COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      16.896  -0.184  -0.640  1.00  0.00           C  
HETATM    2  O   UNL     1     -10.271   0.749   0.623  1.00  0.00           O  
HETATM    3  P   UNL     1     -11.283  -0.012  -0.372  1.00  0.00           P  
HETATM    4  C   UNL     1      16.225   0.672   0.403  1.00  0.00           C  
HETATM    5  O   UNL     1     -12.074   0.984  -1.128  1.00  0.00           O  
HETATM    6  P   UNL     1     -13.660  -1.701   0.159  1.00  0.00           P  
HETATM    7  C   UNL     1      17.035   1.664   1.198  1.00  0.00           C  
HETATM    8  O   UNL     1     -10.441  -0.922  -1.400  1.00  0.00           O  
HETATM    9  C   UNL     1      14.939   0.555   0.618  1.00  0.00           C  
HETATM   10  O   UNL     1     -12.275  -0.947   0.484  1.00  0.00           O  
HETATM   11  C   UNL     1      14.129  -0.437  -0.177  1.00  0.00           C  
HETATM   12  O   UNL     1     -13.353  -3.068  -0.635  1.00  0.00           O  
HETATM   13  C   UNL     1      13.385  -1.371   0.779  1.00  0.00           C  
HETATM   14  O   UNL     1     -14.422  -2.039   1.536  1.00  0.00           O  
HETATM   15  C   UNL     1      12.576  -2.363  -0.016  1.00  0.00           C  
HETATM   16  O   UNL     1     -14.513  -0.826  -0.675  1.00  0.00           O  
HETATM   17  C   UNL     1      13.210  -3.645  -0.490  1.00  0.00           C  
HETATM   18  C   UNL     1      11.321  -2.110  -0.295  1.00  0.00           C  
HETATM   19  C   UNL     1      10.727  -0.770   0.053  1.00  0.00           C  
HETATM   20  C   UNL     1      10.110  -0.144  -1.199  1.00  0.00           C  
HETATM   21  C   UNL     1       9.516   1.196  -0.851  1.00  0.00           C  
HETATM   22  C   UNL     1      10.377   2.432  -0.877  1.00  0.00           C  
HETATM   23  C   UNL     1       8.250   1.287  -0.525  1.00  0.00           C  
HETATM   24  C   UNL     1       7.423   0.038  -0.360  1.00  0.00           C  
HETATM   25  C   UNL     1       6.766   0.041   1.022  1.00  0.00           C  
HETATM   26  C   UNL     1       5.939  -1.208   1.187  1.00  0.00           C  
HETATM   27  C   UNL     1       6.584  -2.480   1.675  1.00  0.00           C  
HETATM   28  C   UNL     1       4.659  -1.189   0.907  1.00  0.00           C  
HETATM   29  C   UNL     1       4.043   0.037   0.282  1.00  0.00           C  
HETATM   30  C   UNL     1       3.311  -0.359  -1.002  1.00  0.00           C  
HETATM   31  C   UNL     1       2.695   0.867  -1.627  1.00  0.00           C  
HETATM   32  C   UNL     1       3.511   1.731  -2.553  1.00  0.00           C  
HETATM   33  C   UNL     1       1.451   1.181  -1.364  1.00  0.00           C  
HETATM   34  C   UNL     1       0.677   0.397  -0.336  1.00  0.00           C  
HETATM   35  C   UNL     1       0.090   1.357   0.701  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.684   0.573   1.730  1.00  0.00           C  
HETATM   37  C   UNL     1       0.025  -0.004   2.927  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.973   0.394   1.583  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.657   0.843   0.317  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.449  -0.323  -0.276  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.133   0.126  -1.542  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.400   0.062  -2.858  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.364   0.571  -1.499  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.047   0.770  -0.171  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.565   2.206  -0.073  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.249   2.404   1.255  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.441   2.787   2.469  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.545   2.244   1.355  1.00  0.00           C  
HETATM   49  C   UNL     1      -9.334   1.732   0.178  1.00  0.00           C  
HETATM   50  H   UNL     1      17.959   0.053  -0.676  1.00  0.00           H  
HETATM   51  H   UNL     1      16.767  -1.236  -0.384  1.00  0.00           H  
HETATM   52  H   UNL     1      16.447   0.011  -1.614  1.00  0.00           H  
HETATM   53  H   UNL     1      17.046   2.623   0.680  1.00  0.00           H  
HETATM   54  H   UNL     1      16.589   1.789   2.185  1.00  0.00           H  
HETATM   55  H   UNL     1      18.056   1.297   1.305  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.898  -1.598  -0.973  1.00  0.00           H  
HETATM   57  H   UNL     1      14.458   1.169   1.366  1.00  0.00           H  
HETATM   58  H   UNL     1      13.409   0.097  -0.797  1.00  0.00           H  
