877  -1.571  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.246  -1.840  -2.139  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.983  -1.699   1.696  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.016  -2.851   2.060  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.074  -1.507  -3.428  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.030  -1.239  -4.116  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.146  -0.695   2.446  1.00  0.00           C  
HETATM   16  C   UNL     1       0.554  -1.388   3.616  1.00  0.00           C  
HETATM   17  C   UNL     1       0.312  -1.469  -4.017  1.00  0.00           C  
HETATM   18  C   UNL     1       0.229  -1.065  -5.490  1.00  0.00           C  
HETATM   19  C   UNL     1       1.404  -0.369   4.378  1.00  0.00           C  
HETATM   20  C   UNL     1       2.105  -1.062   5.548  1.00  0.00           C  
HETATM   21  C   UNL     1       2.955  -0.043   6.309  1.00  0.00           C  
HETATM   22  C   UNL     1       3.656  -0.736   7.479  1.00  0.00           C  
HETATM   23  C   UNL     1       4.505   0.282   8.241  1.00  0.00           C  
HETATM   24  C   UNL     1       5.206  -0.410   9.411  1.00  0.00           C  
HETATM   25  C   UNL     1       6.056   0.608  10.172  1.00  0.00           C  
HETATM   26  C   UNL     1       6.757  -0.084  11.342  1.00  0.00           C  
HETATM   27  C   UNL     1       7.607   0.935  12.104  1.00  0.00           C  
HETATM   28  C   UNL     1       8.308   0.241  13.274  1.00  0.00           C  
HETATM   29  C   UNL     1       9.158   1.261  14.035  1.00  0.00           C  
HETATM   30  C   UNL     1       9.859   0.568  15.205  1.00  0.00           C  
HETATM   31  C   UNL     1      10.709   1.587  15.967  1.00  0.00           C  
HETATM   32  C   UNL     1      11.410   0.894  17.137  1.00  0.00           C  
HETATM   33  C   UNL     1       1.637  -1.026  -6.089  1.00  0.00           C  
HETATM   34  C   UNL     1       1.554  -0.622  -7.562  1.00  0.00           C  
HETATM   35  C   UNL     1       2.962  -0.583  -8.160  1.00  0.00           C  
HETATM   36  C   UNL     1       2.879  -0.179  -9.633  1.00  0.00           C  
HETATM   37  C   UNL     1       4.286  -0.140 -10.232  1.00  0.00           C  
HETATM   38  C   UNL     1       4.203   0.264 -11.705  1.00  0.00           C  
HETATM   39  C   UNL     1       5.611   0.302 -12.303  1.00  0.00           C  
HETATM   40  C   UNL     1       5.528   0.707 -13.776  1.00  0.00           C  
HETATM   41  C   UNL     1       6.936   0.746 -14.374  1.00  0.00           C  
HETATM   42  C   UNL     1       6.853   1.150 -15.848  1.00  0.00           C  
HETATM   43  C   UNL     1       8.261   1.189 -16.446  1.00  0.00           C  
HETATM   44  C   UNL     1       8.178   1.593 -17.919  1.00  0.00           C  
HETATM   45  C   UNL     1       9.586   1.632 -18.517  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.005   0.123   1.537  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.147   1.066   2.734  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.980   2.513   2.266  1.00  0.00           C  
HETATM   49  C   UNL     1      -9.055   2.841   1.228  1.00  0.00           C  
HETATM   50  C   UNL     1      -8.913   1.898   0.031  1.00  0.00           C  
HETATM   51  C   UNL     1      -9.080   0.451   0.499  1.00  0.00           C  
HETATM   52  O   UNL     1      -9.441   0.901   3.319  1.00  0.00           O  
HETATM   53  O   UNL     1      -8.113   3.394   3.383  1.00  0.00           O  
HETATM   54  O   UNL     1      -8.899   4.192   0.791  1.00  0.00           O  
HETATM   55  O   UNL     1      -9.917   2.204  -0.938  1.00  0.00           O  
HETATM   56  O   UNL     1      -8.947  -0.428  -0.618  1.00  0.00           O  
HETATM   57  H   UNL     1      -5.333  -0.907   3.028  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.512  -3.046  -0.042  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.848  -2.608   1.549  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.043  -3.268  -0.017  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.188  -2.603  -2.114  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.039  -0.890  -1.652  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.787   0.100   2.826  1.00  0.00           H  
HETATM   64  H   UNL     1       0.600  -0.271   1.775  1.00  0.00           H  
HETATM   65  H   UNL     1       1.195  -2.184   3.236  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.192  -1.813   4.287  1.00  0.00           H  
HETATM   67  H   UNL     1       0.917  -0.743  -3.475  1.00  0.00           H  
HETATM   68  H   UNL     1       0.769  -2.456  -3.936  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.375  -1.791  -6.033  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.227  -0.078  -5.571  1.00  0.00           H  
HETATM   71  H   UNL     1       0.763   0.426   4.758  1.00  0.00           H  
HETATM   72  H   UNL     1       2.150   0.054   3.707  1.00  0.00           H  
HETATM   73  H   UNL     1       2.746  -1.858   5.168  1.00  0.00           H  
HETATM   74  H   UNL     1       1.358  -1.486   6.219  1.00  0.00           H  
HETATM   75  H   UNL     1       2.314   0.752   6.689  1.00  0.00           H  
HETATM   76  H   UNL     1       3.701   0.381   5.638  1.00  0.00           H  
HETATM   77  H   UNL     1       4.296  -1.532   7.099  1.00  0.00           H  
HETATM   78  H   UNL     1       2.909  -1.160   8.150  1.00  0.00           H  
HETATM   79  H   UNL     1       3.865   1.078   8.621  1.00  0.00           H  
HETATM   80  H   UNL     1       5.252   0.707   7.570  1.00  0.00           H  
HETATM   81  H   UNL     1       5.847  -1.205   9.031  1.00  0.00           H  
HETATM   82  H   UNL     1       4.460  -0.834  10.082  1.00  0.00           H  
HETATM   83  H   UNL     1       5.415   1.404  10.553  1.00  0.00           H  
