COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.238  -8.688  -8.248  1.00  0.00           O  
HETATM    2  C   UNL     1       4.220  -7.982  -8.061  1.00  0.00           C  
HETATM    3  C   UNL     1       5.616  -8.336  -8.518  1.00  0.00           C  
HETATM    4  C   UNL     1       5.671  -9.695  -9.215  1.00  0.00           C  
HETATM    5  C   UNL     1       7.052 -10.101  -9.746  1.00  0.00           C  
HETATM    6  C   UNL     1       7.085 -11.495 -10.375  1.00  0.00           C  
HETATM    7  C   UNL     1       8.492 -11.846 -10.865  1.00  0.00           C  
HETATM    8  C   UNL     1       8.606 -13.264 -11.434  1.00  0.00           C  
HETATM    9  C   UNL     1      10.006 -13.692 -11.888  1.00  0.00           C  
HETATM   10  C   UNL     1      10.069 -15.125 -12.419  1.00  0.00           C  
HETATM   11  C   UNL     1      11.495 -15.507 -12.820  1.00  0.00           C  
HETATM   12  C   UNL     1      11.562 -16.953 -13.318  1.00  0.00           C  
HETATM   13  C   UNL     1      12.983 -17.327 -13.745  1.00  0.00           C  
HETATM   14  C   UNL     1      13.102 -18.757 -14.282  1.00  0.00           C  
HETATM   15  C   UNL     1      14.538 -19.155 -14.637  1.00  0.00           C  
HETATM   16  C   UNL     1      14.654 -20.583 -15.176  1.00  0.00           C  
HETATM   17  C   UNL     1      16.080 -20.998 -15.502  1.00  0.00           C  
HETATM   18  O   UNL     1       4.235  -6.778  -7.419  1.00  0.00           O  
HETATM   19  C   UNL     1       2.971  -6.321  -6.929  1.00  0.00           C  
HETATM   20  C   UNL     1       3.163  -4.974  -6.246  1.00  0.00           C  
HETATM   21  C   UNL     1       1.842  -4.419  -5.726  1.00  0.00           C  
HETATM   22  O   UNL     1       0.934  -4.240  -6.809  1.00  0.00           O  
HETATM   23  P   UNL     1      -0.538  -3.658  -6.483  1.00  0.00           P  
HETATM   24  O   UNL     1       3.697  -4.062  -7.209  1.00  0.00           O  
HETATM   25  C   UNL     1       3.952  -2.802  -6.749  1.00  0.00           C  
HETATM   26  O   UNL     1       3.764  -2.405  -5.607  1.00  0.00           O  
HETATM   27  C   UNL     1       4.470  -1.952  -7.888  1.00  0.00           C  
HETATM   28  C   UNL     1       5.403  -0.827  -7.436  1.00  0.00           C  
HETATM   29  C   UNL     1       6.719  -1.309  -6.813  1.00  0.00           C  
HETATM   30  C   UNL     1       7.635  -0.182  -6.334  1.00  0.00           C  
HETATM   31  C   UNL     1       8.911  -0.738  -5.697  1.00  0.00           C  
HETATM   32  C   UNL     1       9.844   0.388  -5.248  1.00  0.00           C  
HETATM   33  C   UNL     1      11.135  -0.167  -4.641  1.00  0.00           C  
HETATM   34  C   UNL     1      12.052   0.961  -4.163  1.00  0.00           C  
HETATM   35  C   UNL     1      13.347   0.460  -3.517  1.00  0.00           C  
HETATM   36  C   UNL     1      14.297   1.587  -3.105  1.00  0.00           C  
HETATM   37  C   UNL     1      15.603   1.030  -2.534  1.00  0.00           C  
HETATM   38  C   UNL     1      16.541   2.153  -2.092  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.294  -3.733  -7.913  1.00  0.00           O  
HETATM   40  O   UNL     1      -0.562  -2.296  -5.850  1.00  0.00           O  
HETATM   41  O   UNL     1      -1.215  -4.836  -5.603  1.00  0.00           O  
HETATM   42  C   UNL     1      -1.251  -6.162  -6.101  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.933  -7.065  -5.092  1.00  0.00           C  
HETATM   44  N   UNL     1      -1.933  -8.459  -5.603  1.00  0.00           N1+
HETATM   45  C   UNL     1      -0.500  -8.947  -5.856  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.589  -9.409  -4.591  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.711  -8.555  -6.922  1.00  0.00           C  
HETATM   48  C   UNL     1      17.825   1.603  -1.493  1.00  0.00           C  
HETATM   49  H   UNL     1       5.948  -7.547  -9.202  1.00  0.00           H  
HETATM   50  H   UNL     1       6.307  -8.317  -7.668  1.00  0.00           H  
HETATM   51  H   UNL     1       5.332 -10.471  -8.518  1.00  0.00           H  
HETATM   52  H   UNL     1       4.956  -9.689 -10.046  1.00  0.00           H  
HETATM   53  H   UNL     1       7.395  -9.361 -10.479  1.00  0.00           H  
HETATM   54  H   UNL     1       7.764 -10.063  -8.912  1.00  0.00           H  
HETATM   55  H   UNL     1       6.388 -11.527 -11.217  1.00  0.00           H  
HETATM   56  H   UNL     1       6.751 -12.241  -9.644  1.00  0.00           H  
HETATM   57  H   UNL     1       8.816 -11.118 -11.618  1.00  0.00           H  
HETATM   58  H   UNL     1       9.195 -11.753 -10.028  1.00  0.00           H  
HETATM   59  H   UNL     1       7.922 -13.361 -12.286  1.00  0.00           H  
HETATM   60  H   UNL     1       8.251 -13.969 -10.673  1.00  0.00           H  
HETATM   61  H   UNL     1      10.334 -13.002 -12.676  1.00  0.00           H  
HETATM   62  H   UNL     1      10.718 -13.570 -11.063  1.00  0.00           H  
HETATM   63  H   UNL     1       9.401 -15.226 -13.283  1.00  0.00           H  
HETATM   64  H   UNL     1       9.719 -15.827 -11.653  1.00  0.00           H  
HETATM   65  H   UNL     1      12.162 -15.384 -11.958  1.00  0.00           H  
HETATM   66  H   UNL     1      11.852 -14.831 -13.606  1.00  0.00           H  
HETATM   67  H   UNL     1      11.228 -17.631 -12.523  1.00  0.00           H  
HETATM   68  H   UNL     1      10.871 -17.073 -14.159  1.00  0.00           H  
