COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      13.361   6.663   1.521  1.00  0.00           O  
HETATM    2  P   UNL     1      14.293   5.897   2.588  1.00  0.00           P  
HETATM    3  O   UNL     1      13.834   6.211   3.959  1.00  0.00           O  
HETATM    4  O   UNL     1      14.196   4.309   2.341  1.00  0.00           O  
HETATM    5  C   UNL     1      16.013   6.437   2.387  1.00  0.00           C  
HETATM    6  C   UNL     1      16.485   7.521   3.101  1.00  0.00           C  
HETATM    7  C   UNL     1      17.796   7.933   2.949  1.00  0.00           C  
HETATM    8  C   UNL     1      18.637   7.262   2.081  1.00  0.00           C  
HETATM    9  C   UNL     1      18.170   6.178   1.364  1.00  0.00           C  
HETATM   10  C   UNL     1      16.857   5.758   1.520  1.00  0.00           C  
HETATM   11  O   UNL     1      16.395   4.692   0.815  1.00  0.00           O  
HETATM   12  C   UNL     1      17.316   4.050  -0.068  1.00  0.00           C  
HETATM   13  C   UNL     1      16.630   2.898  -0.758  1.00  0.00           C  
HETATM   14  O   UNL     1      15.468   2.652  -0.516  1.00  0.00           O  
HETATM   15  N   UNL     1      17.310   2.142  -1.643  1.00  0.00           N  
HETATM   16  C   UNL     1      16.704   1.015  -2.211  1.00  0.00           C  
HETATM   17  C   UNL     1      15.349   1.029  -2.501  1.00  0.00           C  
HETATM   18  C   UNL     1      17.463  -0.116  -2.488  1.00  0.00           C  
HETATM   19  C   UNL     1      16.869  -1.231  -3.049  1.00  0.00           C  
HETATM   20  C   UNL     1      15.520  -1.229  -3.337  1.00  0.00           C  
HETATM   21  C   UNL     1      14.750  -0.097  -3.067  1.00  0.00           C  
HETATM   22  C   UNL     1      13.304  -0.092  -3.375  1.00  0.00           C  
HETATM   23  O   UNL     1      12.636   0.896  -3.138  1.00  0.00           O  
HETATM   24  N   UNL     1      12.727  -1.183  -3.917  1.00  0.00           N  
HETATM   25  C   UNL     1      11.294  -1.178  -4.221  1.00  0.00           C  
HETATM   26  C   UNL     1      10.896  -2.527  -4.824  1.00  0.00           C  
HETATM   27  O   UNL     1      11.071  -3.555  -3.847  1.00  0.00           O  
HETATM   28  C   UNL     1      10.726  -4.862  -4.311  1.00  0.00           C  
HETATM   29  C   UNL     1      10.952  -5.877  -3.189  1.00  0.00           C  
HETATM   30  O   UNL     1      10.051  -5.607  -2.114  1.00  0.00           O  
HETATM   31  C   UNL     1      10.180  -6.504  -1.008  1.00  0.00           C  
HETATM   32  C   UNL     1       9.172  -6.122   0.078  1.00  0.00           C  
HETATM   33  O   UNL     1       7.844  -6.318  -0.414  1.00  0.00           O  
HETATM   34  C   UNL     1       6.821  -5.989   0.527  1.00  0.00           C  
HETATM   35  C   UNL     1       5.449  -6.235  -0.104  1.00  0.00           C  
HETATM   36  C   UNL     1       4.370  -5.889   0.889  1.00  0.00           C  
HETATM   37  O   UNL     1       4.668  -5.485   1.993  1.00  0.00           O  
HETATM   38  N   UNL     1       3.073  -6.028   0.550  1.00  0.00           N  
HETATM   39  C   UNL     1       2.023  -5.691   1.516  1.00  0.00           C  
HETATM   40  C   UNL     1       0.651  -5.938   0.884  1.00  0.00           C  
HETATM   41  N   UNL     1      -0.398  -5.601   1.850  1.00  0.00           N  
HETATM   42  H   UNL     1      13.605   6.503   0.599  1.00  0.00           H  
HETATM   43  H   UNL     1      13.303   3.950   2.432  1.00  0.00           H  
HETATM   44  H   UNL     1      15.829   8.047   3.780  1.00  0.00           H  
HETATM   45  H   UNL     1      18.163   8.781   3.508  1.00  0.00           H  
HETATM   46  H   UNL     1      19.661   7.586   1.963  1.00  0.00           H  
HETATM   47  H   UNL     1      18.827   5.654   0.686  1.00  0.00           H  
HETATM   48  H   UNL     1      17.663   4.765  -0.814  1.00  0.00           H  
HETATM   49  H   UNL     1      18.167   3.677   0.502  1.00  0.00           H  
HETATM   50  H   UNL     1      18.218   2.379  -1.887  1.00  0.00           H  
HETATM   51  H   UNL     1      14.759   1.908  -2.290  1.00  0.00           H  
HETATM   52  H   UNL     1      18.520  -0.123  -2.265  1.00  0.00           H  
HETATM   53  H   UNL     1      17.464  -2.107  -3.262  1.00  0.00           H  
HETATM   54  H   UNL     1      15.060  -2.103  -3.776  1.00  0.00           H  
HETATM   55  H   UNL     1      13.260  -1.971  -4.105  1.00  0.00           H  
HETATM   56  H   UNL     1      10.728  -1.008  -3.305  1.00  0.00           H  
HETATM   57  H   UNL     1      11.076  -0.383  -4.935  1.00  0.00           H  
HETATM   58  H   UNL     1       9.851  -2.493  -5.132  1.00  0.00           H  
HETATM   59  H   UNL     1      11.524  -2.737  -5.690  1.00  0.00           H  