HETATM   84  H   UNL     1       6.803   1.033   9.501  1.00  0.00           H  
HETATM   85  H   UNL     1       7.398  -0.879  10.962  1.00  0.00           H  
HETATM   86  H   UNL     1       6.011  -0.508  12.014  1.00  0.00           H  
HETATM   87  H   UNL     1       6.966   1.730  12.484  1.00  0.00           H  
HETATM   88  H   UNL     1       8.354   1.359  11.433  1.00  0.00           H  
HETATM   89  H   UNL     1       8.949  -0.553  12.894  1.00  0.00           H  
HETATM   90  H   UNL     1       7.561  -0.182  13.945  1.00  0.00           H  
HETATM   91  H   UNL     1       8.517   2.056  14.416  1.00  0.00           H  
HETATM   92  H   UNL     1       9.905   1.685  13.364  1.00  0.00           H  
HETATM   93  H   UNL     1      10.500  -0.227  14.825  1.00  0.00           H  
HETATM   94  H   UNL     1       9.112   0.143  15.877  1.00  0.00           H  
HETATM   95  H   UNL     1      10.068   2.382  16.347  1.00  0.00           H  
HETATM   96  H   UNL     1      11.456   2.011  15.296  1.00  0.00           H  
HETATM   97  H   UNL     1      12.015   1.620  17.680  1.00  0.00           H  
HETATM   98  H   UNL     1      10.663   0.469  17.808  1.00  0.00           H  
HETATM   99  H   UNL     1      12.051   0.098  16.757  1.00  0.00           H  
HETATM  100  H   UNL     1       2.242  -0.300  -5.546  1.00  0.00           H  
HETATM  101  H   UNL     1       2.093  -2.013  -6.008  1.00  0.00           H  
HETATM  102  H   UNL     1       0.949  -1.348  -8.104  1.00  0.00           H  
HETATM  103  H   UNL     1       1.097   0.364  -7.643  1.00  0.00           H  
HETATM  104  H   UNL     1       3.567   0.142  -7.618  1.00  0.00           H  
HETATM  105  H   UNL     1       3.418  -1.569  -8.079  1.00  0.00           H  
HETATM  106  H   UNL     1       2.273  -0.905 -10.176  1.00  0.00           H  
HETATM  107  H   UNL     1       2.422   0.807  -9.714  1.00  0.00           H  
HETATM  108  H   UNL     1       4.892   0.585  -9.689  1.00  0.00           H  
HETATM  109  H   UNL     1       4.743  -1.126 -10.151  1.00  0.00           H  
HETATM  110  H   UNL     1       3.598  -0.462 -12.247  1.00  0.00           H  
HETATM  111  H   UNL     1       3.747   1.250 -11.786  1.00  0.00           H  
HETATM  112  H   UNL     1       6.217   1.029 -11.760  1.00  0.00           H  
HETATM  113  H   UNL     1       6.068  -0.683 -12.222  1.00  0.00           H  
HETATM  114  H   UNL     1       4.923  -0.018 -14.319  1.00  0.00           H  
HETATM  115  H   UNL     1       5.072   1.693 -13.857  1.00  0.00           H  
HETATM  116  H   UNL     1       7.541   1.472 -13.832  1.00  0.00           H  
HETATM  117  H   UNL     1       7.392  -0.240 -14.294  1.00  0.00           H  
HETATM  118  H   UNL     1       6.248   0.424 -16.390  1.00  0.00           H  
HETATM  119  H   UNL     1       6.397   2.136 -15.929  1.00  0.00           H  
HETATM  120  H   UNL     1       8.866   1.915 -15.903  1.00  0.00           H  
HETATM  121  H   UNL     1       8.717   0.202 -16.365  1.00  0.00           H  
HETATM  122  H   UNL     1       7.572   0.867 -18.462  1.00  0.00           H  
HETATM  123  H   UNL     1       7.721   2.580 -18.000  1.00  0.00           H  
HETATM  124  H   UNL     1       9.527   1.920 -19.567  1.00  0.00           H  
HETATM  125  H   UNL     1      10.191   2.358 -17.975  1.00  0.00           H  
HETATM  126  H   UNL     1      10.042   0.645 -18.436  1.00  0.00           H  
HETATM  127  H   UNL     1      -8.124  -0.907   1.870  1.00  0.00           H  
HETATM  128  H   UNL     1      -7.382   0.833   3.473  1.00  0.00           H  
HETATM  129  H   UNL     1      -6.994   2.639   1.819  1.00  0.00           H  
HETATM  130  H   UNL     1     -10.042   2.715   1.674  1.00  0.00           H  
HETATM  131  H   UNL     1      -7.927   2.024  -0.415  1.00  0.00           H  
HETATM  132  H   UNL     1     -10.067   0.325   0.945  1.00  0.00           H  
HETATM  133  H   UNL     1      -9.489   1.511   4.067  1.00  0.00           H  
HETATM  134  H   UNL     1      -8.002   4.293   3.046  1.00  0.00           H  
HETATM  135  H   UNL     1      -9.594   4.357   0.139  1.00  0.00           H  
HETATM  136  H   UNL     1      -9.776   3.123  -1.206  1.00  0.00           H  
HETATM  137  H   UNL     1      -9.642  -0.189  -1.247  1.00  0.00           H  
CONECT    1    2   46                                                 
CONECT    2    1    3    4    4                                       
CONECT    2    5                                                      
CONECT    3    2   57                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7   58   59                                       
CONECT    7    6    8    9   60                                       
CONECT    8    7   11                                                 
CONECT    9    7   10   61   62                                       
CONECT   10    9   13                                                 
CONECT   11    8   12   12   15                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   14   17                                       
CONECT   14   13   13                                                 
CONECT   15   11   16   63   64                                       
CONECT   16   15   19   65   66                                       
CONECT   17   13   18   67   68                                       
CONECT   18   17   33   69   70                                       
CONECT   19   16   20   71   72                                       
CONECT   20   19   21   73   74                                       
CONECT   21   20   22   75   76                                       
CONECT   22   21   23   77   78                                       
CONECT   23   22   24   79   80                                       
