COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.685   2.929   3.663  1.00  0.00           O  
HETATM    2  P   UNL     1       3.192   4.207   2.803  1.00  0.00           P  
HETATM    3  O   UNL     1       1.989   4.816   3.697  1.00  0.00           O  
HETATM    4  O   UNL     1       4.268   5.188   2.437  1.00  0.00           O  
HETATM    5  O   UNL     1       2.406   3.552   1.554  1.00  0.00           O  
HETATM    6  C   UNL     1       1.370   2.611   1.828  1.00  0.00           C  
HETATM    7  C   UNL     1       1.297   1.601   0.676  1.00  0.00           C  
HETATM    8  N   UNL     1       1.148   2.270  -0.600  1.00  0.00           N  
HETATM    9  C   UNL     1       1.691   1.757  -1.769  1.00  0.00           C  
HETATM   10  C   UNL     1       1.388   2.647  -2.965  1.00  0.00           C  
HETATM   11  C   UNL     1       2.005   2.126  -4.267  1.00  0.00           C  
HETATM   12  O   UNL     1       3.416   2.003  -4.099  1.00  0.00           O  
HETATM   13  C   UNL     1       1.709   3.078  -5.434  1.00  0.00           C  
HETATM   14  C   UNL     1       2.290   2.633  -6.782  1.00  0.00           C  
HETATM   15  C   UNL     1       1.959   3.588  -7.931  1.00  0.00           C  
HETATM   16  C   UNL     1       2.633   3.141  -9.231  1.00  0.00           C  
HETATM   17  C   UNL     1       2.364   4.081 -10.410  1.00  0.00           C  
HETATM   18  C   UNL     1       3.030   3.694 -11.734  1.00  0.00           C  
HETATM   19  C   UNL     1       2.820   4.671 -12.896  1.00  0.00           C  
HETATM   20  C   UNL     1       3.573   4.274 -14.168  1.00  0.00           C  
HETATM   21  C   UNL     1       3.254   5.232 -15.319  1.00  0.00           C  
HETATM   22  C   UNL     1       4.004   4.899 -16.611  1.00  0.00           C  
HETATM   23  C   UNL     1       3.712   5.864 -17.749  1.00  0.00           C  
HETATM   24  O   UNL     1       2.336   0.714  -1.846  1.00  0.00           O  
HETATM   25  C   UNL     1       0.157   0.600   0.905  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.154   1.294   1.291  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.979   2.416   2.329  1.00  0.00           C  
HETATM   28  O   UNL     1       0.119   3.275   1.999  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.872   1.912   3.767  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.704   3.026   4.623  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.709   1.864   0.102  1.00  0.00           O  
HETATM   32  O   UNL     1       0.523  -0.304   1.947  1.00  0.00           O  
HETATM   33  C   UNL     1       1.665  -1.024   1.729  1.00  0.00           C  
HETATM   34  O   UNL     1       2.094  -1.371   0.637  1.00  0.00           O  
HETATM   35  C   UNL     1       2.326  -1.311   3.062  1.00  0.00           C  
HETATM   36  C   UNL     1       3.639  -2.084   2.906  1.00  0.00           C  
HETATM   37  O   UNL     1       3.379  -3.294   2.185  1.00  0.00           O  
HETATM   38  C   UNL     1       4.281  -2.472   4.245  1.00  0.00           C  
HETATM   39  C   UNL     1       4.584  -1.322   5.208  1.00  0.00           C  
HETATM   40  C   UNL     1       5.601  -0.319   4.661  1.00  0.00           C  
HETATM   41  C   UNL     1       5.934   0.755   5.700  1.00  0.00           C  
HETATM   42  C   UNL     1       6.978   1.740   5.168  1.00  0.00           C  
HETATM   43  C   UNL     1       7.332   2.792   6.221  1.00  0.00           C  
HETATM   44  C   UNL     1       8.391   3.793   5.751  1.00  0.00           C  
HETATM   45  C   UNL     1       8.798   4.800   6.829  1.00  0.00           C  
HETATM   46  C   UNL     1       9.848   5.781   6.303  1.00  0.00           C  
HETATM   47  C   UNL     1      10.233   6.808   7.368  1.00  0.00           C  
HETATM   48  C   UNL     1      11.301   7.764   6.859  1.00  0.00           C  
HETATM   49  H   UNL     1       4.249   3.077   4.451  1.00  0.00           H  
HETATM   50  H   UNL     1       2.210   5.357   4.484  1.00  0.00           H  
HETATM   51  H   UNL     1       1.640   2.111   2.764  1.00  0.00           H  
HETATM   52  H   UNL     1       2.256   1.073   0.614  1.00  0.00           H  
HETATM   53  H   UNL     1       0.629   3.142  -0.640  1.00  0.00           H  
HETATM   54  H   UNL     1       0.297   2.704  -3.063  1.00  0.00           H  
HETATM   55  H   UNL     1       1.769   3.650  -2.738  1.00  0.00           H  
HETATM   56  H   UNL     1       1.612   1.128  -4.489  1.00  0.00           H  
HETATM   57  H   UNL     1       3.622   1.060  -4.186  1.00  0.00           H  
HETATM   58  H   UNL     1       2.135   4.064  -5.206  1.00  0.00           H  
