COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.564   1.440  -0.268  1.00  0.00           C  
HETATM    2  C   UNL     1       4.249   0.749   0.098  1.00  0.00           C  
HETATM    3  C   UNL     1       3.076   1.668  -0.250  1.00  0.00           C  
HETATM    4  N   UNL     1      10.759  -2.548   0.020  1.00  0.00           N1+
HETATM    5  P   UNL     1       8.200   1.053  -0.058  1.00  0.00           P  
HETATM    6  C   UNL     1      10.579  -0.119   0.269  1.00  0.00           C  
HETATM    7  O   UNL     1       6.662   0.633   0.164  1.00  0.00           O  
HETATM    8  C   UNL     1      11.180  -1.404   0.840  1.00  0.00           C  
HETATM    9  O   UNL     1       9.160  -0.143   0.431  1.00  0.00           O  
HETATM   10  C   UNL     1       9.306  -2.730   0.142  1.00  0.00           C  
HETATM   11  O   UNL     1       8.436   1.319  -1.495  1.00  0.00           O  
HETATM   12  C   UNL     1      11.104  -2.297  -1.385  1.00  0.00           C  
HETATM   13  O   UNL     1       8.521   2.381   0.794  1.00  0.00           O  
HETATM   14  C   UNL     1      11.445  -3.762   0.483  1.00  0.00           C  
HETATM   15  C   UNL     1       3.442  -1.487  -0.066  1.00  0.00           C  
HETATM   16  O   UNL     1       4.130  -0.491  -0.646  1.00  0.00           O  
HETATM   17  C   UNL     1       3.276  -2.804  -0.779  1.00  0.00           C  
HETATM   18  O   UNL     1       2.955  -1.327   1.028  1.00  0.00           O  
HETATM   19  C   UNL     1       2.458  -3.758   0.094  1.00  0.00           C  
HETATM   20  C   UNL     1       0.705   1.749  -0.026  1.00  0.00           C  
HETATM   21  O   UNL     1       1.836   1.065   0.204  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.620   1.185   0.417  1.00  0.00           C  
HETATM   23  O   UNL     1       0.749   2.817  -0.590  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.740   2.155   0.036  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.086   1.583   0.486  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.206   2.553   0.104  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.552   1.981   0.555  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.672   2.951   0.173  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.017   2.378   0.623  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.121   3.334   0.248  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.154   2.905  -0.435  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.325   1.431  -0.696  1.00  0.00           C  
HETATM   33  C   UNL     1     -11.712   0.988  -0.225  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.886  -0.509  -0.491  1.00  0.00           C  
HETATM   35  C   UNL     1     -13.273  -0.952  -0.020  1.00  0.00           C  
HETATM   36  C   UNL     1     -13.447  -2.449  -0.285  1.00  0.00           C  
HETATM   37  C   UNL     1     -14.834  -2.892   0.186  1.00  0.00           C  
HETATM   38  C   UNL     1     -15.008  -4.389  -0.080  1.00  0.00           C  
HETATM   39  C   UNL     1     -16.395  -4.832   0.391  1.00  0.00           C  
HETATM   40  H   UNL     1       5.615   1.575  -1.348  1.00  0.00           H  
HETATM   41  H   UNL     1       5.613   2.412   0.223  1.00  0.00           H  
HETATM   42  H   UNL     1       4.236   0.534   1.167  1.00  0.00           H  
HETATM   43  H   UNL     1       3.212   2.632   0.239  1.00  0.00           H  
HETATM   44  H   UNL     1       3.036   1.812  -1.330  1.00  0.00           H  
HETATM   45  H   UNL     1      10.990   0.741   0.798  1.00  0.00           H  
HETATM   46  H   UNL     1      10.822  -0.043  -0.791  1.00  0.00           H  
HETATM   47  H   UNL     1      10.833  -1.544   1.864  1.00  0.00           H  
HETATM   48  H   UNL     1      12.268  -1.332   0.831  1.00  0.00           H  
HETATM   49  H   UNL     1       8.794  -1.916  -0.372  1.00  0.00           H  
HETATM   50  H   UNL     1       9.020  -3.681  -0.307  1.00  0.00           H  
HETATM   51  H   UNL     1       9.027  -2.727   1.196  1.00  0.00           H  
HETATM   52  H   UNL     1      12.182  -2.162  -1.476  1.00  0.00           H  
HETATM   53  H   UNL     1      10.792  -3.145  -1.994  1.00  0.00           H  
HETATM   54  H   UNL     1      10.596  -1.396  -1.729  1.00  0.00           H  
HETATM   55  H   UNL     1       8.388   2.280   1.746  1.00  0.00           H  
HETATM   56  H   UNL     1      11.189  -3.948   1.526  1.00  0.00           H  
HETATM   57  H   UNL     1      11.132  -4.610  -0.125  1.00  0.00           H  
HETATM   58  H   UNL     1      12.523  -3.627   0.393  1.00  0.00           H  
HETATM   59  H   UNL     1       2.759  -2.643  -1.724  1.00  0.00           H  
HETATM   60  H   UNL     1       4.257  -3.239  -0.971  1.00  0.00           H  
HETATM   61  H   UNL     1       2.975  -3.919   1.040  1.00  0.00           H  
HETATM   62  H   UNL     1       1.477  -3.323   0.287  1.00  0.00           H  
