COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       0.878  -4.433  -0.522  1.00  0.00           P  
HETATM    2  C   UNL     1      -0.720  -3.622   1.460  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.079  -2.347   2.225  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.714  -1.403   1.323  1.00  0.00           O  
HETATM    5  C   UNL     1       0.193  -1.723   2.802  1.00  0.00           C  
HETATM    6  O   UNL     1       1.153  -1.507   1.734  1.00  0.00           O  
HETATM    7  C   UNL     1       2.332  -0.962   2.075  1.00  0.00           C  
HETATM    8  O   UNL     1       2.554  -0.675   3.227  1.00  0.00           O  
HETATM    9  C   UNL     1       3.378  -0.708   1.020  1.00  0.00           C  
HETATM   10  C   UNL     1       4.616  -0.086   1.669  1.00  0.00           C  
HETATM   11  C   UNL     1       5.678   0.171   0.598  1.00  0.00           C  
HETATM   12  C   UNL     1       6.916   0.793   1.247  1.00  0.00           C  
HETATM   13  C   UNL     1       7.978   1.051   0.176  1.00  0.00           C  
HETATM   14  C   UNL     1       9.216   1.673   0.825  1.00  0.00           C  
HETATM   15  C   UNL     1      10.278   1.930  -0.245  1.00  0.00           C  
HETATM   16  C   UNL     1      11.517   2.552   0.403  1.00  0.00           C  
HETATM   17  O   UNL     1       1.431  -5.553   0.272  1.00  0.00           O  
HETATM   18  C   UNL     1      12.578   2.810  -0.667  1.00  0.00           C  
HETATM   19  C   UNL     1      13.817   3.431  -0.018  1.00  0.00           C  
HETATM   20  C   UNL     1      14.879   3.689  -1.089  1.00  0.00           C  
HETATM   21  C   UNL     1      16.117   4.311  -0.440  1.00  0.00           C  
HETATM   22  C   UNL     1      17.179   4.569  -1.511  1.00  0.00           C  
HETATM   23  C   UNL     1      18.417   5.190  -0.862  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.283  -4.984  -1.491  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.051  -1.470   1.213  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.669  -2.289   1.851  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.780  -0.523   0.295  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.282  -0.808   0.356  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.022   0.154  -0.576  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.524  -0.132  -0.515  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.264   0.830  -1.446  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.766   0.544  -1.385  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.506   1.506  -2.317  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.985   1.225  -2.257  1.00  0.00           C  
HETATM   35  O   UNL     1       0.266  -3.323   0.471  1.00  0.00           O  
HETATM   36  C   UNL     1     -12.823   2.187  -1.964  1.00  0.00           C  
HETATM   37  C   UNL     1     -14.303   1.906  -1.904  1.00  0.00           C  
HETATM   38  C   UNL     1     -14.841   2.330  -0.562  1.00  0.00           C  
HETATM   39  C   UNL     1     -15.845   3.169  -0.493  1.00  0.00           C  
HETATM   40  C   UNL     1     -16.383   3.593   0.849  1.00  0.00           C  
HETATM   41  C   UNL     1     -16.368   5.120   0.945  1.00  0.00           C  
HETATM   42  C   UNL     1     -16.914   5.551   2.307  1.00  0.00           C  
HETATM   43  O   UNL     1       2.049  -3.774  -1.408  1.00  0.00           O  
HETATM   44  C   UNL     1       2.859  -4.528  -2.312  1.00  0.00           C  
HETATM   45  C   UNL     1       3.869  -3.598  -2.989  1.00  0.00           C  
HETATM   46  N   UNL     1       4.799  -3.069  -1.982  1.00  0.00           N  
HETATM   47  H   UNL     1      -0.325  -4.363   2.155  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.613  -4.018   0.976  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.764  -2.590   3.037  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.050  -0.769   3.270  1.00  0.00           H  
HETATM   51  H   UNL     1       0.622  -2.394   3.546  1.00  0.00           H  
HETATM   52  H   UNL     1       3.651  -1.651   0.545  1.00  0.00           H  
HETATM   53  H   UNL     1       2.979  -0.025   0.270  1.00  0.00           H  
HETATM   54  H   UNL     1       4.343   0.856   2.144  1.00  0.00           H  
HETATM   55  H   UNL     1       5.015  -0.769   2.420  1.00  0.00           H  
HETATM   56  H   UNL     1       5.951  -0.771   0.123  1.00  0.00           H  
HETATM   57  H   UNL     1       5.279   0.854  -0.152  1.00  0.00           H  
HETATM   58  H   UNL     1       6.643   1.735   1.722  1.00  0.00           H  
HETATM   59  H   UNL     1       7.315   0.110   1.998  1.00  0.00           H  
HETATM   60  H   UNL     1       8.251   0.108  -0.298  1.00  0.00           H  
HETATM   61  H   UNL     1       7.579   1.734  -0.574  1.00  0.00           H  
HETATM   62  H   UNL     1       8.943   2.615   1.300  1.00  0.00           H  
HETATM   63  H   UNL     1       9.615   0.990   1.576  1.00  0.00           H  
HETATM   64  H   UNL     1      10.552   0.988  -0.720  1.00  0.00           H  
HETATM   65  H   UNL     1       9.880   2.613  -0.996  1.00  0.00           H  
HETATM   66  H   UNL     1      11.243   3.494   0.878  1.00  0.00           H  
HETATM   67  H   UNL     1      11.915   1.869   1.154  1.00  0.00           H  
HETATM   68  H   UNL     1      12.852   1.867  -1.142  1.00  0.00           H  
HETATM   69  H   UNL     1      12.180   3.492  -1.418  1.00  0.00           H  
HETATM   70  H   UNL     1      13.543   4.374   0.456  1.00  0.00           H  
HETATM   71  H   UNL     1      14.215   2.749   0.732  1.00  0.00           H  
HETATM   72  H   UNL     1      15.152   2.747  -1.564  1.00  0.00           H  
HETATM   73  H   UNL     1      14.480   4.372  -1.839  1.00  0.00           H  
HETATM   74  H   UNL     1      15.844   5.253   0.035  1.00  0.00           H  
HETATM   75  H   UNL     1      16.516   3.628   0.310  1.00  0.00           H  
HETATM   76  H   UNL     1      17.452   3.626  -1.986  1.00  0.00           H  
HETATM   77  H   UNL     1      16.780   5.251  -2.261  1.00  0.00           H  
HETATM   78  H   UNL     1      19.174   5.374  -1.625  1.00  0.00           H  
HETATM   79  H   UNL     1      18.144   6.133  -0.387  1.00  0.00           H  