HETATM   60  H   UNL     1       9.678  -4.877  -4.609  1.00  0.00           H  
HETATM   61  H   UNL     1      11.351  -5.121  -5.166  1.00  0.00           H  
HETATM   62  H   UNL     1      10.774  -6.884  -3.568  1.00  0.00           H  
HETATM   63  H   UNL     1      11.979  -5.800  -2.830  1.00  0.00           H  
HETATM   64  H   UNL     1       9.986  -7.523  -1.342  1.00  0.00           H  
HETATM   65  H   UNL     1      11.190  -6.440  -0.604  1.00  0.00           H  
HETATM   66  H   UNL     1       9.329  -6.749   0.956  1.00  0.00           H  
HETATM   67  H   UNL     1       9.308  -5.076   0.349  1.00  0.00           H  
HETATM   68  H   UNL     1       6.930  -6.613   1.414  1.00  0.00           H  
HETATM   69  H   UNL     1       6.909  -4.939   0.808  1.00  0.00           H  
HETATM   70  H   UNL     1       5.340  -5.612  -0.992  1.00  0.00           H  
HETATM   71  H   UNL     1       5.361  -7.285  -0.384  1.00  0.00           H  
HETATM   72  H   UNL     1       2.834  -6.351  -0.333  1.00  0.00           H  
HETATM   73  H   UNL     1       2.132  -6.315   2.403  1.00  0.00           H  
HETATM   74  H   UNL     1       2.111  -4.641   1.796  1.00  0.00           H  
HETATM   75  H   UNL     1       0.543  -5.314  -0.003  1.00  0.00           H  
HETATM   76  H   UNL     1       0.564  -6.987   0.604  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.159  -5.277   2.733  1.00  0.00           H  
HETATM   78  C   UNL     1      -1.695  -5.740   1.511  1.00  0.00           C  
HETATM   79  C   UNL     1      -2.774  -5.393   2.504  1.00  0.00           C  
HETATM   80  O   UNL     1      -1.993  -6.144   0.407  1.00  0.00           O  
HETATM   81  C   UNL     1      -4.146  -5.639   1.873  1.00  0.00           C  
HETATM   82  O   UNL     1      -5.169  -5.311   2.814  1.00  0.00           O  
HETATM   83  C   UNL     1      -6.497  -5.506   2.322  1.00  0.00           C  
HETATM   84  C   UNL     1      -7.505  -5.125   3.408  1.00  0.00           C  
HETATM   85  O   UNL     1      -7.405  -3.726   3.681  1.00  0.00           O  
HETATM   86  C   UNL     1      -8.309  -3.263   4.686  1.00  0.00           C  
HETATM   87  C   UNL     1      -8.115  -1.760   4.894  1.00  0.00           C  
HETATM   88  O   UNL     1      -8.485  -1.063   3.704  1.00  0.00           O  
HETATM   89  C   UNL     1      -8.341   0.356   3.792  1.00  0.00           C  
HETATM   90  C   UNL     1      -8.763   0.996   2.468  1.00  0.00           C  
HETATM   91  N   UNL     1     -10.193   0.765   2.249  1.00  0.00           N  
HETATM   92  H   UNL     1      -2.665  -6.016   3.391  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.686  -4.343   2.784  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.255  -5.016   0.985  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.234  -6.689   1.592  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.654  -4.880   1.444  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.633  -6.553   2.051  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.513  -5.357   3.066  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.291  -5.688   4.316  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.334  -3.457   4.370  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.111  -3.788   5.621  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.740  -1.424   5.722  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.069  -1.557   5.124  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.970   0.736   4.597  1.00  0.00           H  
HETATM  105  H   UNL     1      -7.299   0.603   3.999  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.570   2.068   2.504  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.194   0.551   1.652  1.00  0.00           H  
HETATM  108  H   UNL     1     -10.710   0.269   2.903  1.00  0.00           H  
HETATM  109  C   UNL     1     -10.790   1.241   1.138  1.00  0.00           C  
HETATM  110  C   UNL     1     -12.231   1.008   0.918  1.00  0.00           C  
HETATM  111  C   UNL     1     -12.852   1.502  -0.233  1.00  0.00           C  
HETATM  112  C   UNL     1     -14.196   1.282  -0.437  1.00  0.00           C  
HETATM  113  C   UNL     1     -14.936   0.571   0.502  1.00  0.00           C  
HETATM  114  C   UNL     1     -14.321   0.079   1.650  1.00  0.00           C  
HETATM  115  C   UNL     1     -12.976   0.290   1.856  1.00  0.00           C  
HETATM  116  O   UNL     1     -10.142   1.862   0.319  1.00  0.00           O  
HETATM  117  N   UNL     1     -16.297   0.351   0.294  1.00  0.00           N  
HETATM  118  C   UNL     1     -17.041   1.280  -0.338  1.00  0.00           C  
HETATM  119  C   UNL     1     -18.484   0.995  -0.666  1.00  0.00           C  
HETATM  120  O   UNL     1     -19.053   2.125  -1.331  1.00  0.00           O  
