COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.399  -1.006  -1.502  1.00  0.00           C  
HETATM    2  C   UNL     1       3.659  -1.373  -2.790  1.00  0.00           C  
HETATM    3  C   UNL     1       3.871  -0.575   0.819  1.00  0.00           C  
HETATM    4  O   UNL     1       3.446  -0.891  -0.413  1.00  0.00           O  
HETATM    5  O   UNL     1       5.047  -0.387   1.023  1.00  0.00           O  
HETATM    6  C   UNL     1       2.882  -0.455   1.950  1.00  0.00           C  
HETATM    7  C   UNL     1       3.622  -0.089   3.238  1.00  0.00           C  
HETATM    8  C   UNL     1       2.618   0.032   4.386  1.00  0.00           C  
HETATM    9  C   UNL     1       3.358   0.398   5.674  1.00  0.00           C  
HETATM   10  C   UNL     1       2.353   0.520   6.822  1.00  0.00           C  
HETATM   11  C   UNL     1       3.093   0.886   8.110  1.00  0.00           C  
HETATM   12  C   UNL     1       2.104   1.006   9.241  1.00  0.00           C  
HETATM   13  C   UNL     1       2.214   0.232  10.292  1.00  0.00           C  
HETATM   14  C   UNL     1       1.225   0.352  11.423  1.00  0.00           C  
HETATM   15  C   UNL     1       0.503  -0.983  11.612  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.485  -0.863  12.743  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.760  -1.067  12.522  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.749  -0.948  13.653  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.771   0.142  13.324  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.760   0.261  14.454  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.885   1.396  15.098  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.874   1.515  16.229  1.00  0.00           C  
HETATM   23  C   UNL     1       4.663  -1.494  -3.938  1.00  0.00           C  
HETATM   24  O   UNL     1       5.338  -0.247  -4.115  1.00  0.00           O  
HETATM   25  C   UNL     1       1.561  -0.652  -3.759  1.00  0.00           C  
HETATM   26  O   UNL     1       2.689  -0.338  -3.103  1.00  0.00           O  
HETATM   27  O   UNL     1       1.352  -1.795  -4.089  1.00  0.00           O  
HETATM   28  C   UNL     1       0.555   0.422  -4.083  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.629  -0.197  -4.827  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.651   0.893  -5.157  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.835   0.274  -5.901  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.857   1.364  -6.230  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.042   0.745  -6.974  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.063   1.836  -7.304  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.230   1.226  -8.037  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.436   1.306  -7.531  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.603   0.696  -8.264  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.249  -0.351  -7.395  1.00  0.00           C  
HETATM   39  C   UNL     1     -11.506  -0.228  -7.046  1.00  0.00           C  
HETATM   40  C   UNL     1     -12.152  -1.276  -6.177  1.00  0.00           C  
HETATM   41  C   UNL     1     -12.645  -0.631  -4.881  1.00  0.00           C  
HETATM   42  C   UNL     1     -13.302  -1.695  -3.999  1.00  0.00           C  
HETATM   43  P   UNL     1       6.373  -0.447  -5.332  1.00  0.00           P  
HETATM   44  O   UNL     1       7.418  -1.614  -4.962  1.00  0.00           O  
HETATM   45  O   UNL     1       5.630  -0.820  -6.556  1.00  0.00           O  
HETATM   46  O   UNL     1       7.172   0.927  -5.587  1.00  0.00           O  
HETATM   47  C   UNL     1       8.070   0.687  -6.672  1.00  0.00           C  
HETATM   48  C   UNL     1       8.865   1.960  -6.968  1.00  0.00           C  
HETATM   49  N   UNL     1       9.631   2.348  -5.775  1.00  0.00           N  
HETATM   50  H   UNL     1       5.126  -1.783  -1.268  1.00  0.00           H  
HETATM   51  H   UNL     1       4.913  -0.055  -1.637  1.00  0.00           H  
HETATM   52  H   UNL     1       3.144  -2.324  -2.656  1.00  0.00           H  
HETATM   53  H   UNL     1       2.154   0.320   1.716  1.00  0.00           H  
HETATM   54  H   UNL     1       2.367  -1.407   2.085  1.00  0.00           H  
HETATM   55  H   UNL     1       4.350  -0.866   3.473  1.00  0.00           H  
HETATM   56  H   UNL     1       4.137   0.861   3.104  1.00  0.00           H  
HETATM   57  H   UNL     1       1.890   0.808   4.152  1.00  0.00           H  
HETATM   58  H   UNL     1       2.103  -0.919   4.521  1.00  0.00           H  
HETATM   59  H   UNL     1       4.085  -0.378   5.909  1.00  0.00           H  
HETATM   60  H   UNL     1       3.872   1.349   5.540  1.00  0.00           H  
HETATM   61  H   UNL     1       1.626   1.296   6.588  1.00  0.00           H  
HETATM   62  H   UNL     1       1.839  -0.431   6.957  1.00  0.00           H  
HETATM   63  H   UNL     1       3.821   0.109   8.345  1.00  0.00           H  
HETATM   64  H   UNL     1       3.608   1.837   7.976  1.00  0.00           H  
HETATM   65  H   UNL     1       1.304   1.729   9.185  1.00  0.00           H  
HETATM   66  H   UNL     1       3.014  -0.491  10.349  1.00  0.00           H  
HETATM   67  H   UNL     1       1.752   0.613  12.341  1.00  0.00           H  
HETATM   68  H   UNL     1       0.498   1.128  11.188  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.023  -1.244  10.694  1.00  0.00           H  
HETATM   70  H   UNL     1       1.231  -1.760  11.847  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.143  -0.609  13.735  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.103  -1.322  11.530  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.264  -1.899  13.788  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.222  -0.687  14.570  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.256   1.093  13.189  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.298  -0.118  12.406  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.366  -0.587  14.734  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.279   2.245  14.818  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.836   2.524  16.639  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.878   1.312  15.856  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.623   0.796  17.008  1.00  0.00           H  
HETATM   82  H   UNL     1       5.391  -2.271  -3.704  1.00  0.00           H  
HETATM   83  H   UNL     1       4.136  -1.755  -4.856  1.00  0.00           H  
HETATM   84  H   UNL     1       1.022   1.180  -4.711  1.00  0.00           H  