HETATM   69  H   UNL     1      13.342 -16.618 -14.501  1.00  0.00           H  
HETATM   70  H   UNL     1      13.651 -17.233 -12.880  1.00  0.00           H  
HETATM   71  H   UNL     1      12.715 -19.433 -13.512  1.00  0.00           H  
HETATM   72  H   UNL     1      12.456 -18.875 -15.161  1.00  0.00           H  
HETATM   73  H   UNL     1      14.927 -18.478 -15.406  1.00  0.00           H  
HETATM   74  H   UNL     1      15.182 -19.040 -13.757  1.00  0.00           H  
HETATM   75  H   UNL     1      14.054 -20.657 -16.091  1.00  0.00           H  
HETATM   76  H   UNL     1      14.223 -21.290 -14.457  1.00  0.00           H  
HETATM   77  H   UNL     1      16.549 -20.287 -16.190  1.00  0.00           H  
HETATM   78  H   UNL     1      16.084 -21.983 -15.979  1.00  0.00           H  
HETATM   79  H   UNL     1      16.696 -21.066 -14.600  1.00  0.00           H  
HETATM   80  H   UNL     1       2.289  -6.240  -7.783  1.00  0.00           H  
HETATM   81  H   UNL     1       2.590  -7.069  -6.227  1.00  0.00           H  
HETATM   82  H   UNL     1       3.904  -5.052  -5.441  1.00  0.00           H  
HETATM   83  H   UNL     1       1.977  -3.451  -5.234  1.00  0.00           H  
HETATM   84  H   UNL     1       1.373  -5.112  -5.020  1.00  0.00           H  
HETATM   85  H   UNL     1       3.589  -1.516  -8.373  1.00  0.00           H  
HETATM   86  H   UNL     1       4.981  -2.587  -8.620  1.00  0.00           H  
HETATM   87  H   UNL     1       4.895  -0.144  -6.746  1.00  0.00           H  
HETATM   88  H   UNL     1       5.665  -0.233  -8.322  1.00  0.00           H  
HETATM   89  H   UNL     1       7.250  -1.905  -7.566  1.00  0.00           H  
HETATM   90  H   UNL     1       6.501  -1.985  -5.977  1.00  0.00           H  
HETATM   91  H   UNL     1       7.900   0.463  -7.180  1.00  0.00           H  
HETATM   92  H   UNL     1       7.113   0.437  -5.596  1.00  0.00           H  
HETATM   93  H   UNL     1       8.649  -1.364  -4.836  1.00  0.00           H  
HETATM   94  H   UNL     1       9.432  -1.380  -6.418  1.00  0.00           H  
HETATM   95  H   UNL     1       9.332   1.016  -4.509  1.00  0.00           H  
HETATM   96  H   UNL     1      10.086   1.028  -6.105  1.00  0.00           H  
HETATM   97  H   UNL     1      11.659  -0.776  -5.388  1.00  0.00           H  
HETATM   98  H   UNL     1      10.881  -0.827  -3.804  1.00  0.00           H  
HETATM   99  H   UNL     1      11.512   1.602  -3.455  1.00  0.00           H  
HETATM  100  H   UNL     1      12.319   1.592  -5.019  1.00  0.00           H  
HETATM  101  H   UNL     1      13.108  -0.160  -2.645  1.00  0.00           H  
HETATM  102  H   UNL     1      13.857  -0.192  -4.238  1.00  0.00           H  
HETATM  103  H   UNL     1      14.517   2.219  -3.974  1.00  0.00           H  
HETATM  104  H   UNL     1      13.820   2.224  -2.352  1.00  0.00           H  
HETATM  105  H   UNL     1      16.102   0.412  -3.291  1.00  0.00           H  
HETATM  106  H   UNL     1      15.382   0.378  -1.680  1.00  0.00           H  
HETATM  107  H   UNL     1      16.788   2.791  -2.948  1.00  0.00           H  
HETATM  108  H   UNL     1      16.040   2.785  -1.349  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.124  -3.030  -8.576  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.219  -6.492  -6.257  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.771  -6.167  -7.064  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.981  -6.793  -4.937  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.399  -7.081  -4.138  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.327  -9.818  -5.222  1.00  0.00           H  
HETATM  115  H   UNL     1      -0.418  -9.207  -6.913  1.00  0.00           H  
HETATM  116  H   UNL     1       0.180  -8.133  -5.598  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.730 -10.374  -5.082  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.919  -9.499  -3.734  1.00  0.00           H  
HETATM  119  H   UNL     1      -3.546  -8.975  -4.297  1.00  0.00           H  
HETATM  120  H   UNL     1      -3.220  -9.520  -6.940  1.00  0.00           H  
HETATM  121  H   UNL     1      -3.427  -7.732  -6.949  1.00  0.00           H  
HETATM  122  H   UNL     1      -1.992  -8.476  -7.740  1.00  0.00           H  
HETATM  123  H   UNL     1      18.481   2.423  -1.183  1.00  0.00           H  
HETATM  124  H   UNL     1      17.615   0.986  -0.613  1.00  0.00           H  
HETATM  125  H   UNL     1      18.367   0.990  -2.220  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   18                                       
CONECT    3    2    4   49   50                                       
CONECT    4    3    5   51   52                                       
CONECT    5    4    6   53   54                                       
CONECT    6    5    7   55   56                                       
CONECT    7    6    8   57   58                                       
CONECT    8    7    9   59   60                                       
CONECT    9    8   10   61   62                                       
CONECT   10    9   11   63   64                                       
CONECT   11   10   12   65   66                                       
CONECT   12   11   13   67   68                                       
CONECT   13   12   14   69   70                                       
