COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.509   4.870   2.408  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.196   4.771   1.692  1.00  0.00           C  
HETATM    3  C   UNL     1       3.947  -3.577  -0.260  1.00  0.00           C  
HETATM    4  C   UNL     1       4.259  -2.206   1.679  1.00  0.00           C  
HETATM    5  C   UNL     1       4.984  -1.102   2.389  1.00  0.00           C  
HETATM    6  C   UNL     1       4.852   0.239   1.714  1.00  0.00           C  
HETATM    7  C   UNL     1       4.684   2.723   0.499  1.00  0.00           C  
HETATM    8  C   UNL     1       4.118   1.246   2.302  1.00  0.00           C  
HETATM    9  C   UNL     1       5.485   0.465   0.501  1.00  0.00           C  
HETATM   10  C   UNL     1       5.391   1.696  -0.109  1.00  0.00           C  
HETATM   11  C   UNL     1       4.051   2.510   1.707  1.00  0.00           C  
HETATM   12  C   UNL     1       3.334   3.619   2.409  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.785  -3.510   3.493  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.119   3.812  -0.113  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.142   2.962   2.329  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.663   2.697   0.497  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.105   4.518   0.508  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.612   4.094   1.727  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.184   2.270   1.722  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.804   1.098   2.417  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.689  -0.214   1.702  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.551  -2.678   0.434  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.254  -0.386   0.444  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.044  -1.275   2.309  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.992  -2.521   1.685  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.179  -1.607  -0.190  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.372  -3.695   2.387  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.158  -4.258   1.710  1.00  0.00           C  
HETATM   29  C   UNL     1       0.058  -5.394   0.500  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.285  -4.893   0.479  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.918  -4.161   2.307  1.00  0.00           C  
HETATM   32  C   UNL     1       0.199  -4.752   1.711  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.182  -5.454  -0.122  1.00  0.00           C  
HETATM   34  C   UNL     1       1.528  -4.717   2.406  1.00  0.00           C  
HETATM   35  C   UNL     1       2.595  -3.951   1.684  1.00  0.00           C  
HETATM   36  C   UNL     1       4.605  -2.544   0.382  1.00  0.00           C  
HETATM   37  C   UNL     1       3.245  -2.905   2.327  1.00  0.00           C  
HETATM   38  C   UNL     1       2.953  -4.281   0.391  1.00  0.00           C  
HETATM   39  O   UNL     1       0.193   4.996  -2.895  1.00  0.00           O  
HETATM   40  P   UNL     1       1.287   5.738  -1.976  1.00  0.00           P  
HETATM   41  O   UNL     1       2.763   5.411  -2.529  1.00  0.00           O  
HETATM   42  O   UNL     1       1.057   7.199  -2.017  1.00  0.00           O  
HETATM   43  C   UNL     1       1.138   5.150  -0.266  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.078   5.228   0.386  1.00  0.00           C  
HETATM   45  P   UNL     1      -4.747   4.357  -1.725  1.00  0.00           P  
HETATM   46  O   UNL     1      -4.663   3.138  -2.773  1.00  0.00           O  
HETATM   47  O   UNL     1      -6.155   4.791  -1.585  1.00  0.00           O  
HETATM   48  O   UNL     1      -3.857   5.587  -2.260  1.00  0.00           O  
HETATM   49  C   UNL     1       2.246   4.630   0.383  1.00  0.00           C  
HETATM   50  C   UNL     1       2.140   4.171   1.679  1.00  0.00           C  
HETATM   51  C   UNL     1       0.909   4.236   2.332  1.00  0.00           C  
HETATM   52  O   UNL     1       0.794   3.769   3.603  1.00  0.00           O  
HETATM   53  O   UNL     1       3.473   1.016   3.477  1.00  0.00           O  
HETATM   54  P   UNL     1       6.194   1.977  -1.712  1.00  0.00           P  
HETATM   55  O   UNL     1       7.661   1.871  -1.554  1.00  0.00           O  
HETATM   56  O   UNL     1       5.686   0.872  -2.767  1.00  0.00           O  
HETATM   57  O   UNL     1       5.816   3.446  -2.251  1.00  0.00           O  
HETATM   58  O   UNL     1       2.889  -2.563   3.593  1.00  0.00           O  
HETATM   59  P   UNL     1       4.390  -4.010  -1.964  1.00  0.00           P  
HETATM   60  O   UNL     1       3.569  -5.319  -2.416  1.00  0.00           O  
HETATM   61  O   UNL     1       4.056  -2.883  -2.863  1.00  0.00           O  
HETATM   62  O   UNL     1       5.970  -4.312  -2.047  1.00  0.00           O  
HETATM   63  P   UNL     1      -1.347  -6.273  -1.732  1.00  0.00           P  
HETATM   64  O   UNL     1      -0.309  -5.619  -2.776  1.00  0.00           O  
HETATM   65  O   UNL     1      -1.054  -7.716  -1.584  1.00  0.00           O  
HETATM   66  O   UNL     1      -2.849  -6.084  -2.280  1.00  0.00           O  
HETATM   67  P   UNL     1      -5.901  -1.815  -1.841  1.00  0.00           P  
HETATM   68  O   UNL     1      -4.825  -2.096  -2.818  1.00  0.00           O  
HETATM   69  O   UNL     1      -6.942  -3.043  -1.820  1.00  0.00           O  
HETATM   70  O   UNL     1      -6.670  -0.465  -2.264  1.00  0.00           O  
HETATM   71  O   UNL     1      -3.452  -1.103   3.521  1.00  0.00           O  
HETATM   72  O   UNL     1      -2.639   2.527   3.514  1.00  0.00           O  
