COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.604  -1.801  -0.565  1.00  0.00           C  
HETATM    2  C   UNL     1      10.711  -0.857   0.241  1.00  0.00           C  
HETATM    3  C   UNL     1       9.331  -0.774  -0.416  1.00  0.00           C  
HETATM    4  C   UNL     1       8.438   0.170   0.390  1.00  0.00           C  
HETATM    5  C   UNL     1       7.059   0.253  -0.267  1.00  0.00           C  
HETATM    6  C   UNL     1       6.165   1.197   0.540  1.00  0.00           C  
HETATM    7  C   UNL     1       4.786   1.280  -0.117  1.00  0.00           C  
HETATM    8  C   UNL     1       3.892   2.224   0.689  1.00  0.00           C  
HETATM    9  C   UNL     1       2.513   2.307   0.032  1.00  0.00           C  
HETATM   10  C   UNL     1       1.620   3.252   0.838  1.00  0.00           C  
HETATM   11  C   UNL     1       0.261   3.333   0.191  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.814   3.066   0.890  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.173   3.148   0.243  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.020   3.418  -1.152  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.906   1.818   0.428  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.063   1.540   1.862  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.285   1.900  -0.230  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.924   0.624  -0.159  1.00  0.00           O  
HETATM   19  P   UNL     1      -6.393   0.344  -0.755  1.00  0.00           P  
HETATM   20  O   UNL     1      -7.478   1.207   0.065  1.00  0.00           O  
HETATM   21  O   UNL     1      -6.430   0.734  -2.182  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.739  -1.222  -0.618  1.00  0.00           O  
HETATM   23  C   UNL     1      -7.930  -1.806  -1.150  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.943  -3.305  -0.844  1.00  0.00           C  
HETATM   25  N   UNL     1      -8.063  -3.508   0.606  1.00  0.00           N1+
HETATM   26  C   UNL     1      -9.241  -2.787   1.106  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.210  -4.942   0.889  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.857  -2.999   1.273  1.00  0.00           C  
HETATM   29  C   UNL     1      12.983  -1.884   0.092  1.00  0.00           C  
HETATM   30  C   UNL     1      13.877  -2.828  -0.715  1.00  0.00           C  
HETATM   31  C   UNL     1      15.256  -2.911  -0.058  1.00  0.00           C  
HETATM   32  H   UNL     1      11.154  -2.794  -0.591  1.00  0.00           H  
HETATM   33  H   UNL     1      11.708  -1.423  -1.582  1.00  0.00           H  
HETATM   34  H   UNL     1      10.606  -1.235   1.258  1.00  0.00           H  
HETATM   35  H   UNL     1      11.161   0.136   0.267  1.00  0.00           H  
HETATM   36  H   UNL     1       9.436  -0.396  -1.433  1.00  0.00           H  
HETATM   37  H   UNL     1       8.881  -1.766  -0.442  1.00  0.00           H  
HETATM   38  H   UNL     1       8.334  -0.208   1.407  1.00  0.00           H  
HETATM   39  H   UNL     1       8.888   1.163   0.416  1.00  0.00           H  
HETATM   40  H   UNL     1       7.163   0.631  -1.284  1.00  0.00           H  
HETATM   41  H   UNL     1       6.609  -0.739  -0.293  1.00  0.00           H  
HETATM   42  H   UNL     1       6.061   0.819   1.557  1.00  0.00           H  
HETATM   43  H   UNL     1       6.615   2.190   0.566  1.00  0.00           H  
HETATM   44  H   UNL     1       4.890   1.658  -1.134  1.00  0.00           H  
HETATM   45  H   UNL     1       4.336   0.288  -0.143  1.00  0.00           H  
HETATM   46  H   UNL     1       3.788   1.846   1.706  1.00  0.00           H  
HETATM   47  H   UNL     1       4.343   3.217   0.715  1.00  0.00           H  
HETATM   48  H   UNL     1       2.617   2.685  -0.985  1.00  0.00           H  
HETATM   49  H   UNL     1       2.063   1.315   0.006  1.00  0.00           H  
HETATM   50  H   UNL     1       1.516   2.873   1.855  1.00  0.00           H  
HETATM   51  H   UNL     1       2.070   4.244   0.864  1.00  0.00           H  
HETATM   52  H   UNL     1       0.175   3.611  -0.849  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.727   2.788   1.930  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.749   3.948   0.707  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.516   2.745  -1.630  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.330   1.017  -0.037  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.594   2.269   2.315  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.487   0.637   2.011  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.893   2.640   0.292  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.174   2.194  -1.274  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.509   1.003   1.010  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.800  -1.334  -0.694  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.957  -1.655  -2.229  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.791  -3.771  -1.347  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.017  -3.757  -1.199  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.135  -3.165   0.611  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.330  -2.938   2.182  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.132  -1.723   0.896  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.336  -5.477   0.518  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.299  -5.093   1.965  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.105  -5.320   0.394  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.851  -1.910   1.230  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.854  -3.321   2.314  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.972  -3.387   0.769  1.00  0.00           H  
HETATM   75  H   UNL     1      13.434  -0.891   0.118  1.00  0.00           H  
HETATM   76  H   UNL     1      12.879  -2.262   1.109  1.00  0.00           H  
HETATM   77  H   UNL     1      13.427  -3.821  -0.741  1.00  0.00           H  
HETATM   78  H   UNL     1      13.981  -2.450  -1.732  1.00  0.00           H  
HETATM   79  H   UNL     1      15.706  -1.919  -0.032  1.00  0.00           H  
HETATM   80  H   UNL     1      15.152  -3.289   0.959  1.00  0.00           H  
HETATM   81  H   UNL     1      15.892  -3.584  -0.632  1.00  0.00           H  
CONECT    1    2   29   32   33                                       
CONECT    2    1    3   34   35                                       
CONECT    3    2    4   36   37                                       
CONECT    4    3    5   38   39                                       
CONECT    5    4    6   40   41                                       
CONECT    6    5    7   42   43                                       
CONECT    7    6    8   44   45                                       
CONECT    8    7    9   46   47                                       
CONECT    9    8   10   48   49                                       
CONECT   10    9   11   50   51                                       
CONECT   11   10   12   12   52                                       
CONECT   12   11   11   13   53                                       
CONECT   13   12   14   15   54                                       
CONECT   14   13   55                                                 
CONECT   15   13   16   17   56                                       
CONECT   16   15   57   58                                            
CONECT   17   15   18   59   60                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   21   21                                       
CONECT   19   22                                                      
CONECT   20   19   61                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   62   63                                       
CONECT   24   23   25   64   65                                       
CONECT   25   24   26   27   28                                       
CONECT   26   25   66   67   68                                       
CONECT   27   25   69   70   71                                       
CONECT   28   25   72   73   74                                       
CONECT   29    1   30   75   76                                       
CONECT   30   29   31   77   78                                       
CONECT   31   30   79   80   81                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   20                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