HETATM  121  O   UNL     1     -16.549   2.346  -0.643  1.00  0.00           O  
HETATM  122  C   UNL     1     -20.358   2.031  -1.698  1.00  0.00           C  
HETATM  123  C   UNL     1     -21.076   0.875  -1.425  1.00  0.00           C  
HETATM  124  C   UNL     1     -22.402   0.782  -1.799  1.00  0.00           C  
HETATM  125  C   UNL     1     -23.015   1.840  -2.446  1.00  0.00           C  
HETATM  126  C   UNL     1     -22.302   2.992  -2.720  1.00  0.00           C  
HETATM  127  C   UNL     1     -20.977   3.092  -2.341  1.00  0.00           C  
HETATM  128  P   UNL     1     -20.042   4.605  -2.701  1.00  0.00           P  
HETATM  129  O   UNL     1     -19.397   4.483  -4.027  1.00  0.00           O  
HETATM  130  O   UNL     1     -21.043   5.866  -2.705  1.00  0.00           O  
HETATM  131  O   UNL     1     -18.914   4.819  -1.573  1.00  0.00           O  
HETATM  132  H   UNL     1     -12.278   2.054  -0.962  1.00  0.00           H  
HETATM  133  H   UNL     1     -14.676   1.663  -1.326  1.00  0.00           H  
HETATM  134  H   UNL     1     -14.899  -0.473   2.377  1.00  0.00           H  
HETATM  135  H   UNL     1     -12.500  -0.093   2.747  1.00  0.00           H  
HETATM  136  H   UNL     1     -16.708  -0.471   0.603  1.00  0.00           H  
HETATM  137  H   UNL     1     -18.543   0.123  -1.318  1.00  0.00           H  
HETATM  138  H   UNL     1     -19.034   0.799   0.254  1.00  0.00           H  
HETATM  139  H   UNL     1     -20.598   0.049  -0.920  1.00  0.00           H  
HETATM  140  H   UNL     1     -22.961  -0.117  -1.587  1.00  0.00           H  
HETATM  141  H   UNL     1     -24.052   1.765  -2.738  1.00  0.00           H  
HETATM  142  H   UNL     1     -22.783   3.816  -3.225  1.00  0.00           H  
HETATM  143  H   UNL     1     -20.611   6.711  -2.891  1.00  0.00           H  
HETATM  144  H   UNL     1     -19.266   4.908  -0.676  1.00  0.00           H  
CONECT    1    2   42                                                 
CONECT    2    3    3    4    5                                       
CONECT    2    1                                                      
CONECT    3    2    2                                                 
CONECT    4    2   43                                                 
CONECT    5   10    2    6    6                                       
CONECT    6    5    5    7   44                                       
CONECT    7    8    8    6   45                                       
CONECT    8    9    7    7   46                                       
CONECT    9   10   10    8   47                                       
CONECT   10   11    9    9    5                                       
CONECT   11   12   10                                                 
CONECT   12   13   11   48   49                                       
CONECT   13   14   14   12   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   50                                            
CONECT   16   18   15   17   17                                       
CONECT   17   16   16   21   51                                       
CONECT   18   19   19   16   52                                       
CONECT   19   18   18   20   53                                       
CONECT   20   19   21   21   54                                       
CONECT   21   20   20   17   22                                       
CONECT   22   21   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   55                                            
CONECT   25   24   26   56   57                                       
CONECT   26   25   27   58   59                                       
CONECT   27   26   28                                                 
CONECT   28   29   27   60   61                                       
CONECT   29   30   28   62   63                                       
CONECT   30   31   29                                                 
CONECT   31   32   30   64   65                                       
CONECT   32   31   33   66   67                                       
CONECT   33   32   34                                                 
CONECT   34   33   35   68   69                                       
CONECT   35   34   36   70   71                                       
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   72                                            
CONECT   39   38   40   73   74                                       
CONECT   40   39   41   75   76                                       
CONECT   41   40   77   78                                            
CONECT   42    1                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   41   79   80   80                                       