HETATM   73  H   UNL     1      -1.395   4.516   3.431  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.802   5.925   2.447  1.00  0.00           H  
HETATM   75  H   UNL     1       4.623  -1.029   3.414  1.00  0.00           H  
HETATM   76  H   UNL     1       6.048  -1.361   2.430  1.00  0.00           H  
HETATM   77  H   UNL     1       4.648   3.693   0.028  1.00  0.00           H  
HETATM   78  H   UNL     1       6.061  -0.321   0.035  1.00  0.00           H  
HETATM   79  H   UNL     1       3.019   3.270   3.393  1.00  0.00           H  
HETATM   80  H   UNL     1       4.045   4.438   2.567  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.896  -4.078   4.268  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.466   2.165   0.012  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.702   5.401   0.035  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.360   1.001   3.408  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.869   1.314   2.558  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.507  -3.634  -0.065  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.773   0.430  -0.034  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.115  -3.410   3.406  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.124  -4.490   2.448  1.00  0.00           H  
HETATM   90  H   UNL     1       0.908  -5.872   0.036  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.250  -4.966   0.002  1.00  0.00           H  
HETATM   92  H   UNL     1       1.396  -4.293   3.401  1.00  0.00           H  
HETATM   93  H   UNL     1       1.875  -5.749   2.532  1.00  0.00           H  
HETATM   94  H   UNL     1       5.392  -2.012  -0.130  1.00  0.00           H  
HETATM   95  H   UNL     1       2.467  -5.100  -0.116  1.00  0.00           H  
HETATM   96  H   UNL     1       0.284   4.034  -2.915  1.00  0.00           H  
HETATM   97  H   UNL     1       2.914   5.698  -3.440  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.930   5.654  -0.121  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.983   3.358  -3.659  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.921   5.374  -2.375  1.00  0.00           H  
HETATM  101  H   UNL     1       3.191   4.593  -0.135  1.00  0.00           H  
HETATM  102  H   UNL     1       0.968   4.434   4.283  1.00  0.00           H  
HETATM  103  H   UNL     1       4.003   1.212   4.261  1.00  0.00           H  
HETATM  104  H   UNL     1       6.074   0.961  -3.648  1.00  0.00           H  
HETATM  105  H   UNL     1       4.868   3.587  -2.378  1.00  0.00           H  
HETATM  106  H   UNL     1       3.382  -3.032   4.280  1.00  0.00           H  
HETATM  107  H   UNL     1       3.757  -5.609  -3.319  1.00  0.00           H  
HETATM  108  H   UNL     1       6.261  -5.041  -1.482  1.00  0.00           H  
HETATM  109  H   UNL     1      -0.443  -4.673  -2.922  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.010  -6.498  -3.139  1.00  0.00           H  
HETATM  111  H   UNL     1      -7.675  -2.926  -1.201  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.082  -0.505  -3.138  1.00  0.00           H  
HETATM  113  H   UNL     1      -4.034  -1.282   4.272  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.909   1.899   3.425  1.00  0.00           H  
CONECT    1    2   18   73   74                                       
CONECT    2   51    1   44   44                                       
CONECT    3   59   38   38   36                                       
CONECT    4   36   36   37    5                                       
CONECT    5    4    6   75   76                                       
CONECT    6    5    9    9    8                                       
CONECT    7   10   10   11   77                                       
CONECT    8    6   53   11   11                                       
CONECT    9    6    6   10   78                                       
CONECT   10    9   54    7    7                                       
CONECT   11    8    8    7   12                                       
CONECT   12   11   50   79   80                                       
CONECT   13   31   81                                                 
CONECT   14   16   16   17   45                                       
CONECT   15   72   19   19   18                                       
CONECT   16   19   14   14   82                                       
CONECT   17   18   18   14   83                                       
CONECT   18   15    1   17   17                                       
CONECT   19   20   15   15   16                                       
CONECT   20   21   19   84   85                                       
CONECT   21   24   24   23   20                                       
CONECT   22   25   25   26   86                                       
CONECT   23   26   26   21   87                                       
CONECT   24   25   71   21   21                                       
CONECT   25   27   22   22   24                                       
CONECT   26   22   23   23   67                                       
CONECT   27   28   25   88   89                                       
CONECT   28   30   30   31   27                                       
CONECT   29   33   33   32   90                                       
CONECT   30   33   28   28   91                                       
CONECT   31   32   32   28   13                                       
CONECT   32   29   34   31   31                                       
CONECT   33   63   29   29   30                                       
CONECT   34   35   32   92   93                                       
CONECT   35   38   34   37   37                                       