CONECT   24   23   25   81   82                                       
CONECT   25   24   26   83   84                                       
CONECT   26   25   27   85   86                                       
CONECT   27   26   28   87   88                                       
CONECT   28   27   29   89   90                                       
CONECT   29   28   30   91   92                                       
CONECT   30   29   31   93   94                                       
CONECT   31   30   32   95   96                                       
CONECT   32   31   97   98   99                                       
CONECT   33   18   34  100  101                                       
CONECT   34   33   35  102  103                                       
CONECT   35   34   36  104  105                                       
CONECT   36   35   37  106  107                                       
CONECT   37   36   38  108  109                                       
CONECT   38   37   39  110  111                                       
CONECT   39   38   40  112  113                                       
CONECT   40   39   41  114  115                                       
CONECT   41   40   42  116  117                                       
CONECT   42   41   43  118  119                                       
CONECT   43   42   44  120  121                                       
CONECT   44   43   45  122  123                                       
CONECT   45   44  124  125  126                                       
CONECT   46    1   47   51  127                                       
CONECT   47   46   48   52  128                                       
CONECT   48   47   49   53  129                                       
CONECT   49   48   50   54  130                                       
CONECT   50   49   51   55  131                                       
CONECT   51   46   50   56  132                                       
CONECT   52   47  133                                                 
CONECT   53   48  134                                                 
CONECT   54   49  135                                                 
CONECT   55   50  136                                                 
CONECT   56   51  137                                                 
CONECT   57    3                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    7                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   26                                                      
CONECT   87   27                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   29                                                      
CONECT   92   29                                                      
CONECT   93   30                                                      
CONECT   94   30                                                      
CONECT   95   31                                                      
CONECT   96   31                                                      
CONECT   97   32                                                      
CONECT   98   32                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   33                                                      
CONECT  102   34                                                      
CONECT  103   34                                                      
CONECT  104   35                                                      
CONECT  105   35                                                      
CONECT  106   36                                                      
CONECT  107   36                                                      
CONECT  108   37                                                      
CONECT  109   37                                                      
CONECT  110   38                                                      
CONECT  111   38                                                      
CONECT  112   39                                                      
CONECT  113   39                                                      
CONECT  114   40                                                      
CONECT  115   40                                                      
CONECT  116   41                                                      
CONECT  117   41                                                      
CONECT  118   42                                                      
CONECT  119   42                                                      
CONECT  120   43                                                      
CONECT  121   43                                                      
CONECT  122   44                                                      
CONECT  123   44                                                      
CONECT  124   45                                                      
CONECT  125   45                                                      
CONECT  126   45                                                      
CONECT  127   46                                                      
CONECT  128   47                                                      
CONECT  129   48                                                      
CONECT  130   49                                                      
CONECT  131   50                                                      
CONECT  132   51                                                      
CONECT  133   52                                                      
CONECT  134   53                                                      
CONECT  135   54                                                      
CONECT  136   55                                                      
CONECT  137   56                                                      
MASTER        0    0    0    0    0    0    0    0  137    0  137    0
END
