COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.225   0.145   1.352  1.00  0.00           O  
HETATM    2  C   UNL     1       6.201  -0.469   0.304  1.00  0.00           C  
HETATM    3  O   UNL     1       7.304  -1.112  -0.125  1.00  0.00           O  
HETATM    4  C   UNL     1       8.485  -1.028   0.716  1.00  0.00           C  
HETATM    5  C   UNL     1       8.174  -1.619   2.092  1.00  0.00           C  
HETATM    6  C   UNL     1       9.628  -1.813   0.070  1.00  0.00           C  
HETATM    7  C   UNL     1       8.897   0.437   0.872  1.00  0.00           C  
HETATM    8  N   UNL     1       5.070  -0.512  -0.427  1.00  0.00           N  
HETATM    9  C   UNL     1       3.868   0.182   0.043  1.00  0.00           C  
HETATM   10  C   UNL     1       2.646  -0.474  -0.547  1.00  0.00           C  
HETATM   11  O   UNL     1       2.767  -1.427  -1.286  1.00  0.00           O  
HETATM   12  C   UNL     1       3.922   1.647  -0.394  1.00  0.00           C  
HETATM   13  C   UNL     1       5.073   2.335   0.293  1.00  0.00           C  
HETATM   14  C   UNL     1       6.321   2.353  -0.301  1.00  0.00           C  
HETATM   15  C   UNL     1       4.880   2.953   1.514  1.00  0.00           C  
HETATM   16  C   UNL     1       7.378   2.984   0.329  1.00  0.00           C  
HETATM   17  C   UNL     1       5.937   3.583   2.144  1.00  0.00           C  
HETATM   18  C   UNL     1       7.186   3.597   1.553  1.00  0.00           C  
HETATM   19  N   UNL     1       1.419  -0.001  -0.252  1.00  0.00           N  
HETATM   20  C   UNL     1       0.231  -0.639  -0.825  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.898   0.358  -0.877  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.728   1.489  -0.475  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.179  -1.829   0.045  1.00  0.00           C  
HETATM   24  C   UNL     1       0.900  -2.880  -0.002  1.00  0.00           C  
HETATM   25  N   UNL     1       1.896  -3.028   0.885  1.00  0.00           N1+
HETATM   26  C   UNL     1       1.030  -3.840  -0.937  1.00  0.00           C  
HETATM   27  C   UNL     1       2.641  -4.039   0.531  1.00  0.00           C  
HETATM   28  N   UNL     1       2.135  -4.574  -0.601  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.098  -0.009  -1.371  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.195   0.960  -1.422  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.888   0.875  -2.783  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.925   1.344  -3.876  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.768   0.352  -3.997  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.669   1.425  -5.211  1.00  0.00           C  
HETATM   35  P   UNL     1      -4.398   0.586  -0.104  1.00  0.00           P  
HETATM   36  O   UNL     1      -3.758   0.779   1.217  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.890  -0.941  -0.244  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.831   1.702  -0.254  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.764   1.481   0.909  1.00  0.00           C  
HETATM   40  O   UNL     1      -6.523   1.985   1.985  1.00  0.00           O  
HETATM   41  N   UNL     1      -7.867   0.722   0.752  1.00  0.00           N  
HETATM   42  C   UNL     1      -8.774   0.507   1.882  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.938  -0.383   1.440  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.948  -0.506   2.582  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.408  -1.771   1.076  1.00  0.00           C  
HETATM   46  C   UNL     1     -12.170  -1.291   2.100  1.00  0.00           C  
HETATM   47  H   UNL     1       7.880  -2.663   1.981  1.00  0.00           H  
HETATM   48  H   UNL     1       9.060  -1.557   2.723  1.00  0.00           H  
HETATM   49  H   UNL     1       7.360  -1.060   2.553  1.00  0.00           H  
HETATM   50  H   UNL     1       9.850  -1.392  -0.911  1.00  0.00           H  
HETATM   51  H   UNL     1      10.514  -1.750   0.701  1.00  0.00           H  
HETATM   52  H   UNL     1       9.334  -2.857  -0.041  1.00  0.00           H  
HETATM   53  H   UNL     1       8.083   0.997   1.332  1.00  0.00           H  
HETATM   54  H   UNL     1       9.784   0.500   1.503  1.00  0.00           H  
HETATM   55  H   UNL     1       9.119   0.859  -0.109  1.00  0.00           H  
HETATM   56  H   UNL     1       5.051  -1.002  -1.264  1.00  0.00           H  
HETATM   57  H   UNL     1       3.820   0.129   1.131  1.00  0.00           H  
HETATM   58  H   UNL     1       4.059   1.699  -1.474  1.00  0.00           H  
HETATM   59  H   UNL     1       2.989   2.142  -0.123  1.00  0.00           H  
HETATM   60  H   UNL     1       6.471   1.874  -1.258  1.00  0.00           H  
HETATM   61  H   UNL     1       3.904   2.943   1.976  1.00  0.00           H  
HETATM   62  H   UNL     1       8.353   2.997  -0.135  1.00  0.00           H  
HETATM   63  H   UNL     1       5.786   4.067   3.099  1.00  0.00           H  
HETATM   64  H   UNL     1       8.012   4.089   2.045  1.00  0.00           H  
HETATM   65  H   UNL     1       1.322   0.761   0.340  1.00  0.00           H  
HETATM   66  H   UNL     1       0.456  -0.986  -1.833  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.318  -1.496   1.074  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.112  -2.249  -0.331  1.00  0.00           H  