HETATM   85  H   UNL     1       0.203   0.881  -3.159  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.097  -0.955  -4.199  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.278  -0.656  -5.751  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.183   1.651  -5.785  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.002   1.353  -4.233  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.303  -0.483  -5.273  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.484  -0.185  -6.825  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.389   2.123  -6.858  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.208   1.824  -5.306  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.509  -0.012  -6.346  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.690   0.286  -7.898  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.596   2.594  -7.932  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.414   2.295  -6.380  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.073   0.723  -8.979  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.593   1.809  -6.588  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.251   0.237  -9.188  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.331   1.473  -8.498  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.677  -1.204  -7.061  1.00  0.00           H  
HETATM  103  H   UNL     1     -12.078   0.624  -7.380  1.00  0.00           H  
HETATM  104  H   UNL     1     -11.425  -2.053  -5.943  1.00  0.00           H  
HETATM  105  H   UNL     1     -12.996  -1.717  -6.708  1.00  0.00           H  
HETATM  106  H   UNL     1     -13.373   0.145  -5.115  1.00  0.00           H  
HETATM  107  H   UNL     1     -11.801  -0.190  -4.350  1.00  0.00           H  
HETATM  108  H   UNL     1     -13.653  -1.236  -3.075  1.00  0.00           H  
HETATM  109  H   UNL     1     -14.146  -2.136  -4.529  1.00  0.00           H  
HETATM  110  H   UNL     1     -12.574  -2.472  -3.764  1.00  0.00           H  
HETATM  111  H   UNL     1       7.880  -1.332  -4.160  1.00  0.00           H  
HETATM  112  H   UNL     1       8.757  -0.115  -6.405  1.00  0.00           H  
HETATM  113  H   UNL     1       7.502   0.400  -7.557  1.00  0.00           H  
HETATM  114  H   UNL     1       9.550   1.777  -7.796  1.00  0.00           H  
HETATM  115  H   UNL     1       8.178   2.763  -7.235  1.00  0.00           H  
HETATM  116  H   UNL     1      10.136   3.187  -6.015  1.00  0.00           H  
HETATM  117  H   UNL     1       8.957   2.606  -5.070  1.00  0.00           H  
CONECT    1    2    4   50   51                                       
CONECT    2    1   23   26   52                                       
CONECT    3    4    5    5    6                                       
CONECT    4    1    3                                                 
CONECT    5    3    3                                                 
CONECT    6    3    7   53   54                                       
CONECT    7    6    8   55   56                                       
CONECT    8    7    9   57   58                                       
CONECT    9    8   10   59   60                                       
CONECT   10    9   11   61   62                                       
CONECT   11   10   12   63   64                                       
CONECT   12   11   13   13   65                                       
CONECT   13   12   12   14   66                                       
CONECT   14   13   15   67   68                                       
CONECT   15   14   16   69   70                                       
CONECT   16   15   17   17   71                                       
CONECT   17   16   16   18   72                                       
CONECT   18   17   19   73   74                                       
CONECT   19   18   20   75   76                                       
CONECT   20   19   21   21   77                                       
CONECT   21   20   20   22   78                                       
CONECT   22   21   79   80   81                                       
CONECT   23    2   24   82   83                                       
CONECT   24   23   43                                                 
CONECT   25   26   27   27   28                                       
CONECT   26    2   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29   84   85                                       
CONECT   29   28   30   86   87                                       
CONECT   30   29   31   88   89                                       
CONECT   31   30   32   90   91                                       
CONECT   32   31   33   92   93                                       
CONECT   33   32   34   94   95                                       
CONECT   34   33   35   96   97                                       
CONECT   35   34   36   36   98                                       
CONECT   36   35   35   37   99                                       
CONECT   37   36   38  100  101                                       
CONECT   38   37   39   39  102                                       
CONECT   39   38   38   40  103                                       
CONECT   40   39   41  104  105                                       
CONECT   41   40   42  106  107                                       
CONECT   42   41  108  109  110                                       
CONECT   43   24   44   45   45                                       
CONECT   43   46                                                      
CONECT   44   43  111                                                 
CONECT   45   43   43                                                 
CONECT   46   43   47                                                 
CONECT   47   46   48  112  113                                       
CONECT   48   47   49  114  115                                       
CONECT   49   48  116  117                                            
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   28                                                      
CONECT   85   28                                                      
CONECT   86   29                                                      
CONECT   87   29                                                      
CONECT   88   30                                                      
CONECT   89   30                                                      
CONECT   90   31                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   32                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   34                                                      
CONECT   98   35                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   40                                                      
CONECT  105   40                                                      
CONECT  106   41                                                      
CONECT  107   41                                                      
CONECT  108   42                                                      
CONECT  109   42                                                      
CONECT  110   42                                                      
CONECT  111   44                                                      
CONECT  112   47                                                      
CONECT  113   47                                                      
CONECT  114   48                                                      
CONECT  115   48                                                      
CONECT  116   49                                                      
CONECT  117   49                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
