COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.612  -1.437   0.360  1.00  0.00           C  
HETATM    2  O   UNL     1       1.451  -0.640   0.115  1.00  0.00           O  
HETATM    3  C   UNL     1       3.868  -0.603   0.102  1.00  0.00           C  
HETATM    4  O   UNL     1       3.935   0.481   1.067  1.00  0.00           O  
HETATM    5  C   UNL     1       3.344   1.637   0.727  1.00  0.00           C  
HETATM    6  O   UNL     1       2.789   1.741  -0.341  1.00  0.00           O  
HETATM    7  C   UNL     1       3.373   2.806   1.678  1.00  0.00           C  
HETATM    8  C   UNL     1       5.107  -1.489   0.243  1.00  0.00           C  
HETATM    9  C   UNL     1       0.217  -1.329   0.327  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.951  -0.384   0.036  1.00  0.00           C  
HETATM   11  O   UNL     1       6.271  -0.739  -0.110  1.00  0.00           O  
HETATM   12  P   UNL     1       7.756  -1.360  -0.077  1.00  0.00           P  
HETATM   13  O   UNL     1       8.135  -1.711   1.379  1.00  0.00           O1-
HETATM   14  O   UNL     1       7.800  -2.638  -0.944  1.00  0.00           O  
HETATM   15  O   UNL     1       8.801  -0.281  -0.658  1.00  0.00           O  
HETATM   16  C   UNL     1      10.187  -0.569  -0.857  1.00  0.00           C  
HETATM   17  C   UNL     1      10.889   0.669  -1.418  1.00  0.00           C  
HETATM   18  N   UNL     1      10.887   1.734  -0.407  1.00  0.00           N1+
HETATM   19  C   UNL     1      11.477   1.228   0.840  1.00  0.00           C  
HETATM   20  C   UNL     1      11.676   2.874  -0.894  1.00  0.00           C  
HETATM   21  C   UNL     1       9.506   2.167  -0.154  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.272  -1.121   0.264  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.440  -0.177  -0.027  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.761  -0.914   0.201  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.929   0.031  -0.090  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.250  -0.707   0.138  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.418   0.238  -0.153  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.739  -0.500   0.074  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.907   0.445  -0.216  1.00  0.00           C  
HETATM   30  C   UNL     1     -12.228  -0.292   0.011  1.00  0.00           C  
HETATM   31  C   UNL     1     -13.396   0.653  -0.279  1.00  0.00           C  
HETATM   32  C   UNL     1     -14.717  -0.085  -0.052  1.00  0.00           C  
HETATM   33  C   UNL     1     -15.885   0.860  -0.342  1.00  0.00           C  
HETATM   34  C   UNL     1     -17.206   0.123  -0.115  1.00  0.00           C  
HETATM   35  C   UNL     1     -18.374   1.067  -0.405  1.00  0.00           C  
HETATM   36  H   UNL     1       2.607  -1.777   1.395  1.00  0.00           H  
HETATM   37  H   UNL     1       2.606  -2.300  -0.306  1.00  0.00           H  
HETATM   38  H   UNL     1       3.829  -0.189  -0.905  1.00  0.00           H  
HETATM   39  H   UNL     1       4.258   3.411   1.483  1.00  0.00           H  
HETATM   40  H   UNL     1       2.479   3.413   1.536  1.00  0.00           H  
HETATM   41  H   UNL     1       3.403   2.439   2.704  1.00  0.00           H  
HETATM   42  H   UNL     1       5.194  -1.830   1.275  1.00  0.00           H  
HETATM   43  H   UNL     1       5.015  -2.350  -0.418  1.00  0.00           H  
HETATM   44  H   UNL     1       0.162  -2.190  -0.339  1.00  0.00           H  
HETATM   45  H   UNL     1       0.163  -1.666   1.362  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.896   0.477   0.703  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.896  -0.047  -0.998  1.00  0.00           H  
HETATM   48  H   UNL     1      10.641  -0.844   0.095  1.00  0.00           H  
HETATM   49  H   UNL     1      10.289  -1.395  -1.560  1.00  0.00           H  
HETATM   50  H   UNL     1      11.917   0.417  -1.678  1.00  0.00           H  
HETATM   51  H   UNL     1      10.363   1.013  -2.309  1.00  0.00           H  
HETATM   52  H   UNL     1      12.501   0.907   0.653  1.00  0.00           H  
HETATM   53  H   UNL     1      11.475   2.018   1.590  1.00  0.00           H  
HETATM   54  H   UNL     1      10.891   0.382   1.201  1.00  0.00           H  
HETATM   55  H   UNL     1      11.238   3.250  -1.818  1.00  0.00           H  
HETATM   56  H   UNL     1      11.674   3.664  -0.143  1.00  0.00           H  
HETATM   57  H   UNL     1      12.700   2.553  -1.081  1.00  0.00           H  
HETATM   58  H   UNL     1       8.973   1.385   0.387  1.00  0.00           H  
HETATM   59  H   UNL     1       9.514   3.080   0.441  1.00  0.00           H  