HETATM   59  H   UNL     1       0.625   3.214  -5.533  1.00  0.00           H  
HETATM   60  H   UNL     1       1.939   1.623  -7.026  1.00  0.00           H  
HETATM   61  H   UNL     1       3.380   2.566  -6.675  1.00  0.00           H  
HETATM   62  H   UNL     1       0.875   3.628  -8.086  1.00  0.00           H  
HETATM   63  H   UNL     1       2.290   4.598  -7.665  1.00  0.00           H  
HETATM   64  H   UNL     1       2.260   2.144  -9.501  1.00  0.00           H  
HETATM   65  H   UNL     1       3.712   3.033  -9.074  1.00  0.00           H  
HETATM   66  H   UNL     1       1.280   4.156 -10.557  1.00  0.00           H  
HETATM   67  H   UNL     1       2.699   5.090 -10.140  1.00  0.00           H  
HETATM   68  H   UNL     1       2.675   2.704 -12.043  1.00  0.00           H  
HETATM   69  H   UNL     1       4.108   3.583 -11.557  1.00  0.00           H  
HETATM   70  H   UNL     1       3.108   5.684 -12.593  1.00  0.00           H  
HETATM   71  H   UNL     1       1.745   4.709 -13.114  1.00  0.00           H  
HETATM   72  H   UNL     1       3.298   3.252 -14.454  1.00  0.00           H  
HETATM   73  H   UNL     1       4.650   4.281 -13.974  1.00  0.00           H  
HETATM   74  H   UNL     1       2.178   5.195 -15.529  1.00  0.00           H  
HETATM   75  H   UNL     1       3.482   6.261 -15.016  1.00  0.00           H  
HETATM   76  H   UNL     1       3.717   3.890 -16.928  1.00  0.00           H  
HETATM   77  H   UNL     1       5.084   4.876 -16.420  1.00  0.00           H  
HETATM   78  H   UNL     1       4.096   6.866 -17.535  1.00  0.00           H  
HETATM   79  H   UNL     1       2.636   5.938 -17.936  1.00  0.00           H  
HETATM   80  H   UNL     1       4.193   5.516 -18.669  1.00  0.00           H  
HETATM   81  H   UNL     1       0.008  -0.001   0.000  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.881   0.562   1.662  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.866   3.059   2.290  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.013   1.248   3.865  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.782   1.379   4.042  1.00  0.00           H  
HETATM   86  H   UNL     1       0.249   3.110   4.800  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.002   1.860  -0.561  1.00  0.00           H  
HETATM   88  H   UNL     1       1.620  -1.896   3.664  1.00  0.00           H  
HETATM   89  H   UNL     1       2.502  -0.344   3.543  1.00  0.00           H  
HETATM   90  H   UNL     1       4.352  -1.513   2.302  1.00  0.00           H  
HETATM   91  H   UNL     1       3.915  -3.980   2.607  1.00  0.00           H  
HETATM   92  H   UNL     1       5.211  -3.019   4.039  1.00  0.00           H  
HETATM   93  H   UNL     1       3.635  -3.197   4.758  1.00  0.00           H  
HETATM   94  H   UNL     1       3.657  -0.802   5.477  1.00  0.00           H  
HETATM   95  H   UNL     1       4.971  -1.754   6.139  1.00  0.00           H  
HETATM   96  H   UNL     1       5.204   0.165   3.762  1.00  0.00           H  
HETATM   97  H   UNL     1       6.519  -0.845   4.371  1.00  0.00           H  
HETATM   98  H   UNL     1       5.021   1.299   5.971  1.00  0.00           H  
HETATM   99  H   UNL     1       6.310   0.278   6.613  1.00  0.00           H  
HETATM  100  H   UNL     1       6.585   2.226   4.268  1.00  0.00           H  
HETATM  101  H   UNL     1       7.882   1.194   4.875  1.00  0.00           H  
HETATM  102  H   UNL     1       6.426   3.331   6.526  1.00  0.00           H  
HETATM  103  H   UNL     1       7.714   2.287   7.117  1.00  0.00           H  
HETATM  104  H   UNL     1       9.277   3.228   5.435  1.00  0.00           H  
HETATM  105  H   UNL     1       8.025   4.326   4.864  1.00  0.00           H  
HETATM  106  H   UNL     1       9.199   4.265   7.699  1.00  0.00           H  
HETATM  107  H   UNL     1       7.921   5.362   7.169  1.00  0.00           H  
HETATM  108  H   UNL     1       9.457   6.298   5.418  1.00  0.00           H  
HETATM  109  H   UNL     1      10.741   5.229   5.985  1.00  0.00           H  
HETATM  110  H   UNL     1       9.349   7.383   7.668  1.00  0.00           H  
HETATM  111  H   UNL     1      10.606   6.295   8.262  1.00  0.00           H  
HETATM  112  H   UNL     1      10.947   8.317   5.983  1.00  0.00           H  
HETATM  113  H   UNL     1      12.211   7.223   6.581  1.00  0.00           H  
HETATM  114  H   UNL     1      11.561   8.489   7.636  1.00  0.00           H  
CONECT    1    2   49                                                 
CONECT    2    1    5    4    4                                       