HETATM   59  H   UNL     1      14.794  -1.021  -0.813  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.798  -3.690  -0.146  1.00  0.00           H  
HETATM   61  H   UNL     1      14.106  -1.905   1.400  1.00  0.00           H  
HETATM   62  H   UNL     1      12.721  -0.787   1.415  1.00  0.00           H  
HETATM   63  H   UNL     1     -15.267  -2.495   1.416  1.00  0.00           H  
HETATM   64  H   UNL     1      13.075  -4.418   0.266  1.00  0.00           H  
HETATM   65  H   UNL     1      12.738  -3.961  -1.421  1.00  0.00           H  
HETATM   66  H   UNL     1      14.274  -3.484  -0.659  1.00  0.00           H  
HETATM   67  H   UNL     1      10.712  -2.862  -0.775  1.00  0.00           H  
HETATM   68  H   UNL     1       9.955  -0.900   0.812  1.00  0.00           H  
HETATM   69  H   UNL     1      11.508  -0.115   0.439  1.00  0.00           H  
HETATM   70  H   UNL     1      10.881  -0.014  -1.958  1.00  0.00           H  
HETATM   71  H   UNL     1       9.328  -0.799  -1.585  1.00  0.00           H  
HETATM   72  H   UNL     1      10.342   2.879  -1.871  1.00  0.00           H  
HETATM   73  H   UNL     1      10.008   3.148  -0.144  1.00  0.00           H  
HETATM   74  H   UNL     1      11.406   2.163  -0.637  1.00  0.00           H  
HETATM   75  H   UNL     1       7.799   2.257  -0.375  1.00  0.00           H  
HETATM   76  H   UNL     1       6.651   0.008  -1.129  1.00  0.00           H  
HETATM   77  H   UNL     1       8.065  -0.838  -0.455  1.00  0.00           H  
HETATM   78  H   UNL     1       7.537   0.070   1.791  1.00  0.00           H  
HETATM   79  H   UNL     1       6.124   0.917   1.117  1.00  0.00           H  
HETATM   80  H   UNL     1       6.531  -2.520   2.763  1.00  0.00           H  
HETATM   81  H   UNL     1       6.060  -3.338   1.254  1.00  0.00           H  
HETATM   82  H   UNL     1       7.627  -2.502   1.361  1.00  0.00           H  
HETATM   83  H   UNL     1       4.046  -2.050   1.124  1.00  0.00           H  
HETATM   84  H   UNL     1       3.336   0.484   0.981  1.00  0.00           H  
HETATM   85  H   UNL     1       4.827   0.757   0.047  1.00  0.00           H  
HETATM   86  H   UNL     1       4.018  -0.806  -1.700  1.00  0.00           H  
HETATM   87  H   UNL     1       2.528  -1.079  -0.766  1.00  0.00           H  
HETATM   88  H   UNL     1       3.397   1.375  -3.577  1.00  0.00           H  
HETATM   89  H   UNL     1       3.165   2.763  -2.486  1.00  0.00           H  
HETATM   90  H   UNL     1       4.562   1.681  -2.266  1.00  0.00           H  
HETATM   91  H   UNL     1       0.979   2.001  -1.885  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.131  -0.147  -0.826  1.00  0.00           H  
HETATM   93  H   UNL     1       1.343  -0.310   0.159  1.00  0.00           H  
HETATM   94  H   UNL     1       0.898   1.901   1.191  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.576   2.064   0.206  1.00  0.00           H  
HETATM   96  H   UNL     1       0.016   0.722   3.740  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.483  -0.914   3.247  1.00  0.00           H  
HETATM   98  H   UNL     1       1.056  -0.239   2.661  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.546  -0.075   2.368  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.336   1.666   0.543  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.908   1.177  -0.402  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.770  -1.146  -0.502  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.198  -0.657   0.442  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.574  -0.908  -3.324  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.764   0.852  -3.515  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.332   0.196  -2.685  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.889   0.797  -2.415  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.883   0.075  -0.085  1.00  0.00           H  
HETATM  109  H   UNL     1      -5.337   0.584   0.635  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.730   2.900  -0.159  1.00  0.00           H  
HETATM  111  H   UNL     1      -7.276   2.391  -0.879  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.386   3.873   2.541  1.00  0.00           H  
HETATM  113  H   UNL     1      -6.918   2.387   3.363  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.435   2.377   2.379  1.00  0.00           H  
HETATM  115  H   UNL     1      -9.048   2.479   2.282  1.00  0.00           H  
HETATM  116  H   UNL     1      -8.655   1.285  -0.548  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.870   2.560  -0.288  1.00  0.00           H  