HETATM   80  H   UNL     1      18.816   4.508  -0.112  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.692  -4.302  -2.043  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.592   0.504   0.609  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.425  -0.661  -0.726  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.469  -1.835   0.042  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.637  -0.670   1.378  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.834   1.180  -0.262  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.667   0.015  -1.597  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.711  -1.159  -0.828  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.879   0.006   0.507  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.076   1.856  -1.133  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.909   0.691  -2.468  1.00  0.00           H  
HETATM   92  H   UNL     1      -9.953  -0.483  -1.699  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.121   0.683  -0.364  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.318   2.533  -2.003  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.151   1.367  -3.339  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.354   0.229  -2.457  1.00  0.00           H  
HETATM   97  H   UNL     1     -12.454   3.183  -1.765  1.00  0.00           H  
HETATM   98  H   UNL     1     -14.811   2.463  -2.691  1.00  0.00           H  
HETATM   99  H   UNL     1     -14.476   0.839  -2.044  1.00  0.00           H  
HETATM  100  H   UNL     1     -14.398   1.943   0.345  1.00  0.00           H  
HETATM  101  H   UNL     1     -16.287   3.557  -1.400  1.00  0.00           H  
HETATM  102  H   UNL     1     -17.405   3.232   0.961  1.00  0.00           H  
HETATM  103  H   UNL     1     -15.760   3.174   1.639  1.00  0.00           H  
HETATM  104  H   UNL     1     -15.346   5.482   0.832  1.00  0.00           H  
HETATM  105  H   UNL     1     -16.991   5.540   0.154  1.00  0.00           H  
HETATM  106  H   UNL     1     -16.904   6.639   2.375  1.00  0.00           H  
HETATM  107  H   UNL     1     -17.937   5.190   2.420  1.00  0.00           H  
HETATM  108  H   UNL     1     -16.292   5.132   3.097  1.00  0.00           H  
HETATM  109  H   UNL     1       3.392  -5.304  -1.762  1.00  0.00           H  
HETATM  110  H   UNL     1       2.226  -4.989  -3.069  1.00  0.00           H  
HETATM  111  H   UNL     1       4.426  -4.154  -3.742  1.00  0.00           H  
HETATM  112  H   UNL     1       3.340  -2.772  -3.464  1.00  0.00           H  
HETATM  113  H   UNL     1       5.476  -2.452  -2.404  1.00  0.00           H  
HETATM  114  H   UNL     1       4.300  -2.604  -1.238  1.00  0.00           H  
CONECT    1   17   17   24   35                                       
CONECT    1   43                                                      
CONECT    2    3   35   47   48                                       
CONECT    3    2    4    5   49                                       
CONECT    4    3   25                                                 
CONECT    5    3    6   50   51                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   52   53                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   12   56   57                                       
CONECT   12   11   13   58   59                                       
CONECT   13   12   14   60   61                                       
CONECT   14   13   15   62   63                                       
CONECT   15   14   16   64   65                                       
CONECT   16   15   18   66   67                                       
CONECT   17    1    1                                                 
CONECT   18   16   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    1   81                                                 
CONECT   25    4   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   82   83                                       
CONECT   28   27   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   36   36   96                                       
CONECT   35    1    2                                                 
CONECT   36   34   34   37   97                                       
CONECT   37   36   38   98   99                                       
CONECT   38   37   39   39  100                                       
CONECT   39   38   38   40  101                                       
CONECT   40   39   41  102  103                                       
CONECT   41   40   42  104  105                                       
CONECT   42   41  106  107  108                                       
CONECT   43    1   44                                                 
CONECT   44   43   45  109  110                                       
CONECT   45   44   46  111  112                                       
CONECT   46   45  113  114                                            
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
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   24                                                      
CONECT   82   27                                                      
CONECT   83   27                                                      
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   36                                                      
CONECT   98   37                                                      
CONECT   99   37                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   40                                                      
CONECT  104   41                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
CONECT  107   42                                                      
CONECT  108   42                                                      
CONECT  109   44                                                      
CONECT  110   44                                                      
CONECT  111   45                                                      
CONECT  112   45                                                      
CONECT  113   46                                                      
CONECT  114   46                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