CONECT    2    3                                                      
CONECT    3    2   50                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7   28   51                                       
CONECT    7    6   25    8   52                                       
CONECT    8    7    9   53                                            
CONECT    9    8   24   24   10                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   13   12   56                                       
CONECT   12   11   57                                                 
CONECT   13   11   14   58   59                                       
CONECT   14   13   15   60   61                                       
CONECT   15   14   16   62   63                                       
CONECT   16   15   17   64   65                                       
CONECT   17   16   18   66   67                                       
CONECT   18   17   19   68   69                                       
CONECT   19   18   20   70   71                                       
CONECT   20   19   21   72   73                                       
CONECT   21   20   22   74   75                                       
CONECT   22   21   23   76   77                                       
CONECT   23   22   78   79   80                                       
CONECT   24    9    9                                                 
CONECT   25    7   32   26   81                                       
CONECT   26   25   31   27   82                                       
CONECT   27   26   29   28   83                                       
CONECT   28    6   27                                                 
CONECT   29   27   30   84   85                                       
CONECT   30   29   86                                                 
CONECT   31   26   87                                                 
CONECT   32   25   33                                                 
CONECT   33   32   35   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   88   89                                       
CONECT   36   35   38   37   90                                       
CONECT   37   36   91                                                 
CONECT   38   36   39   92   93                                       
CONECT   39   38   40   94   95                                       
CONECT   40   39   41   96   97                                       
CONECT   41   40   42   98   99                                       
CONECT   42   41   43  100  101                                       
CONECT   43   42   44  102  103                                       
CONECT   44   43   45  104  105                                       
CONECT   45   44   46  106  107                                       
CONECT   46   45   47  108  109                                       
CONECT   47   46   48  110  111                                       
CONECT   48   47  112  113  114                                       
CONECT   49    1                                                      
CONECT   50    3                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   38                                                      
CONECT   94   39                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   40                                                      
CONECT   98   41                                                      
CONECT   99   41                                                      
CONECT  100   42                                                      
CONECT  101   42                                                      
CONECT  102   43                                                      
CONECT  103   43                                                      
CONECT  104   44                                                      
CONECT  105   44                                                      
CONECT  106   45                                                      
CONECT  107   45                                                      
CONECT  108   46                                                      
CONECT  109   46                                                      
CONECT  110   47                                                      
CONECT  111   47                                                      
CONECT  112   48                                                      
CONECT  113   48                                                      
CONECT  114   48                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