CONECT   36    3    4    4   94                                       
CONECT   37   35   35    4   58                                       
CONECT   38    3    3   35   95                                       
CONECT   39   40   96                                                 
CONECT   40   43   42   42   41                                       
CONECT   40   39                                                      
CONECT   41   40   97                                                 
CONECT   42   40   40                                                 
CONECT   43   49   49   44   40                                       
CONECT   44    2    2   43   98                                       
CONECT   45   14   47   47   48                                       
CONECT   45   46                                                      
CONECT   46   45   99                                                 
CONECT   47   45   45                                                 
CONECT   48   45  100                                                 
CONECT   49   50   43   43  101                                       
CONECT   50   12   51   51   49                                       
CONECT   51   52   50   50    2                                       
CONECT   52   51  102                                                 
CONECT   53    8  103                                                 
CONECT   54   55   55   56   10                                       
CONECT   54   57                                                      
CONECT   55   54   54                                                 
CONECT   56   54  104                                                 
CONECT   57   54  105                                                 
CONECT   58   37  106                                                 
CONECT   59   61   61   62   60                                       
CONECT   59    3                                                      
CONECT   60   59  107                                                 
CONECT   61   59   59                                                 
CONECT   62   59  108                                                 
CONECT   63   65   65   64   66                                       
CONECT   63   33                                                      
CONECT   64   63  109                                                 
CONECT   65   63   63                                                 
CONECT   66   63  110                                                 
CONECT   67   68   68   26   70                                       
CONECT   67   69                                                      
CONECT   68   67   67                                                 
CONECT   69   67  111                                                 
CONECT   70   67  112                                                 
CONECT   71   24  113                                                 
CONECT   72   15  114                                                 
CONECT   73    1                                                      
CONECT   74    1                                                      
CONECT   75    5                                                      
CONECT   76    5                                                      
CONECT   77    7                                                      
CONECT   78    9                                                      
CONECT   79   12                                                      
CONECT   80   12                                                      
CONECT   81   13                                                      
CONECT   82   16                                                      
CONECT   83   17                                                      
CONECT   84   20                                                      
CONECT   85   20                                                      
CONECT   86   22                                                      
CONECT   87   23                                                      
CONECT   88   27                                                      
CONECT   89   27                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   34                                                      
CONECT   93   34                                                      
CONECT   94   36                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   41                                                      
CONECT   98   44                                                      
CONECT   99   46                                                      
CONECT  100   48                                                      
CONECT  101   49                                                      
CONECT  102   52                                                      
CONECT  103   53                                                      
CONECT  104   56                                                      
CONECT  105   57                                                      
CONECT  106   58                                                      
CONECT  107   60                                                      
CONECT  108   62                                                      
CONECT  109   64                                                      
CONECT  110   66                                                      
CONECT  111   69                                                      
CONECT  112   70                                                      
CONECT  113   71                                                      
CONECT  114   72                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