HETATM   60  H   UNL     1       9.005   2.357  -1.104  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.327  -1.982  -0.402  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.326  -1.459   1.299  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.385   0.684   0.640  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.385   0.161  -1.062  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.816  -1.775  -0.465  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.815  -1.252   1.236  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.874   0.892   0.576  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.874   0.368  -1.125  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.305  -1.568  -0.529  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.304  -1.044   1.173  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.363   1.099   0.513  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.363   0.575  -1.188  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.794  -1.360  -0.592  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.793  -0.837   1.110  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.852   1.306   0.450  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.852   0.783  -1.251  1.00  0.00           H  
HETATM   77  H   UNL     1     -12.283  -1.153  -0.655  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.282  -0.629   1.046  1.00  0.00           H  
HETATM   79  H   UNL     1     -13.341   1.514   0.387  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.342   0.990  -1.314  1.00  0.00           H  
HETATM   81  H   UNL     1     -14.772  -0.946  -0.718  1.00  0.00           H  
HETATM   82  H   UNL     1     -14.771  -0.422   0.983  1.00  0.00           H  
HETATM   83  H   UNL     1     -15.830   1.721   0.324  1.00  0.00           H  
HETATM   84  H   UNL     1     -15.831   1.197  -1.377  1.00  0.00           H  
HETATM   85  H   UNL     1     -17.261  -0.738  -0.781  1.00  0.00           H  
HETATM   86  H   UNL     1     -17.260  -0.215   0.920  1.00  0.00           H  
HETATM   87  H   UNL     1     -19.315   0.542  -0.243  1.00  0.00           H  
HETATM   88  H   UNL     1     -18.319   1.928   0.261  1.00  0.00           H  
HETATM   89  H   UNL     1     -18.320   1.405  -1.441  1.00  0.00           H  
CONECT    1    2    3   36   37                                       
CONECT    2    1    9                                                 
CONECT    3    1    4    8   38                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   39   40   41                                       
CONECT    8    3   11   42   43                                       
CONECT    9    2   10   44   45                                       
CONECT   10    9   22   46   47                                       
CONECT   11    8   12                                                 
CONECT   12   11   13   14   14                                       
CONECT   12   15                                                      
CONECT   13   12                                                      
CONECT   14   12   12                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   48   49                                       
CONECT   17   16   18   50   51                                       
CONECT   18   17   19   20   21                                       
CONECT   19   18   52   53   54                                       
CONECT   20   18   55   56   57                                       
CONECT   21   18   58   59   60                                       
CONECT   22   10   23   61   62                                       
CONECT   23   22   24   63   64                                       
CONECT   24   23   25   65   66                                       
CONECT   25   24   26   67   68                                       
CONECT   26   25   27   69   70                                       
CONECT   27   26   28   71   72                                       
CONECT   28   27   29   73   74                                       
CONECT   29   28   30   75   76                                       
CONECT   30   29   31   77   78                                       
CONECT   31   30   32   79   80                                       
CONECT   32   31   33   81   82                                       
CONECT   33   32   34   83   84                                       
CONECT   34   33   35   85   86                                       
CONECT   35   34   87   88   89                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   27                                                      
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   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   35                                                      
CONECT   89   35                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
