COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.770   1.955  -0.961  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.545   2.816  -1.278  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.939   3.341   0.024  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.552  -1.986   1.302  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.269  -3.207   2.180  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.469  -2.301   4.926  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.544  -3.955   4.146  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.424  -2.826   3.156  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.582   1.949  -3.323  1.00  0.00           C  
HETATM   10  C   UNL     1       0.440   1.117  -4.053  1.00  0.00           C  
HETATM   11  C   UNL     1       0.194   1.213  -5.560  1.00  0.00           C  
HETATM   12  C   UNL     1       1.233   0.369  -6.301  1.00  0.00           C  
HETATM   13  C   UNL     1       0.986   0.466  -7.808  1.00  0.00           C  
HETATM   14  C   UNL     1       2.025  -0.378  -8.550  1.00  0.00           C  
HETATM   15  C   UNL     1       1.778  -0.281 -10.057  1.00  0.00           C  
HETATM   16  C   UNL     1       2.817  -1.126 -10.798  1.00  0.00           C  
HETATM   17  C   UNL     1       2.571  -1.029 -12.305  1.00  0.00           C  
HETATM   18  C   UNL     1       3.609  -1.874 -13.047  1.00  0.00           C  
HETATM   19  C   UNL     1       3.363  -1.777 -14.554  1.00  0.00           C  
HETATM   20  C   UNL     1       4.401  -2.622 -15.295  1.00  0.00           C  
HETATM   21  C   UNL     1       0.018   2.444   2.057  1.00  0.00           C  
HETATM   22  C   UNL     1       0.432   1.282   2.923  1.00  0.00           C  
HETATM   23  C   UNL     1       1.038   1.807   4.226  1.00  0.00           C  
HETATM   24  C   UNL     1       1.458   0.628   5.105  1.00  0.00           C  
HETATM   25  C   UNL     1       2.064   1.153   6.408  1.00  0.00           C  
HETATM   26  C   UNL     1       2.484  -0.026   7.288  1.00  0.00           C  
HETATM   27  C   UNL     1       3.090   0.498   8.590  1.00  0.00           C  
HETATM   28  C   UNL     1       3.510  -0.680   9.470  1.00  0.00           C  
HETATM   29  C   UNL     1       4.116  -0.155  10.773  1.00  0.00           C  
HETATM   30  C   UNL     1       4.536  -1.335  11.652  1.00  0.00           C  
HETATM   31  C   UNL     1       5.142  -0.810  12.955  1.00  0.00           C  
HETATM   32  C   UNL     1       5.562  -1.989  13.834  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.421   2.556  -3.944  1.00  0.00           O  
HETATM   34  O   UNL     1       0.191   3.576   2.443  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.560   2.015  -1.982  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.541   2.221   0.858  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.280  -0.480  -1.125  1.00  0.00           O  
HETATM   38  O   UNL     1      -4.785   0.919   0.913  1.00  0.00           O  
HETATM   39  O   UNL     1      -2.377   0.853  -0.140  1.00  0.00           O  
HETATM   40  O   UNL     1      -3.337  -1.268   1.078  1.00  0.00           O  
HETATM   41  N   UNL     1      -3.869  -2.754   3.553  1.00  0.00           N1+
HETATM   42  P   UNL     1      -3.708  -0.004   0.153  1.00  0.00           P  
HETATM   43  H   UNL     1      -3.509   2.557  -0.433  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.201   1.581  -1.889  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.844   3.656  -1.905  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.679   3.943   0.552  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.067   3.954  -0.202  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.270  -1.337   1.803  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.962  -2.313   0.347  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.166  -3.822   2.247  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.460  -3.791   1.740  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.910  -1.368   4.852  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.362  -2.142   5.530  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.845  -3.063   5.393  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.033  -4.243   5.065  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.507  -4.780   3.435  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.584  -3.714   4.369  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.856  -2.082   3.715  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.036  -3.820   3.376  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.331  -2.626   2.088  1.00  0.00           H  
HETATM   61  H   UNL     1       1.440   1.487  -3.824  1.00  0.00           H  
HETATM   62  H   UNL     1       0.356   0.077  -3.737  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.804   0.844  -5.789  1.00  0.00           H  
HETATM   64  H   UNL     1       0.278   2.253  -5.876  1.00  0.00           H  
HETATM   65  H   UNL     1       2.232   0.739  -6.072  1.00  0.00           H  
HETATM   66  H   UNL     1       1.148  -0.670  -5.985  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.012   0.096  -8.038  1.00  0.00           H  
HETATM   68  H   UNL     1       1.071   1.505  -8.124  1.00  0.00           H  
HETATM   69  H   UNL     1       3.024  -0.008  -8.321  1.00  0.00           H  
HETATM   70  H   UNL     1       1.940  -1.418  -8.234  1.00  0.00           H  
HETATM   71  H   UNL     1       0.779  -0.651 -10.286  1.00  0.00           H  
HETATM   72  H   UNL     1       1.863   0.757 -10.373  1.00  0.00           H  
HETATM   73  H   UNL     1       2.733  -2.166 -10.482  1.00  0.00           H  
HETATM   74  H   UNL     1       3.816  -0.756 -10.569  1.00  0.00           H  
HETATM   75  H   UNL     1       1.571  -1.399 -12.534  1.00  0.00           H  
HETATM   76  H   UNL     1       2.655   0.009 -12.621  1.00  0.00           H  
HETATM   77  H   UNL     1       4.609  -1.504 -12.817  1.00  0.00           H  
HETATM   78  H   UNL     1       3.525  -2.913 -12.731  1.00  0.00           H  
HETATM   79  H   UNL     1       2.363  -2.147 -14.783  1.00  0.00           H  
HETATM   80  H   UNL     1       3.447  -0.738 -14.870  1.00  0.00           H  
HETATM   81  H   UNL     1       4.226  -2.553 -16.369  1.00  0.00           H  
HETATM   82  H   UNL     1       5.401  -2.252 -15.066  1.00  0.00           H  
HETATM   83  H   UNL     1       4.317  -3.661 -14.979  1.00  0.00           H  
HETATM   84  H   UNL     1       1.172   0.681   2.395  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.439   0.669   3.150  1.00  0.00           H  
