COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.722  -0.669  -0.440  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.204  -0.380  -0.445  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.988  -0.462   0.261  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.167   0.200  -0.455  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.469  -0.172   0.256  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.951   0.117   0.250  1.00  0.00           C  
HETATM    7  C   UNL     1     -14.433   0.407   0.245  1.00  0.00           C  
HETATM    8  C   UNL     1     -16.914   0.697   0.240  1.00  0.00           C  
HETATM    9  C   UNL     1      10.893   3.828   0.310  1.00  0.00           C  
HETATM   10  C   UNL     1       9.835   2.910   0.422  1.00  0.00           C  
HETATM   11  C   UNL     1       9.842   1.784  -0.419  1.00  0.00           C  
HETATM   12  C   UNL     1       8.285  -0.189  -0.717  1.00  0.00           C  
HETATM   13  C   UNL     1       6.623  -1.801  -0.674  1.00  0.00           C  
HETATM   14  C   UNL     1       5.497  -2.237   0.267  1.00  0.00           C  
HETATM   15  C   UNL     1       0.439  -1.321   0.266  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.025  -1.042   0.271  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.506  -0.752   0.266  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.685  -0.090  -0.450  1.00  0.00           C  
HETATM   19  C   UNL     1     -10.648   0.490  -0.460  1.00  0.00           C  
HETATM   20  C   UNL     1     -13.130   0.780  -0.465  1.00  0.00           C  
HETATM   21  C   UNL     1     -15.612   1.069  -0.471  1.00  0.00           C  
HETATM   22  C   UNL     1     -18.093   1.359  -0.476  1.00  0.00           C  
HETATM   23  C   UNL     1     -19.396   0.987   0.235  1.00  0.00           C  
HETATM   24  C   UNL     1     -20.575   1.649  -0.481  1.00  0.00           C  
HETATM   25  C   UNL     1       7.931  -2.537  -0.307  1.00  0.00           C  
HETATM   26  C   UNL     1       8.931  -1.398   0.008  1.00  0.00           C  
HETATM   27  C   UNL     1       8.066   1.746   0.887  1.00  0.00           C  
HETATM   28  C   UNL     1      11.809   2.516  -1.355  1.00  0.00           C  
HETATM   29  N   UNL     1      10.944   4.951   1.115  1.00  0.00           N  
HETATM   30  N   UNL     1       8.714   1.070  -0.103  1.00  0.00           N  
HETATM   31  N   UNL     1       8.725   2.825   1.194  1.00  0.00           N  
HETATM   32  N   UNL     1      10.839   1.630  -1.284  1.00  0.00           N  
HETATM   33  N   UNL     1      11.847   3.589  -0.585  1.00  0.00           N  
HETATM   34  O   UNL     1       6.869  -0.393  -0.523  1.00  0.00           O  
HETATM   35  O   UNL     1       4.272  -1.628  -0.143  1.00  0.00           O  
HETATM   36  O   UNL     1       2.596  -3.316   0.702  1.00  0.00           O  
HETATM   37  O   UNL     1       1.689  -1.134  -0.186  1.00  0.00           O  
HETATM   38  O   UNL     1       0.245  -2.013   1.237  1.00  0.00           O  
HETATM   39  O   UNL     1       2.968  -1.253   2.109  1.00  0.00           O  
HETATM   40  O   UNL     1       8.393  -3.317  -1.411  1.00  0.00           O  
HETATM   41  O   UNL     1      10.221  -1.687  -0.534  1.00  0.00           O  
HETATM   42  P   UNL     1       2.875  -1.865   0.622  1.00  0.00           P  
HETATM   43  H   UNL     1      -0.595   0.413  -0.423  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.760  -1.015  -1.473  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.077   0.703  -0.428  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.242  -0.725  -1.478  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.950  -0.117   1.294  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.114  -1.545   0.244  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.040   1.283  -0.438  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.205  -0.145  -1.488  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.596  -1.255   0.239  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.431   0.173   1.289  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.077  -0.965   0.234  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.913   0.463   1.283  1.00  0.00           H  
HETATM   55  H   UNL     1     -14.559  -0.675   0.228  1.00  0.00           H  
HETATM   56  H   UNL     1     -14.394   0.753   1.278  1.00  0.00           H  
HETATM   57  H   UNL     1     -17.041  -0.385   0.223  1.00  0.00           H  
HETATM   58  H   UNL     1     -16.876   1.043   1.273  1.00  0.00           H  
HETATM   59  H   UNL     1       8.533  -0.202  -1.778  1.00  0.00           H  
HETATM   60  H   UNL     1       6.352  -2.022  -1.706  1.00  0.00           H  
HETATM   61  H   UNL     1       5.394  -3.321   0.232  1.00  0.00           H  