HETATM   63  H   UNL     1       2.338  -4.710  -0.422  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.789   0.226  -0.072  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.613   1.046   1.498  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.572   3.115   0.524  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.748   2.294  -1.046  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.254   0.623  -0.003  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.078   1.444   1.567  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.038   3.513   0.593  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.214   2.692  -0.977  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.720   1.021   0.066  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.544   1.842   1.636  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.503   3.910   0.662  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.680   3.089  -0.908  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.186   1.418   0.135  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.010   2.239   1.704  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.060   4.371   0.541  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.882   3.609  -0.810  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.226   1.238  -1.764  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.562   0.874  -0.153  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.812   1.181   0.843  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.476   1.545  -0.768  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.786  -0.702  -1.559  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.123  -1.066   0.052  1.00  0.00           H  
HETATM   86  H   UNL     1     -13.373  -0.759   1.048  1.00  0.00           H  
HETATM   87  H   UNL     1     -14.036  -0.396  -0.563  1.00  0.00           H  
HETATM   88  H   UNL     1     -13.347  -2.642  -1.354  1.00  0.00           H  
HETATM   89  H   UNL     1     -12.684  -3.006   0.258  1.00  0.00           H  
HETATM   90  H   UNL     1     -14.934  -2.699   1.254  1.00  0.00           H  
HETATM   91  H   UNL     1     -15.597  -2.336  -0.357  1.00  0.00           H  
HETATM   92  H   UNL     1     -14.908  -4.583  -1.148  1.00  0.00           H  
HETATM   93  H   UNL     1     -14.244  -4.946   0.463  1.00  0.00           H  
HETATM   94  H   UNL     1     -16.519  -5.899   0.202  1.00  0.00           H  
HETATM   95  H   UNL     1     -16.494  -4.639   1.459  1.00  0.00           H  
HETATM   96  H   UNL     1     -17.158  -4.276  -0.152  1.00  0.00           H  
CONECT    1    2    7   40   41                                       
CONECT    2    3   16    1   42                                       
CONECT    3   21    2   43   44                                       
CONECT    4   10   14    8   12                                       
CONECT    5    9   11   11    7                                       
CONECT    5   13                                                      
CONECT    6    8    9   45   46                                       
CONECT    7    5    1                                                 
CONECT    8    4    6   47   48                                       
CONECT    9    6    5                                                 
CONECT   10    4   49   50   51                                       
CONECT   11    5    5                                                 
CONECT   12    4   52   53   54                                       
CONECT   13    5   55                                                 
CONECT   14    4   56   57   58                                       
CONECT   15   16   17   18   18                                       
CONECT   16    2   15                                                 
CONECT   17   19   15   59   60                                       
CONECT   18   15   15                                                 
CONECT   19   17   61   62   63                                       
CONECT   20   22   23   23   21                                       
CONECT   21   20    3                                                 
CONECT   22   24   20   64   65                                       
CONECT   23   20   20                                                 
CONECT   24   25   22   66   67                                       
CONECT   25   26   24   68   69                                       
CONECT   26   27   25   70   71                                       
CONECT   27   28   26   72   73                                       
CONECT   28   29   27   74   75                                       
CONECT   29   30   28   76   77                                       
CONECT   30   29   31   31   78                                       
CONECT   31   30   30   32   79                                       
CONECT   32   33   31   80   81                                       
CONECT   33   32   34   82   83                                       
CONECT   34   33   35   84   85                                       
CONECT   35   34   36   86   87                                       
CONECT   36   35   37   88   89                                       
CONECT   37   36   38   90   91                                       
CONECT   38   37   39   92   93                                       
CONECT   39   38   94   95   96                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   38                                                      
CONECT   94   39                                                      
CONECT   95   39                                                      
CONECT   96   39                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