CONECT   79   78   81   92   93                                       
CONECT   80   78   78                                                 
CONECT   81   79   82   94   95                                       
CONECT   82   81   83                                                 
CONECT   83   82   84   96   97                                       
CONECT   84   83   85   98   99                                       
CONECT   85   84   86                                                 
CONECT   86   85   87  100  101                                       
CONECT   87   86   88  102  103                                       
CONECT   88   87   89                                                 
CONECT   89   88   90  104  105                                       
CONECT   90   89   91  106  107                                       
CONECT   91   90  108  109                                            
CONECT   92   79                                                      
CONECT   93   79                                                      
CONECT   94   81                                                      
CONECT   95   81                                                      
CONECT   96   83                                                      
CONECT   97   83                                                      
CONECT   98   84                                                      
CONECT   99   84                                                      
CONECT  100   86                                                      
CONECT  101   86                                                      
CONECT  102   87                                                      
CONECT  103   87                                                      
CONECT  104   89                                                      
CONECT  105   89                                                      
CONECT  106   90                                                      
CONECT  107   90                                                      
CONECT  108   91                                                      
CONECT  109   91  110  116  116                                       
CONECT  110  109  111  115  115                                       
CONECT  111  110  112  112  132                                       
CONECT  112  111  111  113  133                                       
CONECT  113  112  114  114  117                                       
CONECT  114  113  113  115  134                                       
CONECT  115  114  110  110  135                                       
CONECT  116  109  109                                                 
CONECT  117  113  118  136                                            
CONECT  118  117  119  121  121                                       
CONECT  119  118  120  137  138                                       
CONECT  120  119  122                                                 
CONECT  121  118  118                                                 
CONECT  122  120  123  127  127                                       
CONECT  123  122  124  124  139                                       
CONECT  124  123  123  125  140                                       
CONECT  125  124  126  126  141                                       
CONECT  126  125  125  127  142                                       
CONECT  127  126  122  122  128                                       
CONECT  128  127  129  129  130                                       
CONECT  128  131                                                      
CONECT  129  128  128                                                 
CONECT  130  128  143                                                 
CONECT  131  128  144                                                 
CONECT  132  111                                                      
CONECT  133  112                                                      
CONECT  134  114                                                      
CONECT  135  115                                                      
CONECT  136  117                                                      
CONECT  137  119                                                      
CONECT  138  119                                                      
CONECT  139  123                                                      
CONECT  140  124                                                      
CONECT  141  125                                                      
CONECT  142  126                                                      
CONECT  143  130                                                      
CONECT  144  131                                                      
MASTER        0    0    0    0    0    0    0    0  144    0  144    0
END