HETATM   62  H   UNL     1       5.734  -1.927   1.285  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.151  -2.124   0.254  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.986  -0.696   1.304  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.633  -1.834   0.249  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.468  -0.406   1.299  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.723  -0.435  -1.483  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.559   0.993  -0.433  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.522   1.572  -0.444  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.687   0.145  -1.493  1.00  0.00           H  
HETATM   71  H   UNL     1     -13.004   1.862  -0.449  1.00  0.00           H  
HETATM   72  H   UNL     1     -13.168   0.434  -1.499  1.00  0.00           H  
HETATM   73  H   UNL     1     -15.485   2.152  -0.454  1.00  0.00           H  
HETATM   74  H   UNL     1     -15.650   0.724  -1.504  1.00  0.00           H  
HETATM   75  H   UNL     1     -17.967   2.442  -0.459  1.00  0.00           H  
HETATM   76  H   UNL     1     -18.131   1.014  -1.509  1.00  0.00           H  
HETATM   77  H   UNL     1     -19.522  -0.096   0.218  1.00  0.00           H  
HETATM   78  H   UNL     1     -19.358   1.332   1.268  1.00  0.00           H  
HETATM   79  H   UNL     1     -20.613   1.304  -1.514  1.00  0.00           H  
HETATM   80  H   UNL     1     -21.503   1.384   0.025  1.00  0.00           H  
HETATM   81  H   UNL     1     -20.448   2.732  -0.464  1.00  0.00           H  
HETATM   82  H   UNL     1       7.781  -3.166   0.571  1.00  0.00           H  
HETATM   83  H   UNL     1       8.992  -1.219   1.082  1.00  0.00           H  
HETATM   84  H   UNL     1       7.141   1.433   1.349  1.00  0.00           H  
HETATM   85  H   UNL     1      12.604   2.361  -2.069  1.00  0.00           H  
HETATM   86  H   UNL     1      11.682   5.576   1.031  1.00  0.00           H  
HETATM   87  H   UNL     1      10.243   5.115   1.765  1.00  0.00           H  
HETATM   88  H   UNL     1       3.149  -0.304   2.133  1.00  0.00           H  
HETATM   89  H   UNL     1       9.212  -3.801  -1.236  1.00  0.00           H  
HETATM   90  H   UNL     1      10.627  -2.488  -0.175  1.00  0.00           H  
CONECT    1   15   16   43   44                                       
CONECT    2   16   17   45   46                                       
CONECT    3   18    4   47   48                                       
CONECT    4    3    5   49   50                                       
CONECT    5   19    4   51   52                                       
CONECT    6   19   20   53   54                                       
CONECT    7   20   21   55   56                                       
CONECT    8   21   22   57   58                                       
CONECT    9   10   10   33   29                                       
CONECT   10   11   31    9    9                                       
CONECT   11   30   32   32   10                                       
CONECT   12   34   26   30   59                                       
CONECT   13   14   34   25   60                                       
CONECT   14   35   13   61   62                                       
CONECT   15   37   38   38    1                                       
CONECT   16    1    2   63   64                                       
CONECT   17    2   18   65   66                                       
CONECT   18   17    3   67   68                                       
CONECT   19    5    6   69   70                                       
CONECT   20    6    7   71   72                                       
CONECT   21    7    8   73   74                                       
CONECT   22    8   23   75   76                                       
CONECT   23   22   24   77   78                                       
CONECT   24   23   79   80   81                                       
CONECT   25   13   40   26   82                                       
CONECT   26   25   41   12   83                                       
CONECT   27   30   31   31   84                                       
CONECT   28   32   33   33   85                                       
CONECT   29    9   86   87                                            
CONECT   30   12   27   11                                            
CONECT   31   27   27   10                                            
CONECT   32   11   11   28                                            
CONECT   33   28   28    9                                            
CONECT   34   13   12                                                 
CONECT   35   42   14                                                 
CONECT   36   42   42                                                 
CONECT   37   42   15                                                 
CONECT   38   15   15                                                 
CONECT   39   42   88                                                 
CONECT   40   25   89                                                 
CONECT   41   26   90                                                 
CONECT   42   36   36   39   35                                       
CONECT   42   37                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   29                                                      
CONECT   87   29                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