HETATM   69  H   UNL     1       2.040  -2.470   1.665  1.00  0.00           H  
HETATM   70  H   UNL     1       0.385  -4.000  -1.789  1.00  0.00           H  
HETATM   71  H   UNL     1       3.515  -4.392   1.058  1.00  0.00           H  
HETATM   72  H   UNL     1       2.488  -5.338  -1.084  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.234  -0.914  -1.692  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.800   1.966  -1.278  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.182  -0.157  -2.977  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.773   1.511  -2.781  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.535   2.329  -3.617  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.143   0.412  -3.105  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.164  -0.659  -4.095  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.170   0.595  -4.876  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.494   2.133  -5.125  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.983   1.760  -5.989  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.060   0.441  -5.469  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.319  -1.140  -1.087  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.488   2.737  -0.252  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.357   1.495  -1.186  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.061   0.319  -0.109  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.234   0.021   2.695  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.161   1.466   2.226  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.424   0.060   0.571  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.488  -1.029   3.420  1.00  0.00           H  
HETATM   92  H   UNL     1     -11.259   0.489   2.901  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.922  -2.214   1.945  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.237  -2.405   0.761  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.688  -1.684   0.262  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.890  -1.379   2.913  1.00  0.00           H  
HETATM   97  H   UNL     1     -12.630  -0.769   1.262  1.00  0.00           H  
HETATM   98  H   UNL     1     -11.859  -2.286   1.781  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    6    7                                       
CONECT    5    4   47   48   49                                       
CONECT    6    4   50   51   52                                       
CONECT    7    4   53   54   55                                       
CONECT    8    9   56    2                                            
CONECT    9    8   10   12   57                                       
CONECT   10    9   11   11   19                                       
CONECT   11   10   10                                                 
CONECT   12    9   13   58   59                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13   16   60                                       
CONECT   15   13   17   17   61                                       
CONECT   16   14   18   18   62                                       
CONECT   17   15   15   18   63                                       
CONECT   18   16   16   17   64                                       
CONECT   19   20   65   10                                            
CONECT   20   19   21   23   66                                       
CONECT   21   20   22   22   29                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   67   68                                       
CONECT   24   23   25   26   26                                       
CONECT   25   24   27   27   69                                       
CONECT   26   24   24   28   70                                       
CONECT   27   25   25   28   71                                       
CONECT   28   26   27   72                                            
CONECT   29   30   73   21                                            
CONECT   30   29   31   35   74                                       
CONECT   31   30   32   75   76                                       
CONECT   32   31   33   34   77                                       
CONECT   33   32   78   79   80                                       
CONECT   34   32   81   82   83                                       
CONECT   35   30   36   36   37                                       
CONECT   35   38                                                      
CONECT   36   35   35                                                 
CONECT   37   35   84                                                 
CONECT   38   35   39   85   86                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   42   87   39                                            
CONECT   42   41   43   88   89                                       
CONECT   43   42   44   45   90                                       
CONECT   44   43   46   91   92                                       
CONECT   45   43   93   94   95                                       
CONECT   46   44   96   97   98                                       
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   45                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
CONECT   97   46                                                      
CONECT   98   46                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
