COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -12.758   2.270   1.068  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.482   1.469   1.029  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.361   2.323   0.434  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.066   1.510   0.395  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.945   2.364  -0.200  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.650   1.551  -0.240  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.529   2.405  -0.834  1.00  0.00           C  
HETATM    8  C   UNL     1     -18.654  -6.944   0.892  1.00  0.00           C  
HETATM    9  C   UNL     1     -17.476  -6.190   0.272  1.00  0.00           C  
HETATM   10  C   UNL     1     -17.453  -4.755   0.803  1.00  0.00           C  
HETATM   11  C   UNL     1     -16.275  -4.001   0.182  1.00  0.00           C  
HETATM   12  C   UNL     1     -16.252  -2.566   0.713  1.00  0.00           C  
HETATM   13  C   UNL     1     -15.074  -1.812   0.093  1.00  0.00           C  
HETATM   14  C   UNL     1     -15.051  -0.377   0.624  1.00  0.00           C  
HETATM   15  C   UNL     1     -13.873   0.377   0.004  1.00  0.00           C  
HETATM   16  C   UNL     1     -13.850   1.790   0.527  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.233   1.592  -0.874  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.129   2.433  -1.460  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.881   2.790  -2.165  1.00  0.00           C  
HETATM   20  C   UNL     1       0.151   1.944  -2.914  1.00  0.00           C  
HETATM   21  C   UNL     1       1.805   0.287  -2.470  1.00  0.00           C  
HETATM   22  C   UNL     1       2.581  -0.622  -1.551  1.00  0.00           C  
HETATM   23  C   UNL     1       3.589  -1.433  -2.368  1.00  0.00           C  
HETATM   24  C   UNL     1       4.377  -2.355  -1.435  1.00  0.00           C  
HETATM   25  C   UNL     1       5.370  -3.154  -2.240  1.00  0.00           C  
HETATM   26  C   UNL     1       6.623  -3.210  -1.863  1.00  0.00           C  
HETATM   27  C   UNL     1       7.044  -2.598  -0.552  1.00  0.00           C  
HETATM   28  C   UNL     1       7.775  -3.628   0.271  1.00  0.00           C  
HETATM   29  C   UNL     1       8.960  -3.355   0.759  1.00  0.00           C  
HETATM   30  C   UNL     1       9.521  -1.961   0.642  1.00  0.00           C  
HETATM   31  C   UNL     1       9.951  -1.477   2.003  1.00  0.00           C  
HETATM   32  C   UNL     1      11.169  -1.031   2.184  1.00  0.00           C  
HETATM   33  C   UNL     1      12.095  -0.867   1.006  1.00  0.00           C  
HETATM   34  C   UNL     1      12.711   0.508   1.039  1.00  0.00           C  
HETATM   35  C   UNL     1      14.013   0.642   1.085  1.00  0.00           C  
HETATM   36  C   UNL     1      14.887  -0.566   1.310  1.00  0.00           C  
HETATM   37  C   UNL     1      15.812  -0.757   0.106  1.00  0.00           C  
HETATM   38  C   UNL     1      16.699  -1.983   0.335  1.00  0.00           C  
HETATM   39  C   UNL     1      17.624  -2.174  -0.869  1.00  0.00           C  
HETATM   40  C   UNL     1      18.511  -3.400  -0.640  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.186   3.570  -1.046  1.00  0.00           C  
HETATM   42  C   UNL     1       3.065   1.987   2.799  1.00  0.00           C  
HETATM   43  C   UNL     1       3.613   0.602   3.150  1.00  0.00           C  
HETATM   44  N   UNL     1       4.404   0.088   2.023  1.00  0.00           N  
HETATM   45  O   UNL     1      -3.355   3.567  -1.810  1.00  0.00           O  
HETATM   46  O   UNL     1      -1.895   1.923  -1.593  1.00  0.00           O  
HETATM   47  O   UNL     1       0.858   1.097  -1.970  1.00  0.00           O  
HETATM   48  O   UNL     1       2.034   0.285  -3.656  1.00  0.00           O  
HETATM   49  O   UNL     1       0.525   2.661  -0.204  1.00  0.00           O  
HETATM   50  O   UNL     1       0.380   3.764   2.178  1.00  0.00           O  
HETATM   51  O   UNL     1       2.361   4.160   0.666  1.00  0.00           O  
HETATM   52  O   UNL     1       2.145   1.873   1.712  1.00  0.00           O  
HETATM   53  P   UNL     1       1.374   3.137   1.079  1.00  0.00           P  
HETATM   54  H   UNL     1     -12.773   3.239   1.546  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.211   1.168   2.041  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.629   0.582   0.413  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.632   2.625  -0.578  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.214   3.211   1.050  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.795   1.209   1.407  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.213   0.623  -0.221  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.215   2.666  -1.212  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.798   3.251   0.416  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.379   1.250   0.772  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.796   0.664  -0.856  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.799   2.706  -1.846  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.382   3.292  -0.218  1.00  0.00           H  
HETATM   67  H   UNL     1     -19.586  -6.444   0.628  1.00  0.00           H  
HETATM   68  H   UNL     1     -18.671  -7.966   0.514  1.00  0.00           H  
HETATM   69  H   UNL     1     -18.545  -6.960   1.976  1.00  0.00           H  
HETATM   70  H   UNL     1     -16.545  -6.691   0.536  1.00  0.00           H  
HETATM   71  H   UNL     1     -17.586  -6.174  -0.813  1.00  0.00           H  
HETATM   72  H   UNL     1     -18.385  -4.255   0.539  1.00  0.00           H  
HETATM   73  H   UNL     1     -17.344  -4.771   1.887  1.00  0.00           H  
HETATM   74  H   UNL     1     -15.344  -4.502   0.447  1.00  0.00           H  
HETATM   75  H   UNL     1     -16.384  -3.985  -0.902  1.00  0.00           H  
HETATM   76  H   UNL     1     -17.183  -2.066   0.449  1.00  0.00           H  