CONECT    1    4   50   51   52                                       
CONECT    2   49    3                                                 
CONECT    3    2    5    5    8                                       
CONECT    3   10                                                      
CONECT    4    1    9    9    7                                       
CONECT    5    3    3                                                 
CONECT    6   16   16   10   12                                       
CONECT    6   14                                                      
CONECT    7    4   53   54   55                                       
CONECT    8    3   56                                                 
CONECT    9    4    4   11   57                                       
CONECT   10    3    6                                                 
CONECT   11    9   13   58   59                                       
CONECT   12    6   60                                                 
CONECT   13   11   15   61   62                                       
CONECT   14    6   63                                                 
CONECT   15   13   17   18   18                                       
CONECT   16    6    6                                                 
CONECT   17   15   64   65   66                                       
CONECT   18   15   15   19   67                                       
CONECT   19   18   20   68   69                                       
CONECT   20   19   21   70   71                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21   72   73   74                                       
CONECT   23   21   21   24   75                                       
CONECT   24   23   25   76   77                                       
CONECT   25   24   26   78   79                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26   80   81   82                                       
CONECT   28   26   26   29   83                                       
CONECT   29   28   30   84   85                                       
CONECT   30   29   31   86   87                                       
CONECT   31   30   32   33   33                                       
CONECT   32   31   88   89   90                                       
CONECT   33   31   31   34   91                                       
CONECT   34   33   35   92   93                                       
CONECT   35   34   36   94   95                                       
CONECT   36   35   38   38   37                                       
CONECT   37   36   96   97   98                                       
CONECT   38   36   36   39   99                                       
CONECT   39   38   40  100  101                                       
CONECT   40   39   41  102  103                                       
CONECT   41   40   42   43   43                                       
CONECT   42   41  104  105  106                                       
CONECT   43   41   41   44  107                                       
CONECT   44   43   45  108  109                                       
CONECT   45   44   46  110  111                                       
CONECT   46   45   47   48   48                                       
CONECT   47   46  112  113  114                                       
CONECT   48   46   46   49  115                                       
CONECT   49    2   48  116  117                                       
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   34                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   37                                                      
CONECT   99   38                                                      
CONECT  100   39                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   40                                                      
CONECT  104   42                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   44                                                      
CONECT  109   44                                                      
CONECT  110   45                                                      
CONECT  111   45                                                      
CONECT  112   47                                                      
CONECT  113   47                                                      
CONECT  114   47                                                      
CONECT  115   48                                                      
CONECT  116   49                                                      
CONECT  117   49                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