HETATM   86  H   UNL     1       0.298   2.409   4.755  1.00  0.00           H  
HETATM   87  H   UNL     1       1.910   2.421   4.000  1.00  0.00           H  
HETATM   88  H   UNL     1       2.198   0.026   4.577  1.00  0.00           H  
HETATM   89  H   UNL     1       0.586   0.015   5.332  1.00  0.00           H  
HETATM   90  H   UNL     1       1.324   1.754   6.937  1.00  0.00           H  
HETATM   91  H   UNL     1       2.936   1.766   6.182  1.00  0.00           H  
HETATM   92  H   UNL     1       3.224  -0.627   6.759  1.00  0.00           H  
HETATM   93  H   UNL     1       1.612  -0.639   7.514  1.00  0.00           H  
HETATM   94  H   UNL     1       2.350   1.100   9.119  1.00  0.00           H  
HETATM   95  H   UNL     1       3.962   1.112   8.364  1.00  0.00           H  
HETATM   96  H   UNL     1       4.250  -1.282   8.941  1.00  0.00           H  
HETATM   97  H   UNL     1       2.638  -1.293   9.696  1.00  0.00           H  
HETATM   98  H   UNL     1       3.376   0.446  11.301  1.00  0.00           H  
HETATM   99  H   UNL     1       4.988   0.457  10.546  1.00  0.00           H  
HETATM  100  H   UNL     1       5.276  -1.936  11.123  1.00  0.00           H  
HETATM  101  H   UNL     1       3.664  -1.948  11.878  1.00  0.00           H  
HETATM  102  H   UNL     1       4.402  -0.208  13.483  1.00  0.00           H  
HETATM  103  H   UNL     1       6.014  -0.196  12.728  1.00  0.00           H  
HETATM  104  H   UNL     1       6.302  -2.591  13.305  1.00  0.00           H  
HETATM  105  H   UNL     1       4.690  -2.602  14.060  1.00  0.00           H  
HETATM  106  H   UNL     1       5.994  -1.615  14.762  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.373   1.207   1.739  1.00  0.00           H  
CONECT    1    2   39   43   44                                       
CONECT    2    1    3   35   45                                       
CONECT    3    2   36   46   47                                       
CONECT    4    5   40   48   49                                       
CONECT    5    4   41   50   51                                       
CONECT    6   41   52   53   54                                       
CONECT    7   41   55   56   57                                       
CONECT    8   41   58   59   60                                       
CONECT    9   10   33   33   35                                       
CONECT   10    9   11   61   62                                       
CONECT   11   10   12   63   64                                       
CONECT   12   11   13   65   66                                       
CONECT   13   12   14   67   68                                       
CONECT   14   13   15   69   70                                       
CONECT   15   14   16   71   72                                       
CONECT   16   15   17   73   74                                       
CONECT   17   16   18   75   76                                       
CONECT   18   17   19   77   78                                       
CONECT   19   18   20   79   80                                       
CONECT   20   19   81   82   83                                       
CONECT   21   22   34   34   36                                       
CONECT   22   21   23   84   85                                       
CONECT   23   22   24   86   87                                       
CONECT   24   23   25   88   89                                       
CONECT   25   24   26   90   91                                       
CONECT   26   25   27   92   93                                       
CONECT   27   26   28   94   95                                       
CONECT   28   27   29   96   97                                       
CONECT   29   28   30   98   99                                       
CONECT   30   29   31  100  101                                       
CONECT   31   30   32  102  103                                       
CONECT   32   31  104  105  106                                       
CONECT   33    9    9                                                 
CONECT   34   21   21                                                 
CONECT   35    2    9                                                 
CONECT   36    3   21                                                 
CONECT   37   42   42                                                 
CONECT   38   42  107                                                 
CONECT   39    1   42                                                 
CONECT   40    4   42                                                 
CONECT   41    5    6    7    8                                       
CONECT   42   37   37   38   39                                       
CONECT   42   40                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   19                                                      
CONECT   81   20                                                      
CONECT   82   20                                                      
CONECT   83   20                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   23                                                      
CONECT   87   23                                                      
CONECT   88   24                                                      
CONECT   89   24                                                      
CONECT   90   25                                                      
CONECT   91   25                                                      
CONECT   92   26                                                      
CONECT   93   26                                                      
CONECT   94   27                                                      
CONECT   95   27                                                      
CONECT   96   28                                                      
CONECT   97   28                                                      
CONECT   98   29                                                      
CONECT   99   29                                                      
CONECT  100   30                                                      
CONECT  101   30                                                      
CONECT  102   31                                                      
CONECT  103   31                                                      
CONECT  104   32                                                      
CONECT  105   32                                                      
CONECT  106   32                                                      
CONECT  107   38                                                      
MASTER        0    0    0    0    0    0    0    0  107    0  107    0
END