HETATM   77  H   UNL     1     -16.142  -2.582   1.798  1.00  0.00           H  
HETATM   78  H   UNL     1     -14.142  -2.313   0.357  1.00  0.00           H  
HETATM   79  H   UNL     1     -15.183  -1.796  -0.991  1.00  0.00           H  
HETATM   80  H   UNL     1     -15.982   0.123   0.360  1.00  0.00           H  
HETATM   81  H   UNL     1     -14.941  -0.393   1.709  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.941  -0.124   0.268  1.00  0.00           H  
HETATM   83  H   UNL     1     -13.982   0.393  -1.081  1.00  0.00           H  
HETATM   84  H   UNL     1     -14.734   2.407   0.456  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.963   1.290   0.138  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.380   0.705  -1.490  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.349   3.489  -2.858  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.356   1.322  -3.652  1.00  0.00           H  
HETATM   89  H   UNL     1       0.862   2.600  -3.417  1.00  0.00           H  
HETATM   90  H   UNL     1       3.111  -0.023  -0.811  1.00  0.00           H  
HETATM   91  H   UNL     1       1.893  -1.300  -1.045  1.00  0.00           H  
HETATM   92  H   UNL     1       3.059  -2.032  -3.108  1.00  0.00           H  
HETATM   93  H   UNL     1       4.276  -0.754  -2.874  1.00  0.00           H  
HETATM   94  H   UNL     1       4.907  -1.756  -0.695  1.00  0.00           H  
HETATM   95  H   UNL     1       3.689  -3.033  -0.929  1.00  0.00           H  
HETATM   96  H   UNL     1       5.048  -3.679  -3.126  1.00  0.00           H  
HETATM   97  H   UNL     1       7.354  -3.696  -2.492  1.00  0.00           H  
HETATM   98  H   UNL     1       7.703  -1.751  -0.742  1.00  0.00           H  
HETATM   99  H   UNL     1       6.162  -2.259  -0.010  1.00  0.00           H  
HETATM  100  H   UNL     1       7.322  -4.590   0.458  1.00  0.00           H  
HETATM  101  H   UNL     1       9.534  -4.129   1.246  1.00  0.00           H  
HETATM  102  H   UNL     1      10.380  -1.970  -0.029  1.00  0.00           H  
HETATM  103  H   UNL     1       8.756  -1.294   0.244  1.00  0.00           H  
HETATM  104  H   UNL     1       9.255  -1.498   2.829  1.00  0.00           H  
HETATM  105  H   UNL     1      11.510  -0.780   3.178  1.00  0.00           H  
HETATM  106  H   UNL     1      12.882  -1.619   1.055  1.00  0.00           H  
HETATM  107  H   UNL     1      11.531  -0.990   0.081  1.00  0.00           H  
HETATM  108  H   UNL     1      12.078   1.384   1.024  1.00  0.00           H  
HETATM  109  H   UNL     1      14.461   1.617   0.961  1.00  0.00           H  
HETATM  110  H   UNL     1      15.485  -0.418   2.209  1.00  0.00           H  
HETATM  111  H   UNL     1      14.261  -1.450   1.431  1.00  0.00           H  
HETATM  112  H   UNL     1      15.213  -0.904  -0.793  1.00  0.00           H  
HETATM  113  H   UNL     1      16.438   0.127  -0.015  1.00  0.00           H  
HETATM  114  H   UNL     1      17.298  -1.835   1.234  1.00  0.00           H  
HETATM  115  H   UNL     1      16.073  -2.867   0.456  1.00  0.00           H  
HETATM  116  H   UNL     1      17.025  -2.321  -1.768  1.00  0.00           H  
HETATM  117  H   UNL     1      18.250  -1.290  -0.990  1.00  0.00           H  
HETATM  118  H   UNL     1      19.170  -3.536  -1.497  1.00  0.00           H  
HETATM  119  H   UNL     1      19.110  -3.252   0.259  1.00  0.00           H  
HETATM  120  H   UNL     1      17.885  -4.284  -0.519  1.00  0.00           H  
HETATM  121  H   UNL     1       0.512   4.285  -1.481  1.00  0.00           H  
HETATM  122  H   UNL     1      -0.933   4.103  -0.458  1.00  0.00           H  
HETATM  123  H   UNL     1       2.554   2.405   3.665  1.00  0.00           H  
HETATM  124  H   UNL     1       3.888   2.641   2.511  1.00  0.00           H  
HETATM  125  H   UNL     1       4.246   0.675   4.034  1.00  0.00           H  
HETATM  126  H   UNL     1       2.784  -0.077   3.351  1.00  0.00           H  
HETATM  127  H   UNL     1       5.141   0.732   1.775  1.00  0.00           H  
HETATM  128  H   UNL     1       4.777  -0.826   2.231  1.00  0.00           H  
HETATM  129  H   UNL     1      -0.295   3.149   2.495  1.00  0.00           H  
CONECT    1    2   16   16   54                                       
CONECT    2    3    1   55   56                                       
CONECT    3    4    2   57   58                                       
CONECT    4    5    3   59   60                                       
CONECT    5    6    4   61   62                                       
CONECT    6    7    5   63   64                                       
CONECT    7   17    6   65   66                                       
CONECT    8    9   67   68   69                                       
CONECT    9   10    8   70   71                                       
CONECT   10   11    9   72   73                                       
CONECT   11   12   10   74   75                                       
CONECT   12   13   11   76   77                                       
CONECT   13   14   12   78   79                                       
CONECT   14   15   13   80   81                                       
CONECT   15   16   14   82   83                                       
CONECT   16    1    1   15   84                                       
CONECT   17   18    7   85   86                                       
CONECT   18   46   45   45   17                                       
CONECT   19   41   46   20   87                                       
CONECT   20   19   47   88   89                                       
CONECT   21   47   48   48   22                                       
CONECT   22   21   23   90   91                                       
CONECT   23   22   24   92   93                                       
CONECT   24   23   25   94   95                                       
CONECT   25   24   26   26   96                                       
CONECT   26   25   25   27   97                                       