CONECT   14   13   15   71   72                                       
CONECT   15   14   16   73   74                                       
CONECT   16   15   17   75   76                                       
CONECT   17   16   77   78   79                                       
CONECT   18    2   19                                                 
CONECT   19   18   20   80   81                                       
CONECT   20   19   21   24   82                                       
CONECT   21   20   22   83   84                                       
CONECT   22   21   23                                                 
CONECT   23   22   39   40   40                                       
CONECT   23   41                                                      
CONECT   24   20   25                                                 
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   85   86                                       
CONECT   28   27   29   87   88                                       
CONECT   29   28   30   89   90                                       
CONECT   30   29   31   91   92                                       
CONECT   31   30   32   93   94                                       
CONECT   32   31   33   95   96                                       
CONECT   33   32   34   97   98                                       
CONECT   34   33   35   99  100                                       
CONECT   35   34   36  101  102                                       
CONECT   36   35   37  103  104                                       
CONECT   37   36   38  105  106                                       
CONECT   38   37   48  107  108                                       
CONECT   39   23  109                                                 
CONECT   40   23   23                                                 
CONECT   41   23   42                                                 
CONECT   42   41   43  110  111                                       
CONECT   43   42   44  112  113                                       
CONECT   44   43   45   46   47                                       
CONECT   45   44  114  115  116                                       
CONECT   46   44  117  118  119                                       
CONECT   47   44  120  121  122                                       
CONECT   48   38  123  124  125                                       
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   14                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   17                                                      
CONECT   78   17                                                      
CONECT   79   17                                                      
CONECT   80   19                                                      
CONECT   81   19                                                      
CONECT   82   20                                                      
CONECT   83   21                                                      
CONECT   84   21                                                      
CONECT   85   27                                                      
CONECT   86   27                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   29                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   32                                                      
CONECT   97   33                                                      
CONECT   98   33                                                      
CONECT   99   34                                                      
CONECT  100   34                                                      
CONECT  101   35                                                      
CONECT  102   35                                                      
CONECT  103   36                                                      
CONECT  104   36                                                      
CONECT  105   37                                                      
CONECT  106   37                                                      
CONECT  107   38                                                      
CONECT  108   38                                                      
CONECT  109   39                                                      
CONECT  110   42                                                      
CONECT  111   42                                                      
CONECT  112   43                                                      
CONECT  113   43                                                      
CONECT  114   45                                                      
CONECT  115   45                                                      
CONECT  116   45                                                      
CONECT  117   46                                                      
CONECT  118   46                                                      
CONECT  119   46                                                      
CONECT  120   47                                                      
CONECT  121   47                                                      
CONECT  122   47                                                      
CONECT  123   48                                                      
CONECT  124   48                                                      
CONECT  125   48                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