CONECT   27   26   28   98   99                                       
CONECT   28   27   29   29  100                                       
CONECT   29   28   28   30  101                                       
CONECT   30   29   31  102  103                                       
CONECT   31   30   32   32  104                                       
CONECT   32   33   31   31  105                                       
CONECT   33   34   32  106  107                                       
CONECT   34   33   35   35  108                                       
CONECT   35   36   34   34  109                                       
CONECT   36   37   35  110  111                                       
CONECT   37   38   36  112  113                                       
CONECT   38   39   37  114  115                                       
CONECT   39   38   40  116  117                                       
CONECT   40   39  118  119  120                                       
CONECT   41   49   19  121  122                                       
CONECT   42   52   43  123  124                                       
CONECT   43   42   44  125  126                                       
CONECT   44   43  127  128                                            
CONECT   45   18   18                                                 
CONECT   46   19   18                                                 
CONECT   47   20   21                                                 
CONECT   48   21   21                                                 
CONECT   49   53   41                                                 
CONECT   50   53  129                                                 
CONECT   51   53   53                                                 
CONECT   52   53   42                                                 
CONECT   53   51   51   50   49                                       
CONECT   53   52                                                      
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70    9                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   10                                                      
CONECT   74   11                                                      
CONECT   75   11                                                      
CONECT   76   12                                                      
CONECT   77   12                                                      
CONECT   78   13                                                      
CONECT   79   13                                                      
CONECT   80   14                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   15                                                      
CONECT   84   16                                                      
CONECT   85   17                                                      
CONECT   86   17                                                      
CONECT   87   19                                                      
CONECT   88   20                                                      
CONECT   89   20                                                      
CONECT   90   22                                                      
CONECT   91   22                                                      
CONECT   92   23                                                      
CONECT   93   23                                                      
CONECT   94   24                                                      
CONECT   95   24                                                      
CONECT   96   25                                                      
CONECT   97   26                                                      
CONECT   98   27                                                      
CONECT   99   27                                                      
CONECT  100   28                                                      
CONECT  101   29                                                      
CONECT  102   30                                                      
CONECT  103   30                                                      
CONECT  104   31                                                      
CONECT  105   32                                                      
CONECT  106   33                                                      
CONECT  107   33                                                      
CONECT  108   34                                                      
CONECT  109   35                                                      
CONECT  110   36                                                      
CONECT  111   36                                                      
CONECT  112   37                                                      
CONECT  113   37                                                      
CONECT  114   38                                                      
CONECT  115   38                                                      
CONECT  116   39                                                      
CONECT  117   39                                                      
CONECT  118   40                                                      
CONECT  119   40                                                      
CONECT  120   40                                                      
CONECT  121   41                                                      
CONECT  122   41                                                      
CONECT  123   42                                                      
CONECT  124   42                                                      
CONECT  125   43                                                      
CONECT  126   43                                                      
CONECT  127   44                                                      
CONECT  128   44                                                      
CONECT  129   50                                                      
MASTER        0    0    0    0    0    0    0    0  129    0  129    0
END
